*HEADER    TRANSFERASE                             24-JAN-01   1HZE              
*TITLE     SOLUTION STRUCTURE OF THE N-TERMINAL DOMAIN OF RIBOFLAVIN             
*TITLE    2 SYNTHASE FROM E. COLI                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: RIBOFLAVIN SYNTHASE ALPHA CHAIN;                           
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: N-TERMINAL DOMAIN, RESIDUES 1-97;                          
*COMPND   5 EC: 2.5.1.9;                                                         
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA                                   
*KEYWDS    GREEK-KEY-BARREL                                                      
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    V.TRUFFAULT, M.COLES, T.DIERCKS, K.ABELMANN, S.EBERHARDT,             
*AUTHOR   2 H.LUETTGEN, A.BACHER, H.KESSLER                                      
*REVDAT   1   05-SEP-01 1HZE    0                                                


assign(segid A and resid   2 and name HN   )(segid A and resid   2 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid   2 and name HN   )(segid A and resid   2 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid   2 and name HN   )(segid A and resid   2 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid   3 and name HB   )(segid A and resid   3 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid   3 and name HN   )(segid A and resid   3 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid   3 and name HN   )(segid A and resid   3 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid   3 and name HN   )(segid A and resid   3 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid   4 and name HN   )(segid A and resid   4 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid   5 and name HB   )(segid A and resid   5 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid   5 and name HN   )(segid A and resid   5 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid   5 and name HN   )(segid A and resid   5 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid   5 and name HN   )(segid A and resid   5 and name HD1+ ) 0.00 0.00  5.8
assign(segid A and resid   5 and name HN   )(segid A and resid   5 and name HG11 ) 0.00 0.00  4.0
assign(segid A and resid   5 and name HN   )(segid A and resid   5 and name HG12 ) 0.00 0.00  4.0

assign(segid A and resid   6 and name HA   )(segid A and resid   6 and name HG1+ ) 0.00 0.00  3.5
assign(segid A and resid   6 and name HA   )(segid A and resid   6 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid   6 and name HA   )(segid A and resid   6 and name HN   ) 3.20 0.60  1.0
assign(segid A and resid   6 and name HN   )(segid A and resid   6 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid   6 and name HN   )(segid A and resid   6 and name HG++ ) 0.00 0.00  4.2

assign(segid A and resid   7 and name HN   )(segid A and resid   7 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid   7 and name HN   )(segid A and resid   7 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid   7 and name HN   )(segid A and resid   7 and name HG+  ) 0.00 0.00  3.5

assign(segid A and resid   8 and name HN   )(segid A and resid   8 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid   9 and name HA   )(segid A and resid   9 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid   9 and name HA   )(segid A and resid   9 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid   9 and name HA   )(segid A and resid   9 and name HN   ) 3.20 0.60  1.0
assign(segid A and resid   9 and name HN   )(segid A and resid   9 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  10 and name HN   )(segid A and resid  10 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  10 and name HN   )(segid A and resid  10 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  11 and name HA   )(segid A and resid  11 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid  11 and name HA   )(segid A and resid  11 and name HG1  ) 0.00 0.00  3.2
assign(segid A and resid  11 and name HA   )(segid A and resid  11 and name HG2  ) 0.00 0.00  3.2
assign(segid A and resid  11 and name HA   )(segid A and resid  11 and name HN   ) 3.20 0.60  1.0
assign(segid A and resid  11 and name HB1  )(segid A and resid  11 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  11 and name HB1  )(segid A and resid  11 and name HD+  ) 0.00 0.00  4.0
assign(segid A and resid  11 and name HB1  )(segid A and resid  11 and name HE+  ) 0.00 0.00  4.8
assign(segid A and resid  11 and name HB1  )(segid A and resid  11 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  11 and name HB2  )(segid A and resid  11 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  11 and name HB2  )(segid A and resid  11 and name HD+  ) 0.00 0.00  3.5
assign(segid A and resid  11 and name HB2  )(segid A and resid  11 and name HE+  ) 0.00 0.00  4.8
assign(segid A and resid  11 and name HB2  )(segid A and resid  11 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  12 and name HD++ )(segid A and resid  12 and name HA   ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  12 and name HB1  ) 0.00 0.00  4.2
assign(segid A and resid  12 and name HD++ )(segid A and resid  12 and name HB2  ) 0.00 0.00  4.2
assign(segid A and resid  12 and name HN   )(segid A and resid  12 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  12 and name HN   )(segid A and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  12 and name HN   )(segid A and resid  12 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  13 and name HA   )(segid A and resid  13 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  13 and name HG2+ )(segid A and resid  13 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  13 and name HN   )(segid A and resid  13 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  13 and name HN   )(segid A and resid  13 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  13 and name HN   )(segid A and resid  13 and name HG1+ ) 0.00 0.00  3.5

assign(segid A and resid  14 and name HN   )(segid A and resid  14 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  15 and name HA   )(segid A and resid  15 and name HB   ) 3.20 0.50  1.0
assign(segid A and resid  15 and name HN   )(segid A and resid  15 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  15 and name HN   )(segid A and resid  15 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  15 and name HN   )(segid A and resid  15 and name HD1+ ) 0.00 0.00  5.8
assign(segid A and resid  15 and name HN   )(segid A and resid  15 and name HG1+ ) 0.00 0.00  4.8

assign(segid A and resid  16 and name HN   )(segid A and resid  16 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  16 and name HN   )(segid A and resid  16 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  17 and name HN   )(segid A and resid  17 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  17 and name HN   )(segid A and resid  17 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  17 and name HN   )(segid A and resid  17 and name HB+  ) 0.00 0.00  4.0

assign(segid A and resid  18 and name HE+  )(segid A and resid  18 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  18 and name HN   )(segid A and resid  18 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  18 and name HN   )(segid A and resid  18 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  18 and name HN   )(segid A and resid  18 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  18 and name HN   )(segid A and resid  18 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid  18 and name HN   )(segid A and resid  18 and name HG+  ) 0.00 0.00  4.0

assign(segid A and resid  21 and name HN   )(segid A and resid  21 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  22 and name HE   )(segid A and resid  22 and name HD1  ) 3.20 0.50  1.0
assign(segid A and resid  22 and name HE   )(segid A and resid  22 and name HD2  ) 3.20 0.50  1.0
assign(segid A and resid  22 and name HE   )(segid A and resid  22 and name HG+  ) 0.00 0.00  3.5
assign(segid A and resid  22 and name HN   )(segid A and resid  22 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  22 and name HN   )(segid A and resid  22 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  23 and name HN   )(segid A and resid  23 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  23 and name HN   )(segid A and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  23 and name HN   )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  24 and name HD2  )(segid A and resid  24 and name HA    ) 0.00 0.00  3.2
assign(segid A and resid  24 and name HN   )(segid A and resid  24 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  24 and name HN   )(segid A and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HN   )(segid A and resid  24 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  25 and name HA   )(segid A and resid  25 and name HB   ) 3.00 0.30  0.2
assign(segid A and resid  25 and name HA   )(segid A and resid  25 and name HG1+ ) 0.00 0.00  3.5
assign(segid A and resid  25 and name HA   )(segid A and resid  25 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  25 and name HG1+ )(segid A and resid  25 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  25 and name HN   )(segid A and resid  25 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  25 and name HN   )(segid A and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  25 and name HN   )(segid A and resid  25 and name HG++ ) 0.00 0.00  4.7

assign(segid A and resid  26 and name HA   )(segid A and resid  26 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HA   )(segid A and resid  26 and name HG++ ) 0.00 0.00  4.2
assign(segid A and resid  26 and name HB   )(segid A and resid  26 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HB   )(segid A and resid  26 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  26 and name HG2+ )(segid A and resid  26 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  26 and name HN   )(segid A and resid  26 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  27 and name HA   )(segid A and resid  27 and name HB1  ) 3.20 0.50  1.0
assign(segid A and resid  27 and name HA   )(segid A and resid  27 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  27 and name HN   )(segid A and resid  27 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  27 and name HN   )(segid A and resid  27 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  27 and name HN   )(segid A and resid  27 and name HB2  ) 0.00 0.00  2.7

assign(segid A and resid  28 and name HA   )(segid A and resid  28 and name HB1  ) 3.20 0.50  1.0
assign(segid A and resid  28 and name HA   )(segid A and resid  28 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HN   )(segid A and resid  28 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  28 and name HN   )(segid A and resid  28 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HN   )(segid A and resid  28 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HN   )(segid A and resid  28 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  29 and name HA   )(segid A and resid  29 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  29 and name HA   )(segid A and resid  29 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  29 and name HA   )(segid A and resid  29 and name HD+  ) 0.00 0.00  4.0

assign(segid A and resid  30 and name HN   )(segid A and resid  30 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  30 and name HN   )(segid A and resid  30 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  31 and name HD2  )(segid A and resid  31 and name HB1   ) 0.00 0.00  3.2
assign(segid A and resid  31 and name HD2  )(segid A and resid  31 and name HB2   ) 0.00 0.00  3.2
assign(segid A and resid  31 and name HN   )(segid A and resid  31 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  31 and name HN   )(segid A and resid  31 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  31 and name HN   )(segid A and resid  31 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  32 and name HG+  )(segid A and resid  32 and name HN   ) 0.00 0.00  3.5
assign(segid A and resid  32 and name HN   )(segid A and resid  32 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  32 and name HN   )(segid A and resid  32 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  32 and name HN   )(segid A and resid  32 and name HG+  ) 0.00 0.00  3.5
assign(segid A and resid  32 and name HN   )(segid A and resid  32 and name HG+  ) 0.00 0.00  4.0

assign(segid A and resid  33 and name HD++ )(segid A and resid  33 and name HG   ) 0.00 0.00  4.2
assign(segid A and resid  33 and name HD++ )(segid A and resid  33 and name HN   ) 0.00 0.00  4.7
assign(segid A and resid  33 and name HG   )(segid A and resid  33 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  33 and name HN   )(segid A and resid  33 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  33 and name HN   )(segid A and resid  33 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  33 and name HN   )(segid A and resid  33 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  33 and name HN   )(segid A and resid  33 and name HG   ) 0.00 0.00  2.7

assign(segid A and resid  34 and name HN   )(segid A and resid  34 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  34 and name HN   )(segid A and resid  34 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  35 and name HN   )(segid A and resid  35 and name HA+  ) 0.00 0.00  4.8

assign(segid A and resid  36 and name HA   )(segid A and resid  36 and name HN   ) 3.20 0.60  1.0
assign(segid A and resid  36 and name HN   )(segid A and resid  36 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  36 and name HN   )(segid A and resid  36 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  36 and name HN   )(segid A and resid  36 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  37 and name HN   )(segid A and resid  37 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  37 and name HN   )(segid A and resid  37 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  37 and name HN   )(segid A and resid  37 and name HG+  ) 0.00 0.00  3.5

assign(segid A and resid  38 and name HN   )(segid A and resid  38 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  38 and name HN   )(segid A and resid  38 and name HB   ) 0.00 0.00  4.0

assign(segid A and resid  40 and name HN   )(segid A and resid  40 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  40 and name HN   )(segid A and resid  40 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  41 and name HA   )(segid A and resid  41 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  41 and name HA   )(segid A and resid  41 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  41 and name HN   )(segid A and resid  41 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  41 and name HN   )(segid A and resid  41 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  41 and name HN   )(segid A and resid  41 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  42 and name HN   )(segid A and resid  42 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  42 and name HN   )(segid A and resid  42 and name HB   ) 0.00 0.00  3.2

assign(segid A and resid  43 and name HN   )(segid A and resid  43 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  43 and name HN   )(segid A and resid  43 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  44 and name HN   )(segid A and resid  44 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  44 and name HN   )(segid A and resid  44 and name HD1  ) 0.00 0.00  3.2

assign(segid A and resid  45 and name HA   )(segid A and resid  45 and name HB1  ) 3.20 0.50  1.0
assign(segid A and resid  45 and name HA   )(segid A and resid  45 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  45 and name HD21 )(segid A and resid  45 and name HA   ) 4.00 0.80  1.0
assign(segid A and resid  45 and name HD21 )(segid A and resid  45 and name HA   ) 4.00 0.80  1.0
assign(segid A and resid  45 and name HD21 )(segid A and resid  45 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  45 and name HN   )(segid A and resid  45 and name HA   ) 0.00 0.00  2.7

assign(segid A and resid  46 and name HN   )(segid A and resid  46 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid  47 and name HB1  )(segid A and resid  47 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  47 and name HB2  )(segid A and resid  47 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  47 and name HN   )(segid A and resid  47 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  48 and name HN   )(segid A and resid  48 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  49 and name HA   )(segid A and resid  49 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  49 and name HN   )(segid A and resid  49 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  49 and name HN   )(segid A and resid  49 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  49 and name HN   )(segid A and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid A and resid  50 and name HA   )(segid A and resid  50 and name HB   ) 3.20 0.50  1.0
assign(segid A and resid  50 and name HA   )(segid A and resid  50 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  50 and name HN   )(segid A and resid  50 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  50 and name HN   )(segid A and resid  50 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  50 and name HN   )(segid A and resid  50 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  51 and name HA   )(segid A and resid  51 and name HB   ) 3.20 0.50  1.0
assign(segid A and resid  51 and name HA   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  3.5
assign(segid A and resid  51 and name HA   )(segid A and resid  51 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  51 and name HN   )(segid A and resid  51 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  51 and name HN   )(segid A and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  51 and name HN   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  51 and name HN   )(segid A and resid  51 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  52 and name HA   )(segid A and resid  52 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  52 and name HG2+ )(segid A and resid  52 and name HN   ) 0.00 0.00  3.5
assign(segid A and resid  52 and name HN   )(segid A and resid  52 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  52 and name HN   )(segid A and resid  52 and name HB   ) 0.00 0.00  4.0

assign(segid A and resid  53 and name HA   )(segid A and resid  53 and name HN   ) 3.20 0.60  1.0
assign(segid A and resid  53 and name HG+  )(segid A and resid  53 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  53 and name HN   )(segid A and resid  53 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  53 and name HN   )(segid A and resid  53 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  54 and name HA   )(segid A and resid  54 and name HB   ) 3.20 0.50  1.0
assign(segid A and resid  54 and name HD1+  )(segid A and resid  54 and name HB  ) 0.00 0.00  3.5  
assign(segid A and resid  54 and name HG2+ )(segid A and resid  54 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  54 and name HN   )(segid A and resid  54 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  54 and name HN   )(segid A and resid  54 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  54 and name HN   )(segid A and resid  54 and name HD1+ ) 0.00 0.00  4.8
assign(segid A and resid  54 and name HN   )(segid A and resid  54 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  54 and name HN   )(segid A and resid  54 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  55 and name HN   )(segid A and resid  55 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  55 and name HN   )(segid A and resid  55 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HN   )(segid A and resid  55 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  56 and name HN   )(segid A and resid  56 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid  57 and name HA   )(segid A and resid  57 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  57 and name HA   )(segid A and resid  57 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  57 and name HA   )(segid A and resid  57 and name HD21 ) 0.00 0.00  3.2
assign(segid A and resid  57 and name HN   )(segid A and resid  57 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  57 and name HN   )(segid A and resid  57 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  57 and name HN   )(segid A and resid  57 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  57 and name HN   )(segid A and resid  57 and name HD2+ ) 0.00 0.00  4.8

assign(segid A and resid  58 and name HA   )(segid A and resid  58 and name HD2  ) 0.00 0.00  3.2
assign(segid A and resid  58 and name HD2  )(segid A and resid  58 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  58 and name HD2  )(segid A and resid  58 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  58 and name HB2  ) 4.00 0.80  1.0
assign(segid A and resid  58 and name HN   )(segid A and resid  58 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  58 and name HN   )(segid A and resid  58 and name HB1  ) 3.20 0.50  1.0
assign(segid A and resid  58 and name HN   )(segid A and resid  58 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  59 and name HG1+ )(segid A and resid  59 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  59 and name HN   )(segid A and resid  59 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  59 and name HN   )(segid A and resid  59 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  59 and name HN   )(segid A and resid  59 and name HG++ ) 0.00 0.00  5.5

assign(segid A and resid  60 and name HN   )(segid A and resid  60 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  61 and name HN   )(segid A and resid  61 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  62 and name HN   )(segid A and resid  62 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  62 and name HN   )(segid A and resid  62 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  63 and name HN   )(segid A and resid  63 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  63 and name HN   )(segid A and resid  63 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  63 and name HN   )(segid A and resid  63 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  64 and name HN   )(segid A and resid  64 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  64 and name HN   )(segid A and resid  64 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  65 and name HA   )(segid A and resid  65 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  65 and name HN   )(segid A and resid  65 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  65 and name HN   )(segid A and resid  65 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  65 and name HN   )(segid A and resid  65 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  66 and name HA   )(segid A and resid  66 and name HG+  ) 0.00 0.00  3.5
assign(segid A and resid  66 and name HN   )(segid A and resid  66 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  66 and name HN   )(segid A and resid  66 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  66 and name HN   )(segid A and resid  66 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  67 and name HA   )(segid A and resid  67 and name HB   ) 3.20 0.50  1.0
assign(segid A and resid  67 and name HA   )(segid A and resid  67 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  67 and name HN   )(segid A and resid  67 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  67 and name HN   )(segid A and resid  67 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  67 and name HN   )(segid A and resid  67 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  68 and name HA   )(segid A and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  68 and name HB1  )(segid A and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  68 and name HN   )(segid A and resid  68 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  68 and name HN   )(segid A and resid  68 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  68 and name HN   )(segid A and resid  68 and name HB2  ) 0.00 0.00  2.7
assign(segid A and resid  68 and name HN   )(segid A and resid  68 and name HD1+ ) 0.00 0.00  4.8
assign(segid A and resid  68 and name HN   )(segid A and resid  68 and name HD2+ ) 0.00 0.00  4.8

assign(segid A and resid  69 and name HN   )(segid A and resid  69 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  69 and name HN   )(segid A and resid  69 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  69 and name HN   )(segid A and resid  69 and name HD+  ) 0.00 0.00  4.8

assign(segid A and resid  70 and name HA   )(segid A and resid  70 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  70 and name HB   )(segid A and resid  70 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  70 and name HG2+ )(segid A and resid  70 and name HA   ) 4.00 0.50  1.0 
assign(segid A and resid  70 and name HN   )(segid A and resid  70 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  70 and name HN   )(segid A and resid  70 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  70 and name HN   )(segid A and resid  70 and name HD1+ ) 0.00 0.00  4.8
assign(segid A and resid  70 and name HN   )(segid A and resid  70 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  70 and name HN   )(segid A and resid  70 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  71 and name HA   )(segid A and resid  71 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  71 and name HA   )(segid A and resid  71 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  71 and name HN   )(segid A and resid  71 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  71 and name HN   )(segid A and resid  71 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  71 and name HN   )(segid A and resid  71 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  72 and name HD21 )(segid A and resid  72 and name HB1 ) 0.00 0.00  3.2
assign(segid A and resid  72 and name HD21 )(segid A and resid  72 and name HB2 ) 0.00 0.00  3.2
assign(segid A and resid  72 and name HN   )(segid A and resid  72 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  72 and name HN   )(segid A and resid  72 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  72 and name HN   )(segid A and resid  72 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  73 and name HA   )(segid A and resid  73 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  73 and name HN   )(segid A and resid  73 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  73 and name HN   )(segid A and resid  73 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  73 and name HN   )(segid A and resid  73 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  73 and name HN   )(segid A and resid  73 and name HG   ) 0.00 0.00  2.7

assign(segid A and resid  74 and name HA1  )(segid A and resid  74 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  74 and name HA2  )(segid A and resid  74 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  75 and name HB1  )(segid A and resid  75 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  75 and name HB2  )(segid A and resid  75 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  75 and name HN   )(segid A and resid  75 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  76 and name HA   )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  76 and name HB1  )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  76 and name HB2  )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  76 and name HG   )(segid A and resid  76 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  76 and name HN   )(segid A and resid  76 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  76 and name HN   )(segid A and resid  76 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  76 and name HN   )(segid A and resid  76 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  76 and name HN   )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  76 and name HN   )(segid A and resid  76 and name HG   ) 0.00 0.00  2.7

assign(segid A and resid  77 and name HA   )(segid A and resid  77 and name HE+  ) 0.00 0.00  5.8
assign(segid A and resid  77 and name HA   )(segid A and resid  77 and name HG+  ) 0.00 0.00  3.5
assign(segid A and resid  77 and name HN   )(segid A and resid  77 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  77 and name HN   )(segid A and resid  77 and name HD+  ) 0.00 0.00  5.8
assign(segid A and resid  77 and name HN   )(segid A and resid  77 and name HG+  ) 0.00 0.00  4.0

assign(segid A and resid  78 and name HB   )(segid A and resid  78 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  78 and name HG1+ )(segid A and resid  78 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  78 and name HG2+ )(segid A and resid  78 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  78 and name HN   )(segid A and resid  78 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  78 and name HN   )(segid A and resid  78 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  78 and name HN   )(segid A and resid  78 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  78 and name HN   )(segid A and resid  78 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  79 and name HN   )(segid A and resid  79 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid  80 and name HN   )(segid A and resid  80 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  80 and name HN   )(segid A and resid  80 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  80 and name HN   )(segid A and resid  80 and name HB2  ) 0.00 0.00  2.7

assign(segid A and resid  81 and name HA   )(segid A and resid  81 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  81 and name HA   )(segid A and resid  81 and name HB2  ) 3.20 0.50  1.0
assign(segid A and resid  81 and name HD1  )(segid A and resid  81 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HD1  )(segid A and resid  81 and name HB1  ) 4.00 0.80  1.0
assign(segid A and resid  81 and name HD1  )(segid A and resid  81 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  81 and name HD1  )(segid A and resid  81 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  81 and name HN   )(segid A and resid  81 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  81 and name HN   )(segid A and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HN   )(segid A and resid  81 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  82 and name HN   )(segid A and resid  82 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  82 and name HN   )(segid A and resid  82 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  82 and name HN   )(segid A and resid  82 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  82 and name HN   )(segid A and resid  82 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HA   )(segid A and resid  82 and name HG2+ ) 0.00 0.00  3.5

assign(segid A and resid  83 and name HD21 )(segid A and resid  83 and name HB1  ) 0.00 0.00  3.2 
assign(segid A and resid  83 and name HN   )(segid A and resid  83 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  84 and name HA   )(segid A and resid  84 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  84 and name HA   )(segid A and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid A and resid  84 and name HA   )(segid A and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid A and resid  84 and name HN   )(segid A and resid  84 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  84 and name HN   )(segid A and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid A and resid  84 and name HN   )(segid A and resid  84 and name HG++ ) 0.00 0.00  4.2

assign(segid A and resid  85 and name HN   )(segid A and resid  85 and name HA   ) 3.20 0.60  1.0

assign(segid A and resid  86 and name HN   )(segid A and resid  86 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  86 and name HN   )(segid A and resid  86 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  86 and name HN   )(segid A and resid  86 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  87 and name HN   )(segid A and resid  87 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  87 and name HN   )(segid A and resid  87 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  88 and name HN   )(segid A and resid  88 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  88 and name HN   )(segid A and resid  88 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  89 and name HA   )(segid A and resid  89 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  89 and name HN   )(segid A and resid  89 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  89 and name HN   )(segid A and resid  89 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  89 and name HN   )(segid A and resid  89 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  90 and name HN   )(segid A and resid  90 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  90 and name HN   )(segid A and resid  90 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  90 and name HN   )(segid A and resid  90 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  91 and name HN   )(segid A and resid  91 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  91 and name HN   )(segid A and resid  91 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  92 and name HN   )(segid A and resid  92 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  92 and name HN   )(segid A and resid  92 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  93 and name HN   )(segid A and resid  93 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  93 and name HN   )(segid A and resid  93 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  93 and name HN   )(segid A and resid  93 and name HG+  ) 0.00 0.00  4.0

assign(segid A and resid  94 and name HA   )(segid A and resid  94 and name HG11 ) 3.20 0.50  3.0
assign(segid A and resid  94 and name HA   )(segid A and resid  94 and name HG12 ) 3.20 0.50  3.0
assign(segid A and resid  94 and name HN   )(segid A and resid  94 and name HA   ) 3.20 0.60  1.0
assign(segid A and resid  94 and name HN   )(segid A and resid  94 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  94 and name HN   )(segid A and resid  94 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  94 and name HN   )(segid A and resid  94 and name HG2+ ) 4.00 0.80  1.0


assign(segid A and resid   2 and name HN   )(segid A and resid   1 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid   2 and name HN   )(segid A and resid   1 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid   2 and name HN   )(segid A and resid   3 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid   3 and name HG2+ )(segid A and resid   2 and name HN   ) 0.00 0.00  3.5
assign(segid A and resid   3 and name HN   )(segid A and resid   2 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid   3 and name HN   )(segid A and resid   2 and name HB+  ) 0.00 0.00  4.0

assign(segid A and resid   4 and name HN   )(segid A and resid   3 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid   4 and name HN   )(segid A and resid   3 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid   4 and name HN   )(segid A and resid   3 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid   4 and name HN   )(segid A and resid   5 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid   5 and name HA   )(segid A and resid   4 and name HA+  ) 0.00 0.00  4.8
assign(segid A and resid   5 and name HN   )(segid A and resid   4 and name HA+  ) 0.00 0.00  4.8
assign(segid A and resid   5 and name HN   )(segid A and resid   6 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid   6 and name HA   )(segid A and resid   7 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid   6 and name HN   )(segid A and resid   5 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid   6 and name HN   )(segid A and resid   7 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid   7 and name HA   )(segid A and resid   6 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid   7 and name HN   )(segid A and resid   6 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid   7 and name HN   )(segid A and resid   8 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid   8 and name HN   )(segid A and resid   7 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid   8 and name HN   )(segid A and resid   7 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid   8 and name HN   )(segid A and resid   9 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid   9 and name HN   )(segid A and resid   8 and name HA+  ) 0.00 0.00  3.5
assign(segid A and resid   9 and name HN   )(segid A and resid  10 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  10 and name HN   )(segid A and resid   9 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  10 and name HN   )(segid A and resid   9 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  10 and name HN   )(segid A and resid   9 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  11 and name HN   )(segid A and resid  10 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  11 and name HN   )(segid A and resid  10 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  11 and name HN   )(segid A and resid  10 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  11 and name HN   )(segid A and resid  12 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  12 and name HN   )(segid A and resid  11 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  12 and name HN   )(segid A and resid  11 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  12 and name HN   )(segid A and resid  13 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  13 and name HG1+ )(segid A and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  13 and name HG1+ )(segid A and resid  12 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  13 and name HG1+ )(segid A and resid  14 and name HB+  ) 0.00 0.00  5.6
assign(segid A and resid  13 and name HN   )(segid A and resid  12 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  13 and name HN   )(segid A and resid  12 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  13 and name HN   )(segid A and resid  12 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  13 and name HN   )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  14 and name HB+  )(segid A and resid  13 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  14 and name HB1  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  14 and name HB2  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  14 and name HN   )(segid A and resid  13 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  14 and name HN   )(segid A and resid  13 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  14 and name HN   )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  14 and name HN   )(segid A and resid  13 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  14 and name HN   )(segid A and resid  13 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  15 and name HN   )(segid A and resid  14 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  15 and name HN   )(segid A and resid  14 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  15 and name HN   )(segid A and resid  14 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  16 and name HA   )(segid A and resid  15 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  16 and name HA   )(segid A and resid  15 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  16 and name HN   )(segid A and resid  15 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  16 and name HN   )(segid A and resid  15 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  16 and name HN   )(segid A and resid  15 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  16 and name HN   )(segid A and resid  15 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  17 and name HN   )(segid A and resid  16 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  17 and name HN   )(segid A and resid  16 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  17 and name HN   )(segid A and resid  16 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  17 and name HN   )(segid A and resid  18 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  18 and name HB1  )(segid A and resid  19 and name HD+  ) 0.00 0.00  4.0
assign(segid A and resid  18 and name HD+  )(segid A and resid  19 and name HD+  ) 0.00 0.00  5.6
assign(segid A and resid  18 and name HN   )(segid A and resid  17 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  18 and name HN   )(segid A and resid  17 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  18 and name HN   )(segid A and resid  17 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  18 and name HN   )(segid A and resid  17 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  18 and name HN   )(segid A and resid  19 and name HD+  ) 0.00 0.00  5.8

assign(segid A and resid  20 and name HD22 )(segid A and resid  21 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  20 and name HN   )(segid A and resid  19 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  20 and name HN   )(segid A and resid  21 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  21 and name HN   )(segid A and resid  20 and name HA   ) 3.00 0.00  1.0
assign(segid A and resid  21 and name HN   )(segid A and resid  20 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  22 and name HN   )(segid A and resid  21 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  22 and name HN   )(segid A and resid  21 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  22 and name HN   )(segid A and resid  21 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  22 and name HN   )(segid A and resid  21 and name HD+  ) 0.00 0.00  5.2
assign(segid A and resid  22 and name HN   )(segid A and resid  21 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  23 and name HB   )(segid A and resid  22 and name HA    ) 0.00 0.00  5.0
assign(segid A and resid  23 and name HB   )(segid A and resid  24 and name HN    ) 0.00 0.00  5.0
assign(segid A and resid  23 and name HN   )(segid A and resid  22 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  23 and name HN   )(segid A and resid  22 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  23 and name HN   )(segid A and resid  22 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  23 and name HN   )(segid A and resid  22 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  24 and name HA   )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  24 and name HA   )(segid A and resid  25 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HD2  )(segid A and resid  25 and name HN    ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HN   )(segid A and resid  23 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  24 and name HN   )(segid A and resid  23 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  24 and name HN   )(segid A and resid  23 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  25 and name HN   )(segid A and resid  24 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  25 and name HN   )(segid A and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  25 and name HN   )(segid A and resid  24 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  25 and name HN   )(segid A and resid  24 and name HD2  ) 0.00 0.00  4.0
assign(segid A and resid  25 and name HN   )(segid A and resid  24 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  26 and name HA   )(segid A and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HB   )(segid A and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HB   )(segid A and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HG2+ )(segid A and resid  27 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid  26 and name HN   )(segid A and resid  25 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HN   )(segid A and resid  25 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  26 and name HN   )(segid A and resid  25 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  26 and name HN   )(segid A and resid  25 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  26 and name HN   )(segid A and resid  27 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  27 and name HN   )(segid A and resid  26 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  27 and name HN   )(segid A and resid  26 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  27 and name HN   )(segid A and resid  28 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  28 and name HA   )(segid A and resid  29 and name HD1  ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HA   )(segid A and resid  29 and name HD2  ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HB1  )(segid A and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid  28 and name HB2  )(segid A and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid  28 and name HD++ )(segid A and resid  29 and name HD1  ) 0.00 0.00  4.7
assign(segid A and resid  28 and name HD++ )(segid A and resid  29 and name HD2  ) 0.00 0.00  4.7
assign(segid A and resid  28 and name HN   )(segid A and resid  27 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  28 and name HN   )(segid A and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  28 and name HN   )(segid A and resid  27 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  28 and name HN   )(segid A and resid  29 and name HD+  ) 0.00 0.00  5.8

assign(segid A and resid  30 and name HN   )(segid A and resid  29 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  30 and name HN   )(segid A and resid  29 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  30 and name HN   )(segid A and resid  29 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  30 and name HN   )(segid A and resid  29 and name HG+  ) 0.00 0.00  5.8
assign(segid A and resid  30 and name HN   )(segid A and resid  31 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  31 and name HN   )(segid A and resid  30 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  31 and name HN   )(segid A and resid  30 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  31 and name HN   )(segid A and resid  32 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  32 and name HN   )(segid A and resid  31 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  32 and name HN   )(segid A and resid  31 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  32 and name HN   )(segid A and resid  31 and name HB2  ) 0.00 0.00  5.0

assign(segid A and resid  33 and name HN   )(segid A and resid  32 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  33 and name HN   )(segid A and resid  32 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  33 and name HN   )(segid A and resid  32 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  33 and name HN   )(segid A and resid  34 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  34 and name HN   )(segid A and resid  33 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  34 and name HN   )(segid A and resid  33 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  34 and name HN   )(segid A and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  34 and name HN   )(segid A and resid  33 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  35 and name HA1  )(segid A and resid  36 and name HN   ) 3.20 0.50  1.0
assign(segid A and resid  35 and name HA2  )(segid A and resid  36 and name HN   ) 3.20 0.50  1.0
assign(segid A and resid  35 and name HN   )(segid A and resid  34 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  35 and name HN   )(segid A and resid  34 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  36 and name HN   )(segid A and resid  35 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  37 and name HN   )(segid A and resid  36 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  37 and name HN   )(segid A and resid  36 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  37 and name HN   )(segid A and resid  36 and name HG   ) 0.00 0.00  3.2

assign(segid A and resid  38 and name HN   )(segid A and resid  37 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  38 and name HN   )(segid A and resid  37 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HN   )(segid A and resid  37 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HN   )(segid A and resid  37 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  39 and name HN   )(segid A and resid  38 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  39 and name HN   )(segid A and resid  38 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  39 and name HN   )(segid A and resid  38 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  39 and name HN   )(segid A and resid  38 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  39 and name HN   )(segid A and resid  40 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  40 and name HN   )(segid A and resid  39 and name HA+  ) 0.00 0.00  4.0

assign(segid A and resid  41 and name HN   )(segid A and resid  40 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  41 and name HN   )(segid A and resid  40 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  41 and name HN   )(segid A and resid  40 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  41 and name HN   )(segid A and resid  40 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  41 and name HN   )(segid A and resid  42 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  42 and name HN   )(segid A and resid  41 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  42 and name HN   )(segid A and resid  41 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  42 and name HN   )(segid A and resid  41 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  43 and name HN   )(segid A and resid  42 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  43 and name HN   )(segid A and resid  42 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  44 and name HD1  )(segid A and resid  43 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  44 and name HN   )(segid A and resid  43 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  44 and name HN   )(segid A and resid  43 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  44 and name HN   )(segid A and resid  43 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  44 and name HN   )(segid A and resid  45 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  45 and name HN   )(segid A and resid  44 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  45 and name HN   )(segid A and resid  46 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  46 and name HN   )(segid A and resid  45 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  46 and name HN   )(segid A and resid  45 and name HB1  ) 4.00 0.80  1.0
assign(segid A and resid  46 and name HN   )(segid A and resid  45 and name HB2  ) 3.20 0.50  1.8

assign(segid A and resid  47 and name HN   )(segid A and resid  46 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  47 and name HN   )(segid A and resid  48 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  48 and name HN   )(segid A and resid  47 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  48 and name HN   )(segid A and resid  47 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  48 and name HN   )(segid A and resid  49 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  49 and name HN   )(segid A and resid  48 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  49 and name HN   )(segid A and resid  48 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  49 and name HN   )(segid A and resid  48 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  49 and name HN   )(segid A and resid  50 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  50 and name HN   )(segid A and resid  49 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  50 and name HN   )(segid A and resid  49 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  50 and name HN   )(segid A and resid  49 and name HD1+ ) 0.00 0.00  4.8
assign(segid A and resid  50 and name HN   )(segid A and resid  51 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  51 and name HG2+ )(segid A and resid  50 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  51 and name HN   )(segid A and resid  50 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  51 and name HN   )(segid A and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  51 and name HN   )(segid A and resid  52 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  52 and name HN   )(segid A and resid  51 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  52 and name HN   )(segid A and resid  51 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  52 and name HN   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  4.0

assign(segid A and resid  53 and name HN   )(segid A and resid  52 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  53 and name HN   )(segid A and resid  52 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  53 and name HN   )(segid A and resid  52 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  53 and name HN   )(segid A and resid  52 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  54 and name HN   )(segid A and resid  53 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  54 and name HN   )(segid A and resid  53 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  54 and name HN   )(segid A and resid  53 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  54 and name HN   )(segid A and resid  53 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  55 and name HN   )(segid A and resid  54 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  55 and name HN   )(segid A and resid  54 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  55 and name HN   )(segid A and resid  54 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  55 and name HN   )(segid A and resid  54 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  55 and name HN   )(segid A and resid  54 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  56 and name HN   )(segid A and resid  55 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  56 and name HN   )(segid A and resid  55 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  56 and name HN   )(segid A and resid  57 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  57 and name HN   )(segid A and resid  56 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid  58 and name HD2  )(segid A and resid  59 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  58 and name HN   )(segid A and resid  57 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  58 and name HN   )(segid A and resid  57 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  58 and name HN   )(segid A and resid  57 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  58 and name HN   )(segid A and resid  59 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  59 and name HG2+ )(segid A and resid  58 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  59 and name HN   )(segid A and resid  58 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  59 and name HN   )(segid A and resid  58 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  59 and name HN   )(segid A and resid  58 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  60 and name HN   )(segid A and resid  59 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  60 and name HN   )(segid A and resid  59 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  60 and name HN   )(segid A and resid  59 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  61 and name HN   )(segid A and resid  60 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  61 and name HN   )(segid A and resid  60 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  61 and name HN   )(segid A and resid  60 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  62 and name HA   )(segid A and resid  63 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  62 and name HA   )(segid A and resid  63 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  62 and name HA   )(segid A and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  62 and name HN   )(segid A and resid  61 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  62 and name HN   )(segid A and resid  61 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  62 and name HN   )(segid A and resid  61 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  62 and name HN   )(segid A and resid  63 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  63 and name HN   )(segid A and resid  62 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  63 and name HN   )(segid A and resid  62 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  63 and name HN   )(segid A and resid  62 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  63 and name HN   )(segid A and resid  64 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  64 and name HN   )(segid A and resid  63 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  64 and name HN   )(segid A and resid  63 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  64 and name HN   )(segid A and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  64 and name HN   )(segid A and resid  65 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  65 and name HN   )(segid A and resid  64 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  65 and name HN   )(segid A and resid  64 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  66 and name HA   )(segid A and resid  65 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  66 and name HN   )(segid A and resid  65 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  66 and name HN   )(segid A and resid  65 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  66 and name HN   )(segid A and resid  65 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  66 and name HN   )(segid A and resid  67 and name HN   ) 0.00 0.00  3.2 

assign(segid A and resid  67 and name HN   )(segid A and resid  66 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  67 and name HN   )(segid A and resid  66 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  67 and name HN   )(segid A and resid  66 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  67 and name HN   )(segid A and resid  68 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  68 and name HN   )(segid A and resid  67 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  68 and name HN   )(segid A and resid  67 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  68 and name HN   )(segid A and resid  67 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  69 and name HN   )(segid A and resid  68 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  69 and name HN   )(segid A and resid  68 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  69 and name HN   )(segid A and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  69 and name HN   )(segid A and resid  68 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  70 and name HB   )(segid A and resid  71 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  70 and name HN   )(segid A and resid  69 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  70 and name HN   )(segid A and resid  69 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  70 and name HN   )(segid A and resid  69 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  70 and name HN   )(segid A and resid  71 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  71 and name HN   )(segid A and resid  70 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  71 and name HN   )(segid A and resid  70 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  71 and name HN   )(segid A and resid  70 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  71 and name HN   )(segid A and resid  70 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  71 and name HN   )(segid A and resid  72 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  72 and name HN   )(segid A and resid  71 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  72 and name HN   )(segid A and resid  71 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  72 and name HN   )(segid A and resid  71 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  72 and name HN   )(segid A and resid  73 and name HD++  ) 0.00 0.00  5.5 
assign(segid A and resid  72 and name HN   )(segid A and resid  73 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  72 and name HN   )(segid A and resid  73 and name HG   ) 0.00 0.00  4.0

assign(segid A and resid  73 and name HN   )(segid A and resid  72 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  73 and name HN   )(segid A and resid  72 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HN   )(segid A and resid  72 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  73 and name HN   )(segid A and resid  72 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  74 and name HA1  )(segid A and resid  75 and name HN   ) 3.20 0.50  1.0
assign(segid A and resid  74 and name HA2  )(segid A and resid  75 and name HN   ) 3.20 0.50  1.0
assign(segid A and resid  74 and name HN   )(segid A and resid  73 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  74 and name HN   )(segid A and resid  73 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  74 and name HN   )(segid A and resid  73 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  75 and name HN   )(segid A and resid  74 and name HA1  ) 3.20 0.50  1.0
assign(segid A and resid  75 and name HN   )(segid A and resid  74 and name HA2  ) 3.20 0.50  1.0
assign(segid A and resid  75 and name HN   )(segid A and resid  74 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  75 and name HN   )(segid A and resid  76 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  76 and name HB1  )(segid A and resid  77 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  76 and name HB2  )(segid A and resid  77 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  76 and name HN   )(segid A and resid  75 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  76 and name HN   )(segid A and resid  75 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  76 and name HN   )(segid A and resid  75 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  76 and name HN   )(segid A and resid  77 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  77 and name HN   )(segid A and resid  76 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  77 and name HN   )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  77 and name HN   )(segid A and resid  76 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  77 and name HN   )(segid A and resid  78 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  78 and name HG1+ )(segid A and resid  79 and name HA+  ) 0.00 0.00  4.3
assign(segid A and resid  78 and name HG1+ )(segid A and resid  79 and name HN   ) 0.00 0.00  3.5
assign(segid A and resid  78 and name HG2+ )(segid A and resid  79 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid  78 and name HN   )(segid A and resid  77 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  78 and name HN   )(segid A and resid  77 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  78 and name HN   )(segid A and resid  77 and name HD+  ) 0.00 0.00  5.8
assign(segid A and resid  78 and name HN   )(segid A and resid  77 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  78 and name HN   )(segid A and resid  79 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  79 and name HN   )(segid A and resid  78 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  79 and name HN   )(segid A and resid  78 and name HB   ) 4.00 0.80  1.0
assign(segid A and resid  79 and name HN   )(segid A and resid  78 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  79 and name HN   )(segid A and resid  78 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  80 and name HB1  )(segid A and resid  81 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  80 and name HB2  )(segid A and resid  81 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  80 and name HN   )(segid A and resid  79 and name HA1  ) 3.20 0.50  1.0
assign(segid A and resid  80 and name HN   )(segid A and resid  79 and name HA2  ) 3.20 0.50  1.0
assign(segid A and resid  80 and name HN   )(segid A and resid  79 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  81 and name HN   )(segid A and resid  80 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  81 and name HN   )(segid A and resid  80 and name HN   ) 4.00 0.80  2.0
assign(segid A and resid  81 and name HN   )(segid A and resid  82 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  82 and name HG1+ )(segid A and resid  81 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HN   )(segid A and resid  81 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  82 and name HN   )(segid A and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  82 and name HN   )(segid A and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  82 and name HN   )(segid A and resid  83 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  83 and name HN   )(segid A and resid  82 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  83 and name HN   )(segid A and resid  84 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  84 and name HG2+ )(segid A and resid  83 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HN   )(segid A and resid  83 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  84 and name HN   )(segid A and resid  83 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  84 and name HN   )(segid A and resid  83 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  84 and name HN   )(segid A and resid  85 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  85 and name HN   )(segid A and resid  84 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  85 and name HN   )(segid A and resid  84 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  85 and name HN   )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  85 and name HN   )(segid A and resid  86 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  86 and name HN   )(segid A and resid  85 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  86 and name HN   )(segid A and resid  87 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  87 and name HB+  )(segid A and resid  88 and name HN   ) 0.00 0.00  3.5
assign(segid A and resid  87 and name HN   )(segid A and resid  86 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  87 and name HN   )(segid A and resid  86 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  87 and name HN   )(segid A and resid  86 and name HG+  ) 0.00 0.00  5.8
assign(segid A and resid  87 and name HN   )(segid A and resid  88 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  88 and name HA   )(segid A and resid  89 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid  88 and name HN   )(segid A and resid  87 and name HA   ) 0.00 0.00  2.7

assign(segid A and resid  89 and name HN   )(segid A and resid  88 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  89 and name HN   )(segid A and resid  88 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  90 and name HN   )(segid A and resid  89 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  91 and name HN   )(segid A and resid  90 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  91 and name HN   )(segid A and resid  90 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  91 and name HN   )(segid A and resid  90 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  91 and name HN   )(segid A and resid  90 and name HB2  ) 0.00 0.00  3.2

assign(segid A and resid  92 and name HN   )(segid A and resid  91 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  92 and name HN   )(segid A and resid  91 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  92 and name HN   )(segid A and resid  91 and name HN   ) 4.00 0.80  2.0

assign(segid A and resid  93 and name HN   )(segid A and resid  92 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  93 and name HN   )(segid A and resid  92 and name HB+  ) 0.00 0.00  3.5
assign(segid A and resid  93 and name HN   )(segid A and resid  92 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  93 and name HN   )(segid A and resid  94 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  94 and name HN   )(segid A and resid  93 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  94 and name HN   )(segid A and resid  93 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  94 and name HN   )(segid A and resid  93 and name HG+  ) 0.00 0.00  5.8
assign(segid A and resid  94 and name HN   )(segid A and resid  95 and name HN   ) 0.00 0.00  2.7

assign(segid A and resid  95 and name HN   )(segid A and resid  94 and name HA   ) 3.20 0.50  1.0
assign(segid A and resid  95 and name HN   )(segid A and resid  94 and name HN   ) 0.00 0.00  2.7
assign(segid A and resid  95 and name HN   )(segid A and resid  96 and name HN   ) 4.00 0.80  2.0

 assign(segid A and resid  38 and name HN   )(segid A and resid  40 and name HN   ) 0.00 0.00  5.0


assign(segid A and resid   3 and name HB   )(segid A and resid   5 and name HD1+ ) 0.00 0.00  4.0
assign(segid A and resid   3 and name HB   )(segid A and resid   5 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid   3 and name HB   )(segid A and resid   5 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid   3 and name HB   )(segid A and resid   5 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid   4 and name HN   )(segid A and resid   2 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid   4 and name HN   )(segid A and resid   2 and name HD+  ) 0.00 0.00  5.5

assign(segid A and resid   5 and name HN   )(segid A and resid   3 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid   5 and name HN   )(segid A and resid   3 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid   8 and name HN   )(segid A and resid   6 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid   8 and name HN   )(segid A and resid   6 and name HG1+ ) 0.00 0.00  3.5
assign(segid A and resid   8 and name HN   )(segid A and resid   6 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  11 and name HE+  )(segid A and resid  13 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  12 and name HD++ )(segid A and resid  15 and name HD1+ ) 0.00 0.00  5.2

assign(segid A and resid  13 and name HG1+ )(segid A and resid  11 and name HE+  ) 0.00 0.00  5.6

assign(segid A and resid  14 and name HN   )(segid A and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  14 and name HN   )(segid A and resid  12 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  14 and name HN   )(segid A and resid  12 and name HG   ) 0.00 0.00  4.0

assign(segid A and resid  17 and name HN   )(segid A and resid  15 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  18 and name HN   )(segid A and resid  22 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  20 and name HD22 )(segid A and resid  18 and name HB1  ) 0.00 0.00  5.8 

assign(segid A and resid  21 and name HN   )(segid A and resid  18 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  21 and name HN   )(segid A and resid  18 and name HD+  ) 0.00 0.00  5.8
assign(segid A and resid  21 and name HN   )(segid A and resid  18 and name HE+  ) 0.00 0.00  5.8
assign(segid A and resid  21 and name HN   )(segid A and resid  18 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  21 and name HN   )(segid A and resid  18 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  21 and name HN   )(segid A and resid  19 and name HD+  ) 0.00 0.00  5.8

assign(segid A and resid  22 and name HA   )(segid A and resid  17 and name HA    ) 0.00 0.00  2.7
assign(segid A and resid  22 and name HA   )(segid A and resid  18 and name HG+   ) 0.00 0.00  4.8
assign(segid A and resid  22 and name HB+  )(segid A and resid  17 and name HA    ) 0.00 0.00  4.8
assign(segid A and resid  22 and name HD+  )(segid A and resid  17 and name HG+   ) 0.00 0.00  5.6
assign(segid A and resid  22 and name HE   )(segid A and resid  24 and name HD2  ) 0.00 0.00  5.0
assign(segid A and resid  22 and name HN   )(segid A and resid  18 and name HG+  ) 0.00 0.00  5.8

assign(segid A and resid  23 and name HN   )(segid A and resid  18 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  28 and name HD++ )(segid A and resid  33 and name HN   ) 0.00 0.00  6.5
assign(segid A and resid  28 and name HN   )(segid A and resid  26 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  30 and name HA   )(segid A and resid  33 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  30 and name HA   )(segid A and resid  33 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  30 and name HB+  )(segid A and resid  33 and name HD++ ) 0.00 0.00  6.3
assign(segid A and resid  30 and name HN   )(segid A and resid  33 and name HD++ ) 0.00 0.00  4.7 
assign(segid A and resid  30 and name HN   )(segid A and resid  33 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  31 and name HN   )(segid A and resid  29 and name HD+  ) 0.00 0.00  5.8
assign(segid A and resid  31 and name HN   )(segid A and resid  29 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  32 and name HN   )(segid A and resid  29 and name HD+  ) 0.00 0.00 4.8
assign(segid A and resid  32 and name HN   )(segid A and resid  29 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  32 and name HN   )(segid A and resid  30 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  33 and name HA   )(segid A and resid  28 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  33 and name HN   )(segid A and resid  31 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  34 and name HN   )(segid A and resid  31 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  37 and name HN   )(segid A and resid  40 and name HB+  ) 0.00 0.00  3.5

assign(segid A and resid  40 and name HB+  )(segid A and resid  36 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  40 and name HB+  )(segid A and resid  36 and name HD++ ) 0.00 0.00  5.0 
assign(segid A and resid  40 and name HN   )(segid A and resid  36 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  40 and name HN   )(segid A and resid  38 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  44 and name HD1  )(segid A and resid  42 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  44 and name HD1  )(segid A and resid  42 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  44 and name HD1  )(segid A and resid  42 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  44 and name HD1  )(segid A and resid  49 and name HD2+ ) 0.00 0.00  5.8
assign(segid A and resid  44 and name HN   )(segid A and resid  48 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  44 and name HN   )(segid A and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid A and resid  46 and name HN   )(segid A and resid  43 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  46 and name HA1  )(segid A and resid  43 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  46 and name HA2  )(segid A and resid  43 and name HB+  ) 0.00 0.00  5.8

assign(segid A and resid  47 and name HN   )(segid A and resid  44 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  47 and name HN   )(segid A and resid  44 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  47 and name HN   )(segid A and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid A and resid  48 and name HA   )(segid A and resid  43 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  48 and name HA   )(segid A and resid  43 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  51 and name HG1+ )(segid A and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  51 and name HG1+ )(segid A and resid  54 and name HD1+ ) 0.00 0.00  5.6
assign(segid A and resid  51 and name HG1+ )(segid A and resid  54 and name HG1+ ) 0.00 0.00  5.6

assign(segid A and resid  53 and name HN   )(segid A and resid  51 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  53 and name HN   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  4.0

assign(segid A and resid  54 and name HA   )(segid A and resid  58 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  54 and name HA   )(segid A and resid  58 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  54 and name HA   )(segid A and resid  59 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  55 and name HD21 )(segid A and resid  53 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  55 and name HD21 )(segid A and resid  53 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  55 and name HD21 )(segid A and resid  58 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  55 and name HD21 )(segid A and resid  58 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  55 and name HD22 )(segid A and resid  53 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HD22 )(segid A and resid  53 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HN   )(segid A and resid  58 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HN   )(segid A and resid  58 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HN   )(segid A and resid  59 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  55 and name HN   )(segid A and resid  59 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  55 and name HN   )(segid A and resid  60 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  56 and name HN   )(segid A and resid  54 and name HG1+ ) 0.00 0.00  5.8
assign(segid A and resid  56 and name HN   )(segid A and resid  54 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  58 and name HB1  )(segid A and resid  55 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HB2  )(segid A and resid  55 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HB2  )(segid A and resid  55 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  58 and name HB2  )(segid A and resid  55 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  58 and name HN   )(segid A and resid  54 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  58 and name HN   )(segid A and resid  55 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  58 and name HN   )(segid A and resid  55 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  58 and name HN   )(segid A and resid  56 and name HA+  ) 0.00 0.00  4.8

assign(segid A and resid  59 and name HG1+ )(segid A and resid  54 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  59 and name HG2+ )(segid A and resid  54 and name HA   ) 0.00 0.00  4.0


assign(segid A and resid  63 and name HD++ )(segid A and resid  68 and name HD++  ) 0.00 0.00  5.7

assign(segid A and resid  64 and name HN   )(segid A and resid  67 and name HB   ) 0.00 0.00  4.0

assign(segid A and resid  65 and name HA   )(segid A and resid  68 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  65 and name HA   )(segid A and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  65 and name HN   )(segid A and resid  68 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  66 and name HA   )(segid A and resid  69 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  66 and name HN   )(segid A and resid  68 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  67 and name HA   )(segid A and resid  70 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  67 and name HN   )(segid A and resid  64 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  67 and name HN   )(segid A and resid  64 and name HG+  ) 0.00 0.00  4.8

assign(segid A and resid  68 and name HB1  )(segid A and resid  65 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  68 and name HB2  )(segid A and resid  65 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  68 and name HD++ )(segid A and resid  73 and name HB+  ) 0.00 0.00  6.3
assign(segid A and resid  68 and name HN   )(segid A and resid  65 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  69 and name HB1  )(segid A and resid  66 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  69 and name HB2  )(segid A and resid  66 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  69 and name HN   )(segid A and resid  66 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  70 and name HD1+ )(segid A and resid  66 and name HG+  ) 0.00 0.00  4.0
assign(segid A and resid  70 and name HD1+ )(segid A and resid  67 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  70 and name HN   )(segid A and resid  67 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  71 and name HB   )(segid A and resid  68 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  71 and name HB   )(segid A and resid  73 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  71 and name HB   )(segid A and resid  73 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  71 and name HG2+ )(segid A and resid  73 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  71 and name HN   )(segid A and resid  67 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  71 and name HN   )(segid A and resid  67 and name HG2+ ) 0.00 0.00  5.8
assign(segid A and resid  71 and name HN   )(segid A and resid  68 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  71 and name HN   )(segid A and resid  69 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  71 and name HN   )(segid A and resid  73 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  71 and name HN   )(segid A and resid  73 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  73 and name HN   )(segid A and resid  68 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HN   )(segid A and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  73 and name HN   )(segid A and resid  71 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HN   )(segid A and resid  71 and name HB   ) 0.00 0.00  3.2

assign(segid A and resid  74 and name HN   )(segid A and resid  69 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  74 and name HN   )(segid A and resid  72 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  74 and name HN   )(segid A and resid  76 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  74 and name HN   )(segid A and resid  76 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  75 and name HN   )(segid A and resid  72 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  75 and name HN   )(segid A and resid  72 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  75 and name HN   )(segid A and resid  73 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  76 and name HD++ )(segid A and resid  73 and name HA   ) 0.00 0.00  4.2
assign(segid A and resid  76 and name HG   )(segid A and resid  73 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  76 and name HN   )(segid A and resid  73 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  76 and name HN   )(segid A and resid  74 and name HA+  ) 0.00 0.00  5.8

assign(segid A and resid  77 and name HN   )(segid A and resid  80 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  77 and name HN   )(segid A and resid  80 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  77 and name HN   )(segid A and resid  80 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  78 and name HA   )(segid A and resid  80 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  80 and name HN   )(segid A and resid  77 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  80 and name HN   )(segid A and resid  78 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  80 and name HN   )(segid A and resid  78 and name HG1+ ) 0.00 0.00  4.8

assign(segid A and resid  82 and name HB   )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG1+ )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.3
assign(segid A and resid  82 and name HG2+ )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG1+ )(segid A and resid  84 and name HN   ) 0.00 0.00  4.8

assign(segid A and resid  90 and name HN   )(segid A and resid  88 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  93 and name HN   )(segid A and resid  91 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  93 and name HN   )(segid A and resid  91 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  94 and name HG2+ )(segid A and resid  96 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  38 and name HB   )(segid A and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HB   )(segid A and resid  54 and name HD1+ ) 0.00 0.00  4.0

assign(segid A and resid   7 and name HB+  )(segid A and resid  86 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid   7 and name HN   )(segid A and resid  85 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid   8 and name HA+  )(segid A and resid  29 and name HG+  ) 0.00 0.00  6.6
assign(segid A and resid   8 and name HN   )(segid A and resid  84 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid   8 and name HN   )(segid A and resid  84 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid   9 and name HB   )(segid A and resid  81 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid   9 and name HB   )(segid A and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid   9 and name HN   )(segid A and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid A and resid   9 and name HN   )(segid A and resid  29 and name HG1  ) 0.00 0.00  5.0
assign(segid A and resid   9 and name HN   )(segid A and resid  29 and name HG2  ) 0.00 0.00  5.0
assign(segid A and resid   9 and name HN   )(segid A and resid  84 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  10 and name HA   )(segid A and resid  27 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  10 and name HA   )(segid A and resid  28 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  10 and name HA   )(segid A and resid  29 and name HD1  ) 0.00 0.00  5.0
assign(segid A and resid  10 and name HA   )(segid A and resid  29 and name HD2  ) 0.00 0.00  5.0
assign(segid A and resid  10 and name HA   )(segid A and resid  82 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  10 and name HB+  )(segid A and resid  26 and name HB   ) 0.00 0.00  3.5
assign(segid A and resid  10 and name HN   )(segid A and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  10 and name HN   )(segid A and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  10 and name HN   )(segid A and resid  82 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  10 and name HN   )(segid A and resid  83 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  10 and name HN   )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  10 and name HN   )(segid A and resid  84 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  10 and name HN   )(segid A and resid  84 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  11 and name HA   )(segid A and resid  81 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  11 and name HB1  )(segid A and resid  27 and name HB1  ) 0.00 0.00  2.7
assign(segid A and resid  11 and name HB1  )(segid A and resid  81 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  11 and name HB2  )(segid A and resid  81 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  11 and name HE+  )(segid A and resid  79 and name HA+  ) 0.00 0.00  4.2
assign(segid A and resid  11 and name HN   )(segid A and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  11 and name HN   )(segid A and resid  27 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  11 and name HN   )(segid A and resid  27 and name HG+  ) 0.00 0.00  5.8

assign(segid A and resid  12 and name HD++ )(segid A and resid  24 and name HA   ) 0.00 0.00  6.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  24 and name HB1  ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  76 and name HA   ) 0.00 0.00  4.7
assign(segid A and resid  12 and name HD++ )(segid A and resid  76 and name HB1  ) 0.00 0.00  4.7
assign(segid A and resid  12 and name HD++ )(segid A and resid  76 and name HB2  ) 0.00 0.00  4.7
assign(segid A and resid  12 and name HD++ )(segid A and resid  77 and name HA   ) 0.00 0.00  6.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  77 and name HN   ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  78 and name HA   ) 0.00 0.00  4.7
assign(segid A and resid  12 and name HD++ )(segid A and resid  79 and name HN   ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  80 and name HB1  ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  80 and name HB2  ) 0.00 0.00  5.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  80 and name HN   ) 0.00 0.00  6.5
assign(segid A and resid  12 and name HD++ )(segid A and resid  81 and name HA   ) 0.00 0.00  6.5
assign(segid A and resid  12 and name HN   )(segid A and resid  80 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  12 and name HN   )(segid A and resid  81 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  13 and name HA   )(segid A and resid  79 and name HA+  ) 0.00 0.00  5.8
assign(segid A and resid  13 and name HG1+ )(segid A and resid  26 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  13 and name HG1+ )(segid A and resid  27 and name HA   ) 0.00 0.00  5.8
assign(segid A and resid  13 and name HG1+ )(segid A and resid  27 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  13 and name HN   )(segid A and resid  25 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  13 and name HN   )(segid A and resid  26 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  14 and name HB1  )(segid A and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  14 and name HB2  )(segid A and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  14 and name HN   )(segid A and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  14 and name HN   )(segid A and resid  25 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  14 and name HN   )(segid A and resid  26 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  15 and name HA   )(segid A and resid  24 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  15 and name HD1+ )(segid A and resid  77 and name HA   ) 0.00 0.00  5.8
assign(segid A and resid  15 and name HD1+ )(segid A and resid  78 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  15 and name HG2+ )(segid A and resid  24 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  15 and name HN   )(segid A and resid  78 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  15 and name HN   )(segid A and resid  78 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  16 and name HA   )(segid A and resid  23 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  16 and name HA   )(segid A and resid  23 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  16 and name HB+  )(segid A and resid  25 and name HG2+ ) 0.00 0.00  5.6
assign(segid A and resid  16 and name HB1  )(segid A and resid  23 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  16 and name HB1  )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  16 and name HB2  )(segid A and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  16 and name HB2  )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  16 and name HN   )(segid A and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  16 and name HN   )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  16 and name HN   )(segid A and resid  24 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  16 and name HN   )(segid A and resid  25 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  17 and name HN   )(segid A and resid  23 and name HB   ) 0.00 0.00  5.0

assign(segid A and resid  22 and name HD+  )(segid A and resid  15 and name HG2+  ) 0.00 0.00  6.6
assign(segid A and resid  22 and name HD+  )(segid A and resid  63 and name HD++  ) 0.00 0.00  6.3
assign(segid A and resid  22 and name HD+  )(segid A and resid  65 and name HN    ) 0.00 0.00  5.8
assign(segid A and resid  22 and name HD+  )(segid A and resid  68 and name HD1+  ) 0.00 0.00  4.8
assign(segid A and resid  22 and name HD+  )(segid A and resid  68 and name HD2+  ) 0.00 0.00  4.8
assign(segid A and resid  22 and name HE   )(segid A and resid  15 and name HD1+ ) 0.00 0.00  4.8
assign(segid A and resid  22 and name HE   )(segid A and resid  15 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  22 and name HE   )(segid A and resid  63 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  22 and name HE   )(segid A and resid  68 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  22 and name HN   )(segid A and resid  63 and name HB+  ) 0.00 0.00  4.8

assign(segid A and resid  23 and name HG2+ )(segid A and resid  60 and name HB+   ) 0.00 0.00  4.8
assign(segid A and resid  23 and name HN   )(segid A and resid  15 and name HG2+  ) 0.00 0.00  4.8
assign(segid A and resid  23 and name HN   )(segid A and resid  16 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  23 and name HN   )(segid A and resid  16 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  23 and name HN   )(segid A and resid  17 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  24 and name HA   )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  24 and name HB1  )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  24 and name HB2  )(segid A and resid  12 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  24 and name HD2  )(segid A and resid  15 and name HA    ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HD2  )(segid A and resid  15 and name HD1+  ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HD2  )(segid A and resid  15 and name HG2+  ) 0.00 0.00  3.5
assign(segid A and resid  24 and name HD2  )(segid A and resid  16 and name HN    ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HE1  )(segid A and resid  15 and name HG2+  ) 0.00 0.00  3.5
assign(segid A and resid  24 and name HN   )(segid A and resid  61 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  24 and name HN   )(segid A and resid  63 and name HD++ ) 0.00 0.00  4.7

assign(segid A and resid  25 and name HA   )(segid A and resid  60 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  25 and name HB   )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  25 and name HB   )(segid A and resid  13 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  25 and name HG1+ )(segid A and resid  59 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  25 and name HN   )(segid A and resid  12 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  25 and name HN   )(segid A and resid  14 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  25 and name HN   )(segid A and resid  15 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  26 and name HA   )(segid A and resid  12 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  26 and name HB   )(segid A and resid  10 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  26 and name HB   )(segid A and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  26 and name HG1+ )(segid A and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  26 and name HN   )(segid A and resid  58 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  26 and name HN   )(segid A and resid  60 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  27 and name HA   )(segid A and resid  58 and name HD2  ) 0.00 0.00  3.2
assign(segid A and resid  27 and name HG1  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid A and resid  27 and name HG2  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid A and resid  27 and name HN   )(segid A and resid  11 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  27 and name HN   )(segid A and resid  11 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  27 and name HN   )(segid A and resid  12 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  28 and name HN   )(segid A and resid  57 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  28 and name HN   )(segid A and resid  57 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  28 and name HN   )(segid A and resid  57 and name HD21 ) 0.00 0.00  4.0
assign(segid A and resid  28 and name HN   )(segid A and resid  57 and name HD22 ) 0.00 0.00  3.2
assign(segid A and resid  28 and name HN   )(segid A and resid  59 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  28 and name HN   )(segid A and resid  59 and name HG2+ ) 0.00 0.00  4.8

assign(segid A and resid  29 and name HG1  )(segid A and resid   8 and name HA+  ) 0.00 0.00  5.8
assign(segid A and resid  29 and name HG2  )(segid A and resid   8 and name HA+  ) 0.00 0.00  5.8

assign(segid A and resid  33 and name HD++ )(segid A and resid  57 and name HB1  ) 0.00 0.00  5.5

assign(segid A and resid  37 and name HN   )(segid A and resid  54 and name HD1+ ) 0.00 0.00  4.8

assign(segid A and resid  38 and name HA   )(segid A and resid  51 and name HB   ) 0.00 0.00  2.7
assign(segid A and resid  38 and name HG2+ )(segid A and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HG2+ )(segid A and resid  53 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HG2+ )(segid A and resid  53 and name HN   ) 0.00 0.00  4.0 
assign(segid A and resid  38 and name HN   )(segid A and resid  54 and name HD1+ ) 0.00 0.00  4.0
assign(segid A and resid  38 and name HN   )(segid A and resid  54 and name HG1+ ) 0.00 0.00  4.8

assign(segid A and resid  39 and name HA1  )(segid A and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  39 and name HA2  )(segid A and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  39 and name HN   )(segid A and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  39 and name HN   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  39 and name HN   )(segid A and resid  51 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  39 and name HN   )(segid A and resid  51 and name HN   ) 0.00 0.00  3.2

assign(segid A and resid  40 and name HB+  )(segid A and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  40 and name HN   )(segid A and resid  50 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  40 and name HN   )(segid A and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid A and resid  40 and name HN   )(segid A and resid  51 and name HG1+ ) 0.00 0.00  4.8

assign(segid A and resid  41 and name HN   )(segid A and resid  87 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  41 and name HN   )(segid A and resid  87 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  41 and name HN   )(segid A and resid  88 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  41 and name HB1  )(segid A and resid  48 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  41 and name HB2  )(segid A and resid  48 and name HB2  ) 0.00 0.00  4.0

assign(segid A and resid  42 and name HN   )(segid A and resid  49 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  42 and name HN   )(segid A and resid  50 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  43 and name HN   )(segid A and resid  85 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  43 and name HN   )(segid A and resid  86 and name HA   ) 0.00 0.00  5.0

assign(segid A and resid  44 and name HD1  )(segid A and resid  84 and name HG1+ ) 0.00 0.00  4.8

assign(segid A and resid  45 and name HA   )(segid A and resid   6 and name HG2+ ) 0.00 0.00  5.8
assign(segid A and resid  45 and name HN   )(segid A and resid  82 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  45 and name HN   )(segid A and resid  83 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  45 and name HN   )(segid A and resid  84 and name HG1+ ) 0.00 0.00  5.8

assign(segid A and resid  47 and name HB1  )(segid A and resid  73 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  47 and name HB2  )(segid A and resid  73 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  49 and name HD1+ )(segid A and resid  26 and name HG1+ ) 0.00 0.00  6.6
assign(segid A and resid  49 and name HD1+ )(segid A and resid  61 and name HB1  ) 0.00 0.00  4.8
assign(segid A and resid  49 and name HD1+ )(segid A and resid  61 and name HB2  ) 0.00 0.00  4.8
assign(segid A and resid  49 and name HD++ )(segid A and resid  63 and name HG   ) 0.00 0.00  6.5
assign(segid A and resid  49 and name HD++ )(segid A and resid  63 and name HD1+ ) 0.00 0.00  6.3
assign(segid A and resid  49 and name HD++ )(segid A and resid  63 and name HD2+ ) 0.00 0.00  6.3
assign(segid A and resid  49 and name HD2+ )(segid A and resid  73 and name HD1+ ) 0.00 0.00  5.8
assign(segid A and resid  49 and name HD2+ )(segid A and resid  73 and name HD2+ ) 0.00 0.00  5.8
assign(segid A and resid  49 and name HN   )(segid A and resid  42 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  49 and name HN   )(segid A and resid  43 and name HA   ) 0.00 0.00  3.2

assign(segid A and resid  50 and name HA   )(segid A and resid  41 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  50 and name HG2+ )(segid A and resid  39 and name HA+  ) 0.00 0.00  6.6
assign(segid A and resid  50 and name HG2+ )(segid A and resid  39 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid  50 and name HG2+ )(segid A and resid  40 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid  50 and name HN   )(segid A and resid  42 and name HN   ) 0.00 0.00  5.0

assign(segid A and resid  51 and name HA   )(segid A and resid  61 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  51 and name HG1+ )(segid A and resid  37 and name HN   ) 0.00 0.00  5.8
assign(segid A and resid  51 and name HG1+ )(segid A and resid  38 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  51 and name HG1+ )(segid A and resid  40 and name HN   ) 0.00 0.00 4.8
assign(segid A and resid  51 and name HG2+ )(segid A and resid  40 and name HB+  ) 0.00 0.00  4.2
assign(segid A and resid  51 and name HG2+ )(segid A and resid  40 and name HN   ) 0.00 0.00 3.5
assign(segid A and resid  51 and name HN   )(segid A and resid  38 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  51 and name HN   )(segid A and resid  39 and name HA+  ) 0.00 0.00  5.8
assign(segid A and resid  51 and name HN   )(segid A and resid  40 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  51 and name HN   )(segid A and resid  40 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  51 and name HN   )(segid A and resid  41 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  52 and name HG2+ )(segid A and resid  61 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  52 and name HG2+ )(segid A and resid  62 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  52 and name HN   )(segid A and resid  60 and name HB+  ) 0.00 0.00  5.8
assign(segid A and resid  52 and name HN   )(segid A and resid  61 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  53 and name HB+  )(segid A and resid  60 and name HB+  ) 0.00 0.00  4.7
assign(segid A and resid  53 and name HN   )(segid A and resid  59 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  53 and name HN   )(segid A and resid  60 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  53 and name HN   )(segid A and resid  61 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  54 and name HD1+  )(segid A and resid  37 and name HA   ) 0.00 0.00  3.5 
assign(segid A and resid  54 and name HD1+  )(segid A and resid  37 and name HN   ) 0.00 0.00  4.8  
assign(segid A and resid  54 and name HD1+  )(segid A and resid  38 and name HA   ) 0.00 0.00  4.8  
assign(segid A and resid  54 and name HG1+ )(segid A and resid  38 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  54 and name HN   )(segid A and resid  38 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  54 and name HN   )(segid A and resid  38 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  55 and name HD21 )(segid A and resid  25 and name HG1+ ) 0.00 0.00  4.8 
assign(segid A and resid  55 and name HD21 )(segid A and resid  25 and name HG1+ ) 0.00 0.00  5.8
assign(segid A and resid  55 and name HD22 )(segid A and resid  25 and name HG2+ ) 0.00 0.00  4.8 
assign(segid A and resid  55 and name HD22 )(segid A and resid  25 and name HG2+ ) 0.00 0.00  4.8 

assign(segid A and resid  57 and name HB1  )(segid A and resid  27 and name HG+  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HB2  )(segid A and resid  27 and name HG+  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD21 )(segid A and resid  27 and name HB1  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD21 )(segid A and resid  27 and name HB2  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD21 )(segid A and resid  27 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  57 and name HD21 )(segid A and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  57 and name HD21 )(segid A and resid  33 and name HG   ) 0.00 0.00  5.0
assign(segid A and resid  57 and name HD22 )(segid A and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD22 )(segid A and resid  27 and name HB1  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD22 )(segid A and resid  27 and name HB2  ) 0.00 0.00  5.8
assign(segid A and resid  57 and name HD22 )(segid A and resid  27 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  57 and name HD22 )(segid A and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid A and resid  57 and name HD22 )(segid A and resid  33 and name HG   ) 0.00 0.00  5.0

assign(segid A and resid  58 and name HA   )(segid A and resid  28 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HB1  )(segid A and resid  25 and name HG1+ ) 0.00 0.00  3.5
assign(segid A and resid  58 and name HB1  )(segid A and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HB2  )(segid A and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HB2  )(segid A and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  58 and name HD2  )(segid A and resid  13 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  58 and name HD2  )(segid A and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  27 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  27 and name HG1  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  27 and name HG2  ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HD2  )(segid A and resid  27 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  58 and name HD2  )(segid A and resid  28 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HE1  )(segid A and resid  13 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  58 and name HE1  )(segid A and resid  13 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  58 and name HE1  )(segid A and resid  13 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  59 and name HB   )(segid A and resid  26 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  59 and name HG1+ )(segid A and resid  26 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  59 and name HG1+ )(segid A and resid  51 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  59 and name HN   )(segid A and resid  25 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  59 and name HN   )(segid A and resid  26 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  59 and name HN   )(segid A and resid  26 and name HG++ ) 0.00 0.00  4.7
assign(segid A and resid  59 and name HN   )(segid A and resid  26 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  59 and name HN   )(segid A and resid  27 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  60 and name HA   )(segid A and resid  25 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  60 and name HB1  )(segid A and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  60 and name HB2  )(segid A and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  60 and name HN   )(segid A and resid  54 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  60 and name HN   )(segid A and resid  54 and name HG2+ ) 0.00 0.00  5.8

assign(segid A and resid  61 and name HN   )(segid A and resid  23 and name HG2+  ) 0.00 0.00  4.0
assign(segid A and resid  61 and name HN   )(segid A and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  61 and name HN   )(segid A and resid  25 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  61 and name HN   )(segid A and resid  25 and name HG2+  ) 0.00 0.00  4.8
assign(segid A and resid  61 and name HN   )(segid A and resid  52 and name HG2+  ) 0.00 0.00  4.8

assign(segid A and resid  62 and name HA   )(segid A and resid  23 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  62 and name HA   )(segid A and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  62 and name HA   )(segid A and resid  24 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  62 and name HN   )(segid A and resid  50 and name HB   ) 0.00 0.00  5.0
assign(segid A and resid  62 and name HN   )(segid A and resid  52 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  62 and name HN   )(segid A and resid  52 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  63 and name HN   )(segid A and resid  21 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  63 and name HN   )(segid A and resid  21 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  63 and name HN   )(segid A and resid  22 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  63 and name HN   )(segid A and resid  22 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  63 and name HN   )(segid A and resid  23 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  68 and name HA   )(segid A and resid  74 and name HN   ) 0.00 0.00  4.0
assign(segid A and resid  68 and name HG   )(segid A and resid  74 and name HA+  ) 0.00 0.00  3.5

assign(segid A and resid  73 and name HA   )(segid A and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  73 and name HD++ )(segid A and resid  63 and name HD++ ) 0.00 0.00  6.2
assign(segid A and resid  73 and name HG   )(segid A and resid  47 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HG   )(segid A and resid  47 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HN   )(segid A and resid  63 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  74 and name HA1  )(segid A and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  74 and name HA1  )(segid A and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  74 and name HA2  )(segid A and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid A and resid  74 and name HA2  )(segid A and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  74 and name HN   )(segid A and resid  68 and name HD++ ) 0.00 0.00  5.5

assign(segid A and resid  76 and name HB1  )(segid A and resid  12 and name HD++ ) 0.00 0.00  4.7
assign(segid A and resid  76 and name HB2  )(segid A and resid  12 and name HD++ ) 0.00 0.00  4.7

assign(segid A and resid  77 and name HA   )(segid A and resid  15 and name HD1+ ) 0.00 0.00  4.0

assign(segid A and resid  78 and name HA   )(segid A and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  78 and name HA   )(segid A and resid  12 and name HB2  ) 0.00 0.00  3.2
assign(segid A and resid  78 and name HA   )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  78 and name HA   )(segid A and resid  12 and name HG   ) 0.00 0.00  3.2
assign(segid A and resid  78 and name HG1+ )(segid A and resid  12 and name HD++ ) 0.00 0.00  6.3
assign(segid A and resid  78 and name HG1+ )(segid A and resid  13 and name HA   ) 0.00 0.00  3.5
assign(segid A and resid  78 and name HG1+ )(segid A and resid  14 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  78 and name HG1+ )(segid A and resid  14 and name HB+  ) 0.00 0.00  5.6
assign(segid A and resid  78 and name HG1+ )(segid A and resid  14 and name HN   ) 0.00 0.00  5.8
assign(segid A and resid  78 and name HG2+ )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  78 and name HN   )(segid A and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid A and resid  78 and name HN   )(segid A and resid  15 and name HD1+ ) 0.00 0.00  4.0

assign(segid A and resid  79 and name HA+  )(segid A and resid  11 and name HG+  ) 0.00 0.00  5.5
assign(segid A and resid  79 and name HN   )(segid A and resid  11 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  79 and name HN   )(segid A and resid  12 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  79 and name HN   )(segid A and resid  12 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  79 and name HN   )(segid A and resid  12 and name HG   ) 0.00 0.00  4.0
assign(segid A and resid  79 and name HN   )(segid A and resid  12 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  79 and name HN   )(segid A and resid  13 and name HA   ) 0.00 0.00  5.0

assign(segid A and resid  80 and name HN   )(segid A and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  80 and name HN   )(segid A and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid A and resid  80 and name HN   )(segid A and resid  12 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  80 and name HN   )(segid A and resid  12 and name HD++ ) 0.00 0.00  4.7

assign(segid A and resid  81 and name HD1  )(segid A and resid  11 and name HD+   ) 0.00 0.00  4.8
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HB1  ) 0.00 0.00  5.0
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HB2  ) 0.00 0.00  5.0
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HD+  ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HE+  ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HE1  )(segid A and resid  11 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  81 and name HH2  )(segid A and resid  11 and name HD+   ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HZ2  )(segid A and resid  11 and name HB2   ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HZ2  )(segid A and resid  11 and name HD+   ) 0.00 0.00  4.0
assign(segid A and resid  81 and name HZ2  )(segid A and resid  11 and name HE+   ) 0.00 0.00  4.8

assign(segid A and resid  82 and name HG2+ )(segid A and resid  10 and name HB+  ) 0.00 0.00  4.3
assign(segid A and resid  82 and name HG2+ )(segid A and resid  44 and name HB1  ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG2+ )(segid A and resid  44 and name HB2  ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG2+ )(segid A and resid  44 and name HD1  ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG2+ )(segid A and resid  76 and name HD++ ) 0.00 0.00  5.0
assign(segid A and resid  82 and name HG1+ )(segid A and resid  10 and name HN   ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HG1+ )(segid A and resid  11 and name HA   ) 0.00 0.00  5.8
assign(segid A and resid  82 and name HG1+ )(segid A and resid  44 and name HB+  ) 0.00 0.00  5.6
assign(segid A and resid  82 and name HG1+ )(segid A and resid  44 and name HD1  ) 0.00 0.00  5.8
assign(segid A and resid  82 and name HN   )(segid A and resid  10 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  82 and name HN   )(segid A and resid  10 and name HN   ) 0.00 0.00  3.2
assign(segid A and resid  82 and name HN   )(segid A and resid  11 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  83 and name HA   )(segid A and resid   8 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  83 and name HA   )(segid A and resid   9 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  83 and name HA   )(segid A and resid   9 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HA   )(segid A and resid   9 and name HG2+ ) 0.00 0.00  3.5
assign(segid A and resid  83 and name HB1  )(segid A and resid   6 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB1  )(segid A and resid   6 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB1  )(segid A and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB1  )(segid A and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB1  )(segid A and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB2  )(segid A and resid   6 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  83 and name HB2  )(segid A and resid  44 and name HA   ) 0.00 0.00  5.0
assign(segid A and resid  83 and name HB2  )(segid A and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HB2  )(segid A and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HD21 )(segid A and resid   6 and name HB   ) 0.00 0.00  4.0 
assign(segid A and resid  83 and name HN   )(segid A and resid  45 and name HB+  ) 0.00 0.00  4.8
assign(segid A and resid  83 and name HN   )(segid A and resid  45 and name HN   ) 0.00 0.00  4.0

assign(segid A and resid  84 and name HA   )(segid A and resid  44 and name HA   ) 0.00 0.00  2.7
assign(segid A and resid  84 and name HA   )(segid A and resid  45 and name HN   ) 0.00 0.00  5.0
assign(segid A and resid  84 and name HB   )(segid A and resid  32 and name HE+  ) 0.00 0.00  4.0
assign(segid A and resid  84 and name HB   )(segid A and resid  32 and name HG+  ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HB   )(segid A and resid  42 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HB   )(segid A and resid  42 and name HG1+ ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HG1+ )(segid A and resid   9 and name HA   ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HG1+ )(segid A and resid  10 and name HB+  ) 0.00 0.00  4.3
assign(segid A and resid  84 and name HG1+ )(segid A and resid  42 and name HG1+ ) 0.00 0.00  5.6
assign(segid A and resid  84 and name HG1+ )(segid A and resid  44 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  84 and name HG2+ )(segid A and resid   8 and name HA+  ) 0.00 0.00  5.6
assign(segid A and resid  84 and name HG2+ )(segid A and resid   9 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  84 and name HG2+ )(segid A and resid  10 and name HA   ) 0.00 0.00  5.8
assign(segid A and resid  84 and name HG2+ )(segid A and resid  29 and name HD1  ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HG2+ )(segid A and resid  29 and name HD2  ) 0.00 0.00  4.8
assign(segid A and resid  84 and name HG2+ )(segid A and resid  32 and name HE+  ) 0.00 0.00  4.3
assign(segid A and resid  84 and name HG2+ )(segid A and resid  32 and name HG+  ) 0.00 0.00  5.6
assign(segid A and resid  84 and name HN   )(segid A and resid   6 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  84 and name HN   )(segid A and resid   9 and name HA   ) 0.00 0.00  3.2
assign(segid A and resid  84 and name HN   )(segid A and resid   9 and name HG2+ ) 0.00 0.00  4.0

assign(segid A and resid  85 and name HN   )(segid A and resid  42 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid  85 and name HN   )(segid A and resid  42 and name HG1+ ) 0.00 0.00  4.0
assign(segid A and resid  85 and name HN   )(segid A and resid  42 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  85 and name HN   )(segid A and resid  43 and name HB+  ) 0.00 0.00  4.0
assign(segid A and resid  85 and name HN   )(segid A and resid  44 and name HA   ) 0.00 0.00  4.0

assign(segid A and resid  86 and name HN   )(segid A and resid  32 and name HE+  ) 0.00 0.00  4.0

assign(segid A and resid  87 and name HB+  )(segid A and resid  41 and name HB1  ) 0.00 0.00  4.0
assign(segid A and resid  87 and name HB+  )(segid A and resid  41 and name HB2  ) 0.00 0.00  4.0
assign(segid A and resid  87 and name HN   )(segid A and resid  42 and name HA   ) 0.00 0.00  5.0

assign(segid B and resid   2 and name HN   )(segid B and resid   2 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid   2 and name HN   )(segid B and resid   2 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid   2 and name HN   )(segid B and resid   2 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid   3 and name HB   )(segid B and resid   3 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid   3 and name HN   )(segid B and resid   3 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid   3 and name HN   )(segid B and resid   3 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid   3 and name HN   )(segid B and resid   3 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid   4 and name HN   )(segid B and resid   4 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid   5 and name HB   )(segid B and resid   5 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid   5 and name HN   )(segid B and resid   5 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid   5 and name HN   )(segid B and resid   5 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid   5 and name HN   )(segid B and resid   5 and name HD1+ ) 0.00 0.00  5.8
assign(segid B and resid   5 and name HN   )(segid B and resid   5 and name HG11 ) 0.00 0.00  4.0
assign(segid B and resid   5 and name HN   )(segid B and resid   5 and name HG12 ) 0.00 0.00  4.0

assign(segid B and resid   6 and name HA   )(segid B and resid   6 and name HG1+ ) 0.00 0.00  3.5
assign(segid B and resid   6 and name HA   )(segid B and resid   6 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid   6 and name HA   )(segid B and resid   6 and name HN   ) 3.20 0.60  1.0
assign(segid B and resid   6 and name HN   )(segid B and resid   6 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid   6 and name HN   )(segid B and resid   6 and name HG++ ) 0.00 0.00  4.2

assign(segid B and resid   7 and name HN   )(segid B and resid   7 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid   7 and name HN   )(segid B and resid   7 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid   7 and name HN   )(segid B and resid   7 and name HG+  ) 0.00 0.00  3.5

assign(segid B and resid   8 and name HN   )(segid B and resid   8 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid   9 and name HA   )(segid B and resid   9 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid   9 and name HA   )(segid B and resid   9 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid   9 and name HA   )(segid B and resid   9 and name HN   ) 3.20 0.60  1.0
assign(segid B and resid   9 and name HN   )(segid B and resid   9 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  10 and name HN   )(segid B and resid  10 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  10 and name HN   )(segid B and resid  10 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  11 and name HA   )(segid B and resid  11 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid  11 and name HA   )(segid B and resid  11 and name HG1  ) 0.00 0.00  3.2
assign(segid B and resid  11 and name HA   )(segid B and resid  11 and name HG2  ) 0.00 0.00  3.2
assign(segid B and resid  11 and name HA   )(segid B and resid  11 and name HN   ) 3.20 0.60  1.0
assign(segid B and resid  11 and name HB1  )(segid B and resid  11 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  11 and name HB1  )(segid B and resid  11 and name HD+  ) 0.00 0.00  4.0
assign(segid B and resid  11 and name HB1  )(segid B and resid  11 and name HE+  ) 0.00 0.00  4.8
assign(segid B and resid  11 and name HB1  )(segid B and resid  11 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  11 and name HB2  )(segid B and resid  11 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  11 and name HB2  )(segid B and resid  11 and name HD+  ) 0.00 0.00  3.5
assign(segid B and resid  11 and name HB2  )(segid B and resid  11 and name HE+  ) 0.00 0.00  4.8
assign(segid B and resid  11 and name HB2  )(segid B and resid  11 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  12 and name HD++ )(segid B and resid  12 and name HA   ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  12 and name HB1  ) 0.00 0.00  4.2
assign(segid B and resid  12 and name HD++ )(segid B and resid  12 and name HB2  ) 0.00 0.00  4.2
assign(segid B and resid  12 and name HN   )(segid B and resid  12 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  12 and name HN   )(segid B and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  12 and name HN   )(segid B and resid  12 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  13 and name HA   )(segid B and resid  13 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  13 and name HG2+ )(segid B and resid  13 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  13 and name HN   )(segid B and resid  13 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  13 and name HN   )(segid B and resid  13 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  13 and name HN   )(segid B and resid  13 and name HG1+ ) 0.00 0.00  3.5

assign(segid B and resid  14 and name HN   )(segid B and resid  14 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  15 and name HA   )(segid B and resid  15 and name HB   ) 3.20 0.50  1.0
assign(segid B and resid  15 and name HN   )(segid B and resid  15 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  15 and name HN   )(segid B and resid  15 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  15 and name HN   )(segid B and resid  15 and name HD1+ ) 0.00 0.00  5.8
assign(segid B and resid  15 and name HN   )(segid B and resid  15 and name HG1+ ) 0.00 0.00  4.8

assign(segid B and resid  16 and name HN   )(segid B and resid  16 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  16 and name HN   )(segid B and resid  16 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  17 and name HN   )(segid B and resid  17 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  17 and name HN   )(segid B and resid  17 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  17 and name HN   )(segid B and resid  17 and name HB+  ) 0.00 0.00  4.0

assign(segid B and resid  18 and name HE+  )(segid B and resid  18 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  18 and name HN   )(segid B and resid  18 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  18 and name HN   )(segid B and resid  18 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  18 and name HN   )(segid B and resid  18 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  18 and name HN   )(segid B and resid  18 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid  18 and name HN   )(segid B and resid  18 and name HG+  ) 0.00 0.00  4.0

assign(segid B and resid  21 and name HN   )(segid B and resid  21 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  22 and name HE   )(segid B and resid  22 and name HD1  ) 3.20 0.50  1.0
assign(segid B and resid  22 and name HE   )(segid B and resid  22 and name HD2  ) 3.20 0.50  1.0
assign(segid B and resid  22 and name HE   )(segid B and resid  22 and name HG+  ) 0.00 0.00  3.5
assign(segid B and resid  22 and name HN   )(segid B and resid  22 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  22 and name HN   )(segid B and resid  22 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  23 and name HN   )(segid B and resid  23 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  23 and name HN   )(segid B and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  23 and name HN   )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  24 and name HD2  )(segid B and resid  24 and name HA    ) 0.00 0.00  3.2
assign(segid B and resid  24 and name HN   )(segid B and resid  24 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  24 and name HN   )(segid B and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HN   )(segid B and resid  24 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  25 and name HA   )(segid B and resid  25 and name HB   ) 3.00 0.30  0.2
assign(segid B and resid  25 and name HA   )(segid B and resid  25 and name HG1+ ) 0.00 0.00  3.5
assign(segid B and resid  25 and name HA   )(segid B and resid  25 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  25 and name HG1+ )(segid B and resid  25 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  25 and name HN   )(segid B and resid  25 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  25 and name HN   )(segid B and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  25 and name HN   )(segid B and resid  25 and name HG++ ) 0.00 0.00  4.7

assign(segid B and resid  26 and name HA   )(segid B and resid  26 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HA   )(segid B and resid  26 and name HG++ ) 0.00 0.00  4.2
assign(segid B and resid  26 and name HB   )(segid B and resid  26 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HB   )(segid B and resid  26 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  26 and name HG2+ )(segid B and resid  26 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  26 and name HN   )(segid B and resid  26 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  27 and name HA   )(segid B and resid  27 and name HB1  ) 3.20 0.50  1.0
assign(segid B and resid  27 and name HA   )(segid B and resid  27 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  27 and name HN   )(segid B and resid  27 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  27 and name HN   )(segid B and resid  27 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  27 and name HN   )(segid B and resid  27 and name HB2  ) 0.00 0.00  2.7

assign(segid B and resid  28 and name HA   )(segid B and resid  28 and name HB1  ) 3.20 0.50  1.0
assign(segid B and resid  28 and name HA   )(segid B and resid  28 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HN   )(segid B and resid  28 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  28 and name HN   )(segid B and resid  28 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HN   )(segid B and resid  28 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HN   )(segid B and resid  28 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  29 and name HA   )(segid B and resid  29 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  29 and name HA   )(segid B and resid  29 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  29 and name HA   )(segid B and resid  29 and name HD+  ) 0.00 0.00  4.0

assign(segid B and resid  30 and name HN   )(segid B and resid  30 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  30 and name HN   )(segid B and resid  30 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  31 and name HD2  )(segid B and resid  31 and name HB1   ) 0.00 0.00  3.2
assign(segid B and resid  31 and name HD2  )(segid B and resid  31 and name HB2   ) 0.00 0.00  3.2
assign(segid B and resid  31 and name HN   )(segid B and resid  31 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  31 and name HN   )(segid B and resid  31 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  31 and name HN   )(segid B and resid  31 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  32 and name HG+  )(segid B and resid  32 and name HN   ) 0.00 0.00  3.5
assign(segid B and resid  32 and name HN   )(segid B and resid  32 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  32 and name HN   )(segid B and resid  32 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  32 and name HN   )(segid B and resid  32 and name HG+  ) 0.00 0.00  3.5
assign(segid B and resid  32 and name HN   )(segid B and resid  32 and name HG+  ) 0.00 0.00  4.0

assign(segid B and resid  33 and name HD++ )(segid B and resid  33 and name HG   ) 0.00 0.00  4.2
assign(segid B and resid  33 and name HD++ )(segid B and resid  33 and name HN   ) 0.00 0.00  4.7
assign(segid B and resid  33 and name HG   )(segid B and resid  33 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  33 and name HN   )(segid B and resid  33 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  33 and name HN   )(segid B and resid  33 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  33 and name HN   )(segid B and resid  33 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  33 and name HN   )(segid B and resid  33 and name HG   ) 0.00 0.00  2.7

assign(segid B and resid  34 and name HN   )(segid B and resid  34 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  34 and name HN   )(segid B and resid  34 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  35 and name HN   )(segid B and resid  35 and name HA+  ) 0.00 0.00  4.8

assign(segid B and resid  36 and name HA   )(segid B and resid  36 and name HN   ) 3.20 0.60  1.0
assign(segid B and resid  36 and name HN   )(segid B and resid  36 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  36 and name HN   )(segid B and resid  36 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  36 and name HN   )(segid B and resid  36 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  37 and name HN   )(segid B and resid  37 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  37 and name HN   )(segid B and resid  37 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  37 and name HN   )(segid B and resid  37 and name HG+  ) 0.00 0.00  3.5

assign(segid B and resid  38 and name HN   )(segid B and resid  38 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  38 and name HN   )(segid B and resid  38 and name HB   ) 0.00 0.00  4.0

assign(segid B and resid  40 and name HN   )(segid B and resid  40 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  40 and name HN   )(segid B and resid  40 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  41 and name HA   )(segid B and resid  41 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  41 and name HA   )(segid B and resid  41 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  41 and name HN   )(segid B and resid  41 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  41 and name HN   )(segid B and resid  41 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  41 and name HN   )(segid B and resid  41 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  42 and name HN   )(segid B and resid  42 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  42 and name HN   )(segid B and resid  42 and name HB   ) 0.00 0.00  3.2

assign(segid B and resid  43 and name HN   )(segid B and resid  43 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  43 and name HN   )(segid B and resid  43 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  44 and name HN   )(segid B and resid  44 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  44 and name HN   )(segid B and resid  44 and name HD1  ) 0.00 0.00  3.2

assign(segid B and resid  45 and name HA   )(segid B and resid  45 and name HB1  ) 3.20 0.50  1.0
assign(segid B and resid  45 and name HA   )(segid B and resid  45 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  45 and name HD21 )(segid B and resid  45 and name HA   ) 4.00 0.80  1.0
assign(segid B and resid  45 and name HD21 )(segid B and resid  45 and name HA   ) 4.00 0.80  1.0
assign(segid B and resid  45 and name HD21 )(segid B and resid  45 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  45 and name HN   )(segid B and resid  45 and name HA   ) 0.00 0.00  2.7

assign(segid B and resid  46 and name HN   )(segid B and resid  46 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid  47 and name HB1  )(segid B and resid  47 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  47 and name HB2  )(segid B and resid  47 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  47 and name HN   )(segid B and resid  47 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  48 and name HN   )(segid B and resid  48 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  49 and name HA   )(segid B and resid  49 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  49 and name HN   )(segid B and resid  49 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  49 and name HN   )(segid B and resid  49 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  49 and name HN   )(segid B and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid B and resid  50 and name HA   )(segid B and resid  50 and name HB   ) 3.20 0.50  1.0
assign(segid B and resid  50 and name HA   )(segid B and resid  50 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  50 and name HN   )(segid B and resid  50 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  50 and name HN   )(segid B and resid  50 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  50 and name HN   )(segid B and resid  50 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  51 and name HA   )(segid B and resid  51 and name HB   ) 3.20 0.50  1.0
assign(segid B and resid  51 and name HA   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  3.5
assign(segid B and resid  51 and name HA   )(segid B and resid  51 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  51 and name HN   )(segid B and resid  51 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  51 and name HN   )(segid B and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  51 and name HN   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  51 and name HN   )(segid B and resid  51 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  52 and name HA   )(segid B and resid  52 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  52 and name HG2+ )(segid B and resid  52 and name HN   ) 0.00 0.00  3.5
assign(segid B and resid  52 and name HN   )(segid B and resid  52 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  52 and name HN   )(segid B and resid  52 and name HB   ) 0.00 0.00  4.0

assign(segid B and resid  53 and name HA   )(segid B and resid  53 and name HN   ) 3.20 0.60  1.0
assign(segid B and resid  53 and name HG+  )(segid B and resid  53 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  53 and name HN   )(segid B and resid  53 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  53 and name HN   )(segid B and resid  53 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  54 and name HA   )(segid B and resid  54 and name HB   ) 3.20 0.50  1.0
assign(segid B and resid  54 and name HD1+  )(segid B and resid  54 and name HB  ) 0.00 0.00  3.5  
assign(segid B and resid  54 and name HG2+ )(segid B and resid  54 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  54 and name HN   )(segid B and resid  54 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  54 and name HN   )(segid B and resid  54 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  54 and name HN   )(segid B and resid  54 and name HD1+ ) 0.00 0.00  4.8
assign(segid B and resid  54 and name HN   )(segid B and resid  54 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  54 and name HN   )(segid B and resid  54 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  55 and name HN   )(segid B and resid  55 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  55 and name HN   )(segid B and resid  55 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HN   )(segid B and resid  55 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  56 and name HN   )(segid B and resid  56 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid  57 and name HA   )(segid B and resid  57 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  57 and name HA   )(segid B and resid  57 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  57 and name HA   )(segid B and resid  57 and name HD21 ) 0.00 0.00  3.2
assign(segid B and resid  57 and name HN   )(segid B and resid  57 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  57 and name HN   )(segid B and resid  57 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  57 and name HN   )(segid B and resid  57 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  57 and name HN   )(segid B and resid  57 and name HD2+ ) 0.00 0.00  4.8

assign(segid B and resid  58 and name HA   )(segid B and resid  58 and name HD2  ) 0.00 0.00  3.2
assign(segid B and resid  58 and name HD2  )(segid B and resid  58 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  58 and name HD2  )(segid B and resid  58 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  58 and name HB2  ) 4.00 0.80  1.0
assign(segid B and resid  58 and name HN   )(segid B and resid  58 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  58 and name HN   )(segid B and resid  58 and name HB1  ) 3.20 0.50  1.0
assign(segid B and resid  58 and name HN   )(segid B and resid  58 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  59 and name HG1+ )(segid B and resid  59 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  59 and name HN   )(segid B and resid  59 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  59 and name HN   )(segid B and resid  59 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  59 and name HN   )(segid B and resid  59 and name HG++ ) 0.00 0.00  5.5

assign(segid B and resid  60 and name HN   )(segid B and resid  60 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  61 and name HN   )(segid B and resid  61 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  62 and name HN   )(segid B and resid  62 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  62 and name HN   )(segid B and resid  62 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  63 and name HN   )(segid B and resid  63 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  63 and name HN   )(segid B and resid  63 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  63 and name HN   )(segid B and resid  63 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  64 and name HN   )(segid B and resid  64 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  64 and name HN   )(segid B and resid  64 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  65 and name HA   )(segid B and resid  65 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  65 and name HN   )(segid B and resid  65 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  65 and name HN   )(segid B and resid  65 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  65 and name HN   )(segid B and resid  65 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  66 and name HA   )(segid B and resid  66 and name HG+  ) 0.00 0.00  3.5
assign(segid B and resid  66 and name HN   )(segid B and resid  66 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  66 and name HN   )(segid B and resid  66 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  66 and name HN   )(segid B and resid  66 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  67 and name HA   )(segid B and resid  67 and name HB   ) 3.20 0.50  1.0
assign(segid B and resid  67 and name HA   )(segid B and resid  67 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  67 and name HN   )(segid B and resid  67 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  67 and name HN   )(segid B and resid  67 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  67 and name HN   )(segid B and resid  67 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  68 and name HA   )(segid B and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  68 and name HB1  )(segid B and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  68 and name HN   )(segid B and resid  68 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  68 and name HN   )(segid B and resid  68 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  68 and name HN   )(segid B and resid  68 and name HB2  ) 0.00 0.00  2.7
assign(segid B and resid  68 and name HN   )(segid B and resid  68 and name HD1+ ) 0.00 0.00  4.8
assign(segid B and resid  68 and name HN   )(segid B and resid  68 and name HD2+ ) 0.00 0.00  4.8

assign(segid B and resid  69 and name HN   )(segid B and resid  69 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  69 and name HN   )(segid B and resid  69 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  69 and name HN   )(segid B and resid  69 and name HD+  ) 0.00 0.00  4.8

assign(segid B and resid  70 and name HA   )(segid B and resid  70 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  70 and name HB   )(segid B and resid  70 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  70 and name HG2+ )(segid B and resid  70 and name HA   ) 4.00 0.50  1.0 
assign(segid B and resid  70 and name HN   )(segid B and resid  70 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  70 and name HN   )(segid B and resid  70 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  70 and name HN   )(segid B and resid  70 and name HD1+ ) 0.00 0.00  4.8
assign(segid B and resid  70 and name HN   )(segid B and resid  70 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  70 and name HN   )(segid B and resid  70 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  71 and name HA   )(segid B and resid  71 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  71 and name HA   )(segid B and resid  71 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  71 and name HN   )(segid B and resid  71 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  71 and name HN   )(segid B and resid  71 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  71 and name HN   )(segid B and resid  71 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  72 and name HD21 )(segid B and resid  72 and name HB1 ) 0.00 0.00  3.2
assign(segid B and resid  72 and name HD21 )(segid B and resid  72 and name HB2 ) 0.00 0.00  3.2
assign(segid B and resid  72 and name HN   )(segid B and resid  72 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  72 and name HN   )(segid B and resid  72 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  72 and name HN   )(segid B and resid  72 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  73 and name HA   )(segid B and resid  73 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  73 and name HN   )(segid B and resid  73 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  73 and name HN   )(segid B and resid  73 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  73 and name HN   )(segid B and resid  73 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  73 and name HN   )(segid B and resid  73 and name HG   ) 0.00 0.00  2.7

assign(segid B and resid  74 and name HA1  )(segid B and resid  74 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  74 and name HA2  )(segid B and resid  74 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  75 and name HB1  )(segid B and resid  75 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  75 and name HB2  )(segid B and resid  75 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  75 and name HN   )(segid B and resid  75 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  76 and name HA   )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  76 and name HB1  )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  76 and name HB2  )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  76 and name HG   )(segid B and resid  76 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  76 and name HN   )(segid B and resid  76 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  76 and name HN   )(segid B and resid  76 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  76 and name HN   )(segid B and resid  76 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  76 and name HN   )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  76 and name HN   )(segid B and resid  76 and name HG   ) 0.00 0.00  2.7

assign(segid B and resid  77 and name HA   )(segid B and resid  77 and name HE+  ) 0.00 0.00  5.8
assign(segid B and resid  77 and name HA   )(segid B and resid  77 and name HG+  ) 0.00 0.00  3.5
assign(segid B and resid  77 and name HN   )(segid B and resid  77 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  77 and name HN   )(segid B and resid  77 and name HD+  ) 0.00 0.00  5.8
assign(segid B and resid  77 and name HN   )(segid B and resid  77 and name HG+  ) 0.00 0.00  4.0

assign(segid B and resid  78 and name HB   )(segid B and resid  78 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  78 and name HG1+ )(segid B and resid  78 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  78 and name HG2+ )(segid B and resid  78 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  78 and name HN   )(segid B and resid  78 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  78 and name HN   )(segid B and resid  78 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  78 and name HN   )(segid B and resid  78 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  78 and name HN   )(segid B and resid  78 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  79 and name HN   )(segid B and resid  79 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid  80 and name HN   )(segid B and resid  80 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  80 and name HN   )(segid B and resid  80 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  80 and name HN   )(segid B and resid  80 and name HB2  ) 0.00 0.00  2.7

assign(segid B and resid  81 and name HA   )(segid B and resid  81 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  81 and name HA   )(segid B and resid  81 and name HB2  ) 3.20 0.50  1.0
assign(segid B and resid  81 and name HD1  )(segid B and resid  81 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HD1  )(segid B and resid  81 and name HB1  ) 4.00 0.80  1.0
assign(segid B and resid  81 and name HD1  )(segid B and resid  81 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  81 and name HD1  )(segid B and resid  81 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  81 and name HN   )(segid B and resid  81 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  81 and name HN   )(segid B and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HN   )(segid B and resid  81 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  82 and name HN   )(segid B and resid  82 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  82 and name HN   )(segid B and resid  82 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  82 and name HN   )(segid B and resid  82 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  82 and name HN   )(segid B and resid  82 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HA   )(segid B and resid  82 and name HG2+ ) 0.00 0.00  3.5

assign(segid B and resid  83 and name HD21 )(segid B and resid  83 and name HB1  ) 0.00 0.00  3.2 
assign(segid B and resid  83 and name HN   )(segid B and resid  83 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  84 and name HA   )(segid B and resid  84 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  84 and name HA   )(segid B and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid B and resid  84 and name HA   )(segid B and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid B and resid  84 and name HN   )(segid B and resid  84 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  84 and name HN   )(segid B and resid  84 and name HG++ ) 0.00 0.00  4.2
assign(segid B and resid  84 and name HN   )(segid B and resid  84 and name HG++ ) 0.00 0.00  4.2

assign(segid B and resid  85 and name HN   )(segid B and resid  85 and name HA   ) 3.20 0.60  1.0

assign(segid B and resid  86 and name HN   )(segid B and resid  86 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  86 and name HN   )(segid B and resid  86 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  86 and name HN   )(segid B and resid  86 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  87 and name HN   )(segid B and resid  87 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  87 and name HN   )(segid B and resid  87 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  88 and name HN   )(segid B and resid  88 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  88 and name HN   )(segid B and resid  88 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  89 and name HA   )(segid B and resid  89 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  89 and name HN   )(segid B and resid  89 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  89 and name HN   )(segid B and resid  89 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  89 and name HN   )(segid B and resid  89 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  90 and name HN   )(segid B and resid  90 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  90 and name HN   )(segid B and resid  90 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  90 and name HN   )(segid B and resid  90 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  91 and name HN   )(segid B and resid  91 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  91 and name HN   )(segid B and resid  91 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  92 and name HN   )(segid B and resid  92 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  92 and name HN   )(segid B and resid  92 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  93 and name HN   )(segid B and resid  93 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  93 and name HN   )(segid B and resid  93 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  93 and name HN   )(segid B and resid  93 and name HG+  ) 0.00 0.00  4.0

assign(segid B and resid  94 and name HA   )(segid B and resid  94 and name HG11 ) 3.20 0.50  3.0
assign(segid B and resid  94 and name HA   )(segid B and resid  94 and name HG12 ) 3.20 0.50  3.0
assign(segid B and resid  94 and name HN   )(segid B and resid  94 and name HA   ) 3.20 0.60  1.0
assign(segid B and resid  94 and name HN   )(segid B and resid  94 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  94 and name HN   )(segid B and resid  94 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  94 and name HN   )(segid B and resid  94 and name HG2+ ) 4.00 0.80  1.0


assign(segid B and resid   2 and name HN   )(segid B and resid   1 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid   2 and name HN   )(segid B and resid   1 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid   2 and name HN   )(segid B and resid   3 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid   3 and name HG2+ )(segid B and resid   2 and name HN   ) 0.00 0.00  3.5
assign(segid B and resid   3 and name HN   )(segid B and resid   2 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid   3 and name HN   )(segid B and resid   2 and name HB+  ) 0.00 0.00  4.0

assign(segid B and resid   4 and name HN   )(segid B and resid   3 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid   4 and name HN   )(segid B and resid   3 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid   4 and name HN   )(segid B and resid   3 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid   4 and name HN   )(segid B and resid   5 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid   5 and name HA   )(segid B and resid   4 and name HA+  ) 0.00 0.00  4.8
assign(segid B and resid   5 and name HN   )(segid B and resid   4 and name HA+  ) 0.00 0.00  4.8
assign(segid B and resid   5 and name HN   )(segid B and resid   6 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid   6 and name HA   )(segid B and resid   7 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid   6 and name HN   )(segid B and resid   5 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid   6 and name HN   )(segid B and resid   7 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid   7 and name HA   )(segid B and resid   6 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid   7 and name HN   )(segid B and resid   6 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid   7 and name HN   )(segid B and resid   8 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid   8 and name HN   )(segid B and resid   7 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid   8 and name HN   )(segid B and resid   7 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid   8 and name HN   )(segid B and resid   9 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid   9 and name HN   )(segid B and resid   8 and name HA+  ) 0.00 0.00  3.5
assign(segid B and resid   9 and name HN   )(segid B and resid  10 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  10 and name HN   )(segid B and resid   9 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  10 and name HN   )(segid B and resid   9 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  10 and name HN   )(segid B and resid   9 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  11 and name HN   )(segid B and resid  10 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  11 and name HN   )(segid B and resid  10 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  11 and name HN   )(segid B and resid  10 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  11 and name HN   )(segid B and resid  12 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  12 and name HN   )(segid B and resid  11 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  12 and name HN   )(segid B and resid  11 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  12 and name HN   )(segid B and resid  13 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  13 and name HG1+ )(segid B and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  13 and name HG1+ )(segid B and resid  12 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  13 and name HG1+ )(segid B and resid  14 and name HB+  ) 0.00 0.00  5.6
assign(segid B and resid  13 and name HN   )(segid B and resid  12 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  13 and name HN   )(segid B and resid  12 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  13 and name HN   )(segid B and resid  12 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  13 and name HN   )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  14 and name HB+  )(segid B and resid  13 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  14 and name HB1  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  14 and name HB2  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  14 and name HN   )(segid B and resid  13 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  14 and name HN   )(segid B and resid  13 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  14 and name HN   )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  14 and name HN   )(segid B and resid  13 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  14 and name HN   )(segid B and resid  13 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  15 and name HN   )(segid B and resid  14 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  15 and name HN   )(segid B and resid  14 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  15 and name HN   )(segid B and resid  14 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  16 and name HA   )(segid B and resid  15 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  16 and name HA   )(segid B and resid  15 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  16 and name HN   )(segid B and resid  15 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  16 and name HN   )(segid B and resid  15 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  16 and name HN   )(segid B and resid  15 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  16 and name HN   )(segid B and resid  15 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  17 and name HN   )(segid B and resid  16 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  17 and name HN   )(segid B and resid  16 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  17 and name HN   )(segid B and resid  16 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  17 and name HN   )(segid B and resid  18 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  18 and name HB1  )(segid B and resid  19 and name HD+  ) 0.00 0.00  4.0
assign(segid B and resid  18 and name HD+  )(segid B and resid  19 and name HD+  ) 0.00 0.00  5.6
assign(segid B and resid  18 and name HN   )(segid B and resid  17 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  18 and name HN   )(segid B and resid  17 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  18 and name HN   )(segid B and resid  17 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  18 and name HN   )(segid B and resid  17 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  18 and name HN   )(segid B and resid  19 and name HD+  ) 0.00 0.00  5.8

assign(segid B and resid  20 and name HD22 )(segid B and resid  21 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  20 and name HN   )(segid B and resid  19 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  20 and name HN   )(segid B and resid  21 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  21 and name HN   )(segid B and resid  20 and name HA   ) 3.00 0.00  1.0
assign(segid B and resid  21 and name HN   )(segid B and resid  20 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  22 and name HN   )(segid B and resid  21 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  22 and name HN   )(segid B and resid  21 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  22 and name HN   )(segid B and resid  21 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  22 and name HN   )(segid B and resid  21 and name HD+  ) 0.00 0.00  5.2
assign(segid B and resid  22 and name HN   )(segid B and resid  21 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  23 and name HB   )(segid B and resid  22 and name HA    ) 0.00 0.00  5.0
assign(segid B and resid  23 and name HB   )(segid B and resid  24 and name HN    ) 0.00 0.00  5.0
assign(segid B and resid  23 and name HN   )(segid B and resid  22 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  23 and name HN   )(segid B and resid  22 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  23 and name HN   )(segid B and resid  22 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  23 and name HN   )(segid B and resid  22 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  24 and name HA   )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  24 and name HA   )(segid B and resid  25 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HD2  )(segid B and resid  25 and name HN    ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HN   )(segid B and resid  23 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  24 and name HN   )(segid B and resid  23 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  24 and name HN   )(segid B and resid  23 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  25 and name HN   )(segid B and resid  24 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  25 and name HN   )(segid B and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  25 and name HN   )(segid B and resid  24 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  25 and name HN   )(segid B and resid  24 and name HD2  ) 0.00 0.00  4.0
assign(segid B and resid  25 and name HN   )(segid B and resid  24 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  26 and name HA   )(segid B and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HB   )(segid B and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HB   )(segid B and resid  27 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HG2+ )(segid B and resid  27 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid  26 and name HN   )(segid B and resid  25 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HN   )(segid B and resid  25 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  26 and name HN   )(segid B and resid  25 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  26 and name HN   )(segid B and resid  25 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  26 and name HN   )(segid B and resid  27 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  27 and name HN   )(segid B and resid  26 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  27 and name HN   )(segid B and resid  26 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  27 and name HN   )(segid B and resid  28 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  28 and name HA   )(segid B and resid  29 and name HD1  ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HA   )(segid B and resid  29 and name HD2  ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HB1  )(segid B and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid  28 and name HB2  )(segid B and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid  28 and name HD++ )(segid B and resid  29 and name HD1  ) 0.00 0.00  4.7
assign(segid B and resid  28 and name HD++ )(segid B and resid  29 and name HD2  ) 0.00 0.00  4.7
assign(segid B and resid  28 and name HN   )(segid B and resid  27 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  28 and name HN   )(segid B and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  28 and name HN   )(segid B and resid  27 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  28 and name HN   )(segid B and resid  29 and name HD+  ) 0.00 0.00  5.8

assign(segid B and resid  30 and name HN   )(segid B and resid  29 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  30 and name HN   )(segid B and resid  29 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  30 and name HN   )(segid B and resid  29 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  30 and name HN   )(segid B and resid  29 and name HG+  ) 0.00 0.00  5.8
assign(segid B and resid  30 and name HN   )(segid B and resid  31 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  31 and name HN   )(segid B and resid  30 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  31 and name HN   )(segid B and resid  30 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  31 and name HN   )(segid B and resid  32 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  32 and name HN   )(segid B and resid  31 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  32 and name HN   )(segid B and resid  31 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  32 and name HN   )(segid B and resid  31 and name HB2  ) 0.00 0.00  5.0

assign(segid B and resid  33 and name HN   )(segid B and resid  32 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  33 and name HN   )(segid B and resid  32 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  33 and name HN   )(segid B and resid  32 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  33 and name HN   )(segid B and resid  34 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  34 and name HN   )(segid B and resid  33 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  34 and name HN   )(segid B and resid  33 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  34 and name HN   )(segid B and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  34 and name HN   )(segid B and resid  33 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  35 and name HA1  )(segid B and resid  36 and name HN   ) 3.20 0.50  1.0
assign(segid B and resid  35 and name HA2  )(segid B and resid  36 and name HN   ) 3.20 0.50  1.0
assign(segid B and resid  35 and name HN   )(segid B and resid  34 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  35 and name HN   )(segid B and resid  34 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  36 and name HN   )(segid B and resid  35 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  37 and name HN   )(segid B and resid  36 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  37 and name HN   )(segid B and resid  36 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  37 and name HN   )(segid B and resid  36 and name HG   ) 0.00 0.00  3.2

assign(segid B and resid  38 and name HN   )(segid B and resid  37 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  38 and name HN   )(segid B and resid  37 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HN   )(segid B and resid  37 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HN   )(segid B and resid  37 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  39 and name HN   )(segid B and resid  38 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  39 and name HN   )(segid B and resid  38 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  39 and name HN   )(segid B and resid  38 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  39 and name HN   )(segid B and resid  38 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  39 and name HN   )(segid B and resid  40 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  40 and name HN   )(segid B and resid  39 and name HA+  ) 0.00 0.00  4.0

assign(segid B and resid  41 and name HN   )(segid B and resid  40 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  41 and name HN   )(segid B and resid  40 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  41 and name HN   )(segid B and resid  40 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  41 and name HN   )(segid B and resid  40 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  41 and name HN   )(segid B and resid  42 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  42 and name HN   )(segid B and resid  41 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  42 and name HN   )(segid B and resid  41 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  42 and name HN   )(segid B and resid  41 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  43 and name HN   )(segid B and resid  42 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  43 and name HN   )(segid B and resid  42 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  44 and name HD1  )(segid B and resid  43 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  44 and name HN   )(segid B and resid  43 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  44 and name HN   )(segid B and resid  43 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  44 and name HN   )(segid B and resid  43 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  44 and name HN   )(segid B and resid  45 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  45 and name HN   )(segid B and resid  44 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  45 and name HN   )(segid B and resid  46 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  46 and name HN   )(segid B and resid  45 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  46 and name HN   )(segid B and resid  45 and name HB1  ) 4.00 0.80  1.0
assign(segid B and resid  46 and name HN   )(segid B and resid  45 and name HB2  ) 3.20 0.50  1.8

assign(segid B and resid  47 and name HN   )(segid B and resid  46 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  47 and name HN   )(segid B and resid  48 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  48 and name HN   )(segid B and resid  47 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  48 and name HN   )(segid B and resid  47 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  48 and name HN   )(segid B and resid  49 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  49 and name HN   )(segid B and resid  48 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  49 and name HN   )(segid B and resid  48 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  49 and name HN   )(segid B and resid  48 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  49 and name HN   )(segid B and resid  50 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  50 and name HN   )(segid B and resid  49 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  50 and name HN   )(segid B and resid  49 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  50 and name HN   )(segid B and resid  49 and name HD1+ ) 0.00 0.00  4.8
assign(segid B and resid  50 and name HN   )(segid B and resid  51 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  51 and name HG2+ )(segid B and resid  50 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  51 and name HN   )(segid B and resid  50 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  51 and name HN   )(segid B and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  51 and name HN   )(segid B and resid  52 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  52 and name HN   )(segid B and resid  51 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  52 and name HN   )(segid B and resid  51 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  52 and name HN   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  4.0

assign(segid B and resid  53 and name HN   )(segid B and resid  52 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  53 and name HN   )(segid B and resid  52 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  53 and name HN   )(segid B and resid  52 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  53 and name HN   )(segid B and resid  52 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  54 and name HN   )(segid B and resid  53 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  54 and name HN   )(segid B and resid  53 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  54 and name HN   )(segid B and resid  53 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  54 and name HN   )(segid B and resid  53 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  55 and name HN   )(segid B and resid  54 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  55 and name HN   )(segid B and resid  54 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  55 and name HN   )(segid B and resid  54 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  55 and name HN   )(segid B and resid  54 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  55 and name HN   )(segid B and resid  54 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  56 and name HN   )(segid B and resid  55 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  56 and name HN   )(segid B and resid  55 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  56 and name HN   )(segid B and resid  57 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  57 and name HN   )(segid B and resid  56 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid  58 and name HD2  )(segid B and resid  59 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  58 and name HN   )(segid B and resid  57 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  58 and name HN   )(segid B and resid  57 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  58 and name HN   )(segid B and resid  57 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  58 and name HN   )(segid B and resid  59 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  59 and name HG2+ )(segid B and resid  58 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  59 and name HN   )(segid B and resid  58 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  59 and name HN   )(segid B and resid  58 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  59 and name HN   )(segid B and resid  58 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  60 and name HN   )(segid B and resid  59 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  60 and name HN   )(segid B and resid  59 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  60 and name HN   )(segid B and resid  59 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  61 and name HN   )(segid B and resid  60 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  61 and name HN   )(segid B and resid  60 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  61 and name HN   )(segid B and resid  60 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  62 and name HA   )(segid B and resid  63 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  62 and name HA   )(segid B and resid  63 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  62 and name HA   )(segid B and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  62 and name HN   )(segid B and resid  61 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  62 and name HN   )(segid B and resid  61 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  62 and name HN   )(segid B and resid  61 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  62 and name HN   )(segid B and resid  63 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  63 and name HN   )(segid B and resid  62 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  63 and name HN   )(segid B and resid  62 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  63 and name HN   )(segid B and resid  62 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  63 and name HN   )(segid B and resid  64 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  64 and name HN   )(segid B and resid  63 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  64 and name HN   )(segid B and resid  63 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  64 and name HN   )(segid B and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  64 and name HN   )(segid B and resid  65 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  65 and name HN   )(segid B and resid  64 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  65 and name HN   )(segid B and resid  64 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  66 and name HA   )(segid B and resid  65 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  66 and name HN   )(segid B and resid  65 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  66 and name HN   )(segid B and resid  65 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  66 and name HN   )(segid B and resid  65 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  66 and name HN   )(segid B and resid  67 and name HN   ) 0.00 0.00  3.2 

assign(segid B and resid  67 and name HN   )(segid B and resid  66 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  67 and name HN   )(segid B and resid  66 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  67 and name HN   )(segid B and resid  66 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  67 and name HN   )(segid B and resid  68 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  68 and name HN   )(segid B and resid  67 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  68 and name HN   )(segid B and resid  67 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  68 and name HN   )(segid B and resid  67 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  69 and name HN   )(segid B and resid  68 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  69 and name HN   )(segid B and resid  68 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  69 and name HN   )(segid B and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  69 and name HN   )(segid B and resid  68 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  70 and name HB   )(segid B and resid  71 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  70 and name HN   )(segid B and resid  69 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  70 and name HN   )(segid B and resid  69 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  70 and name HN   )(segid B and resid  69 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  70 and name HN   )(segid B and resid  71 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  71 and name HN   )(segid B and resid  70 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  71 and name HN   )(segid B and resid  70 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  71 and name HN   )(segid B and resid  70 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  71 and name HN   )(segid B and resid  70 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  71 and name HN   )(segid B and resid  72 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  72 and name HN   )(segid B and resid  71 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  72 and name HN   )(segid B and resid  71 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  72 and name HN   )(segid B and resid  71 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  72 and name HN   )(segid B and resid  73 and name HD++  ) 0.00 0.00  5.5 
assign(segid B and resid  72 and name HN   )(segid B and resid  73 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  72 and name HN   )(segid B and resid  73 and name HG   ) 0.00 0.00  4.0

assign(segid B and resid  73 and name HN   )(segid B and resid  72 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  73 and name HN   )(segid B and resid  72 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  73 and name HN   )(segid B and resid  72 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  73 and name HN   )(segid B and resid  72 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  74 and name HA1  )(segid B and resid  75 and name HN   ) 3.20 0.50  1.0
assign(segid B and resid  74 and name HA2  )(segid B and resid  75 and name HN   ) 3.20 0.50  1.0
assign(segid B and resid  74 and name HN   )(segid B and resid  73 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  74 and name HN   )(segid B and resid  73 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  74 and name HN   )(segid B and resid  73 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  75 and name HN   )(segid B and resid  74 and name HA1  ) 3.20 0.50  1.0
assign(segid B and resid  75 and name HN   )(segid B and resid  74 and name HA2  ) 3.20 0.50  1.0
assign(segid B and resid  75 and name HN   )(segid B and resid  74 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  75 and name HN   )(segid B and resid  76 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  76 and name HB1  )(segid B and resid  77 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  76 and name HB2  )(segid B and resid  77 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  76 and name HN   )(segid B and resid  75 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  76 and name HN   )(segid B and resid  75 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  76 and name HN   )(segid B and resid  75 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  76 and name HN   )(segid B and resid  77 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  77 and name HN   )(segid B and resid  76 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  77 and name HN   )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  77 and name HN   )(segid B and resid  76 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  77 and name HN   )(segid B and resid  78 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  78 and name HG1+ )(segid B and resid  79 and name HA+  ) 0.00 0.00  4.3
assign(segid B and resid  78 and name HG1+ )(segid B and resid  79 and name HN   ) 0.00 0.00  3.5
assign(segid B and resid  78 and name HG2+ )(segid B and resid  79 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid  78 and name HN   )(segid B and resid  77 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  78 and name HN   )(segid B and resid  77 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  78 and name HN   )(segid B and resid  77 and name HD+  ) 0.00 0.00  5.8
assign(segid B and resid  78 and name HN   )(segid B and resid  77 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  78 and name HN   )(segid B and resid  79 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  79 and name HN   )(segid B and resid  78 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  79 and name HN   )(segid B and resid  78 and name HB   ) 4.00 0.80  1.0
assign(segid B and resid  79 and name HN   )(segid B and resid  78 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  79 and name HN   )(segid B and resid  78 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  80 and name HB1  )(segid B and resid  81 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  80 and name HB2  )(segid B and resid  81 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  80 and name HN   )(segid B and resid  79 and name HA1  ) 3.20 0.50  1.0
assign(segid B and resid  80 and name HN   )(segid B and resid  79 and name HA2  ) 3.20 0.50  1.0
assign(segid B and resid  80 and name HN   )(segid B and resid  79 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  81 and name HN   )(segid B and resid  80 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  81 and name HN   )(segid B and resid  80 and name HN   ) 4.00 0.80  2.0
assign(segid B and resid  81 and name HN   )(segid B and resid  82 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  82 and name HG1+ )(segid B and resid  81 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HN   )(segid B and resid  81 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  82 and name HN   )(segid B and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  82 and name HN   )(segid B and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  82 and name HN   )(segid B and resid  83 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  83 and name HN   )(segid B and resid  82 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  83 and name HN   )(segid B and resid  84 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  84 and name HG2+ )(segid B and resid  83 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HN   )(segid B and resid  83 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  84 and name HN   )(segid B and resid  83 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  84 and name HN   )(segid B and resid  83 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  84 and name HN   )(segid B and resid  85 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  85 and name HN   )(segid B and resid  84 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  85 and name HN   )(segid B and resid  84 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  85 and name HN   )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  85 and name HN   )(segid B and resid  86 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  86 and name HN   )(segid B and resid  85 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  86 and name HN   )(segid B and resid  87 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  87 and name HB+  )(segid B and resid  88 and name HN   ) 0.00 0.00  3.5
assign(segid B and resid  87 and name HN   )(segid B and resid  86 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  87 and name HN   )(segid B and resid  86 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  87 and name HN   )(segid B and resid  86 and name HG+  ) 0.00 0.00  5.8
assign(segid B and resid  87 and name HN   )(segid B and resid  88 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  88 and name HA   )(segid B and resid  89 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid  88 and name HN   )(segid B and resid  87 and name HA   ) 0.00 0.00  2.7

assign(segid B and resid  89 and name HN   )(segid B and resid  88 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  89 and name HN   )(segid B and resid  88 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  90 and name HN   )(segid B and resid  89 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  91 and name HN   )(segid B and resid  90 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  91 and name HN   )(segid B and resid  90 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  91 and name HN   )(segid B and resid  90 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  91 and name HN   )(segid B and resid  90 and name HB2  ) 0.00 0.00  3.2

assign(segid B and resid  92 and name HN   )(segid B and resid  91 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  92 and name HN   )(segid B and resid  91 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  92 and name HN   )(segid B and resid  91 and name HN   ) 4.00 0.80  2.0

assign(segid B and resid  93 and name HN   )(segid B and resid  92 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  93 and name HN   )(segid B and resid  92 and name HB+  ) 0.00 0.00  3.5
assign(segid B and resid  93 and name HN   )(segid B and resid  92 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  93 and name HN   )(segid B and resid  94 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  94 and name HN   )(segid B and resid  93 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  94 and name HN   )(segid B and resid  93 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  94 and name HN   )(segid B and resid  93 and name HG+  ) 0.00 0.00  5.8
assign(segid B and resid  94 and name HN   )(segid B and resid  95 and name HN   ) 0.00 0.00  2.7

assign(segid B and resid  95 and name HN   )(segid B and resid  94 and name HA   ) 3.20 0.50  1.0
assign(segid B and resid  95 and name HN   )(segid B and resid  94 and name HN   ) 0.00 0.00  2.7
assign(segid B and resid  95 and name HN   )(segid B and resid  96 and name HN   ) 4.00 0.80  2.0

 assign(segid B and resid  38 and name HN   )(segid B and resid  40 and name HN   ) 0.00 0.00  5.0


assign(segid B and resid   3 and name HB   )(segid B and resid   5 and name HD1+ ) 0.00 0.00  4.0
assign(segid B and resid   3 and name HB   )(segid B and resid   5 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid   3 and name HB   )(segid B and resid   5 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid   3 and name HB   )(segid B and resid   5 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid   4 and name HN   )(segid B and resid   2 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid   4 and name HN   )(segid B and resid   2 and name HD+  ) 0.00 0.00  5.5

assign(segid B and resid   5 and name HN   )(segid B and resid   3 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid   5 and name HN   )(segid B and resid   3 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid   8 and name HN   )(segid B and resid   6 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid   8 and name HN   )(segid B and resid   6 and name HG1+ ) 0.00 0.00  3.5
assign(segid B and resid   8 and name HN   )(segid B and resid   6 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  11 and name HE+  )(segid B and resid  13 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  12 and name HD++ )(segid B and resid  15 and name HD1+ ) 0.00 0.00  5.2

assign(segid B and resid  13 and name HG1+ )(segid B and resid  11 and name HE+  ) 0.00 0.00  5.6

assign(segid B and resid  14 and name HN   )(segid B and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  14 and name HN   )(segid B and resid  12 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  14 and name HN   )(segid B and resid  12 and name HG   ) 0.00 0.00  4.0

assign(segid B and resid  17 and name HN   )(segid B and resid  15 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  18 and name HN   )(segid B and resid  22 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  20 and name HD22 )(segid B and resid  18 and name HB1  ) 0.00 0.00  5.8 

assign(segid B and resid  21 and name HN   )(segid B and resid  18 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  21 and name HN   )(segid B and resid  18 and name HD+  ) 0.00 0.00  5.8
assign(segid B and resid  21 and name HN   )(segid B and resid  18 and name HE+  ) 0.00 0.00  5.8
assign(segid B and resid  21 and name HN   )(segid B and resid  18 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  21 and name HN   )(segid B and resid  18 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  21 and name HN   )(segid B and resid  19 and name HD+  ) 0.00 0.00  5.8

assign(segid B and resid  22 and name HA   )(segid B and resid  17 and name HA    ) 0.00 0.00  2.7
assign(segid B and resid  22 and name HA   )(segid B and resid  18 and name HG+   ) 0.00 0.00  4.8
assign(segid B and resid  22 and name HB+  )(segid B and resid  17 and name HA    ) 0.00 0.00  4.8
assign(segid B and resid  22 and name HD+  )(segid B and resid  17 and name HG+   ) 0.00 0.00  5.6
assign(segid B and resid  22 and name HE   )(segid B and resid  24 and name HD2  ) 0.00 0.00  5.0
assign(segid B and resid  22 and name HN   )(segid B and resid  18 and name HG+  ) 0.00 0.00  5.8

assign(segid B and resid  23 and name HN   )(segid B and resid  18 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  28 and name HD++ )(segid B and resid  33 and name HN   ) 0.00 0.00  6.5
assign(segid B and resid  28 and name HN   )(segid B and resid  26 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  30 and name HA   )(segid B and resid  33 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  30 and name HA   )(segid B and resid  33 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  30 and name HB+  )(segid B and resid  33 and name HD++ ) 0.00 0.00  6.3
assign(segid B and resid  30 and name HN   )(segid B and resid  33 and name HD++ ) 0.00 0.00  4.7 
assign(segid B and resid  30 and name HN   )(segid B and resid  33 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  31 and name HN   )(segid B and resid  29 and name HD+  ) 0.00 0.00  5.8
assign(segid B and resid  31 and name HN   )(segid B and resid  29 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  32 and name HN   )(segid B and resid  29 and name HD+  ) 0.00 0.00 4.8
assign(segid B and resid  32 and name HN   )(segid B and resid  29 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  32 and name HN   )(segid B and resid  30 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  33 and name HA   )(segid B and resid  28 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  33 and name HN   )(segid B and resid  31 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  34 and name HN   )(segid B and resid  31 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  37 and name HN   )(segid B and resid  40 and name HB+  ) 0.00 0.00  3.5

assign(segid B and resid  40 and name HB+  )(segid B and resid  36 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  40 and name HB+  )(segid B and resid  36 and name HD++ ) 0.00 0.00  5.0 
assign(segid B and resid  40 and name HN   )(segid B and resid  36 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  40 and name HN   )(segid B and resid  38 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  44 and name HD1  )(segid B and resid  42 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  44 and name HD1  )(segid B and resid  42 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  44 and name HD1  )(segid B and resid  42 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  44 and name HD1  )(segid B and resid  49 and name HD2+ ) 0.00 0.00  5.8
assign(segid B and resid  44 and name HN   )(segid B and resid  48 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  44 and name HN   )(segid B and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid B and resid  46 and name HN   )(segid B and resid  43 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  46 and name HA1  )(segid B and resid  43 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  46 and name HA2  )(segid B and resid  43 and name HB+  ) 0.00 0.00  5.8

assign(segid B and resid  47 and name HN   )(segid B and resid  44 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  47 and name HN   )(segid B and resid  44 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  47 and name HN   )(segid B and resid  49 and name HD2+ ) 0.00 0.00  4.8

assign(segid B and resid  48 and name HA   )(segid B and resid  43 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  48 and name HA   )(segid B and resid  43 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  51 and name HG1+ )(segid B and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  51 and name HG1+ )(segid B and resid  54 and name HD1+ ) 0.00 0.00  5.6
assign(segid B and resid  51 and name HG1+ )(segid B and resid  54 and name HG1+ ) 0.00 0.00  5.6

assign(segid B and resid  53 and name HN   )(segid B and resid  51 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  53 and name HN   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  4.0

assign(segid B and resid  54 and name HA   )(segid B and resid  58 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  54 and name HA   )(segid B and resid  58 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  54 and name HA   )(segid B and resid  59 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  55 and name HD21 )(segid B and resid  53 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  55 and name HD21 )(segid B and resid  53 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  55 and name HD21 )(segid B and resid  58 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  55 and name HD21 )(segid B and resid  58 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  55 and name HD22 )(segid B and resid  53 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HD22 )(segid B and resid  53 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HN   )(segid B and resid  58 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HN   )(segid B and resid  58 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HN   )(segid B and resid  59 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  55 and name HN   )(segid B and resid  59 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  55 and name HN   )(segid B and resid  60 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  56 and name HN   )(segid B and resid  54 and name HG1+ ) 0.00 0.00  5.8
assign(segid B and resid  56 and name HN   )(segid B and resid  54 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  58 and name HB1  )(segid B and resid  55 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HB2  )(segid B and resid  55 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HB2  )(segid B and resid  55 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  58 and name HB2  )(segid B and resid  55 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  58 and name HN   )(segid B and resid  54 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  58 and name HN   )(segid B and resid  55 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  58 and name HN   )(segid B and resid  55 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  58 and name HN   )(segid B and resid  56 and name HA+  ) 0.00 0.00  4.8

assign(segid B and resid  59 and name HG1+ )(segid B and resid  54 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  59 and name HG2+ )(segid B and resid  54 and name HA   ) 0.00 0.00  4.0


assign(segid B and resid  63 and name HD++ )(segid B and resid  68 and name HD++  ) 0.00 0.00  5.7

assign(segid B and resid  64 and name HN   )(segid B and resid  67 and name HB   ) 0.00 0.00  4.0

assign(segid B and resid  65 and name HA   )(segid B and resid  68 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  65 and name HA   )(segid B and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  65 and name HN   )(segid B and resid  68 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  66 and name HA   )(segid B and resid  69 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  66 and name HN   )(segid B and resid  68 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  67 and name HA   )(segid B and resid  70 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  67 and name HN   )(segid B and resid  64 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  67 and name HN   )(segid B and resid  64 and name HG+  ) 0.00 0.00  4.8

assign(segid B and resid  68 and name HB1  )(segid B and resid  65 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  68 and name HB2  )(segid B and resid  65 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  68 and name HD++ )(segid B and resid  73 and name HB+  ) 0.00 0.00  6.3
assign(segid B and resid  68 and name HN   )(segid B and resid  65 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  69 and name HB1  )(segid B and resid  66 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  69 and name HB2  )(segid B and resid  66 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  69 and name HN   )(segid B and resid  66 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  70 and name HD1+ )(segid B and resid  66 and name HG+  ) 0.00 0.00  4.0
assign(segid B and resid  70 and name HD1+ )(segid B and resid  67 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  70 and name HN   )(segid B and resid  67 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  71 and name HB   )(segid B and resid  68 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  71 and name HB   )(segid B and resid  73 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  71 and name HB   )(segid B and resid  73 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  71 and name HG2+ )(segid B and resid  73 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  71 and name HN   )(segid B and resid  67 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  71 and name HN   )(segid B and resid  67 and name HG2+ ) 0.00 0.00  5.8
assign(segid B and resid  71 and name HN   )(segid B and resid  68 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  71 and name HN   )(segid B and resid  69 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  71 and name HN   )(segid B and resid  73 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  71 and name HN   )(segid B and resid  73 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  73 and name HN   )(segid B and resid  68 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  73 and name HN   )(segid B and resid  68 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  73 and name HN   )(segid B and resid  71 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  73 and name HN   )(segid B and resid  71 and name HB   ) 0.00 0.00  3.2

assign(segid B and resid  74 and name HN   )(segid B and resid  69 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  74 and name HN   )(segid B and resid  72 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  74 and name HN   )(segid B and resid  76 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  74 and name HN   )(segid B and resid  76 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  75 and name HN   )(segid B and resid  72 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  75 and name HN   )(segid B and resid  72 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  75 and name HN   )(segid B and resid  73 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  76 and name HD++ )(segid B and resid  73 and name HA   ) 0.00 0.00  4.2
assign(segid B and resid  76 and name HG   )(segid B and resid  73 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  76 and name HN   )(segid B and resid  73 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  76 and name HN   )(segid B and resid  74 and name HA+  ) 0.00 0.00  5.8

assign(segid B and resid  77 and name HN   )(segid B and resid  80 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  77 and name HN   )(segid B and resid  80 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  77 and name HN   )(segid B and resid  80 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  78 and name HA   )(segid B and resid  80 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  80 and name HN   )(segid B and resid  77 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  80 and name HN   )(segid B and resid  78 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  80 and name HN   )(segid B and resid  78 and name HG1+ ) 0.00 0.00  4.8

assign(segid B and resid  82 and name HB   )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG1+ )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.3
assign(segid B and resid  82 and name HG2+ )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG1+ )(segid B and resid  84 and name HN   ) 0.00 0.00  4.8

assign(segid B and resid  90 and name HN   )(segid B and resid  88 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  93 and name HN   )(segid B and resid  91 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  93 and name HN   )(segid B and resid  91 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  94 and name HG2+ )(segid B and resid  96 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  38 and name HB   )(segid B and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HB   )(segid B and resid  54 and name HD1+ ) 0.00 0.00  4.0

assign(segid B and resid   7 and name HB+  )(segid B and resid  86 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid   7 and name HN   )(segid B and resid  85 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid   8 and name HA+  )(segid B and resid  29 and name HG+  ) 0.00 0.00  6.6
assign(segid B and resid   8 and name HN   )(segid B and resid  84 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid   8 and name HN   )(segid B and resid  84 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid   9 and name HB   )(segid B and resid  81 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid   9 and name HB   )(segid B and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid   9 and name HN   )(segid B and resid  29 and name HD+  ) 0.00 0.00  4.8
assign(segid B and resid   9 and name HN   )(segid B and resid  29 and name HG1  ) 0.00 0.00  5.0
assign(segid B and resid   9 and name HN   )(segid B and resid  29 and name HG2  ) 0.00 0.00  5.0
assign(segid B and resid   9 and name HN   )(segid B and resid  84 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  10 and name HA   )(segid B and resid  27 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  10 and name HA   )(segid B and resid  28 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  10 and name HA   )(segid B and resid  29 and name HD1  ) 0.00 0.00  5.0
assign(segid B and resid  10 and name HA   )(segid B and resid  29 and name HD2  ) 0.00 0.00  5.0
assign(segid B and resid  10 and name HA   )(segid B and resid  82 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  10 and name HB+  )(segid B and resid  26 and name HB   ) 0.00 0.00  3.5
assign(segid B and resid  10 and name HN   )(segid B and resid  81 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  10 and name HN   )(segid B and resid  81 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  10 and name HN   )(segid B and resid  82 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  10 and name HN   )(segid B and resid  83 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  10 and name HN   )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  10 and name HN   )(segid B and resid  84 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  10 and name HN   )(segid B and resid  84 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  11 and name HA   )(segid B and resid  81 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  11 and name HB1  )(segid B and resid  27 and name HB1  ) 0.00 0.00  2.7
assign(segid B and resid  11 and name HB1  )(segid B and resid  81 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  11 and name HB2  )(segid B and resid  81 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  11 and name HE+  )(segid B and resid  79 and name HA+  ) 0.00 0.00  4.2
assign(segid B and resid  11 and name HN   )(segid B and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  11 and name HN   )(segid B and resid  27 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  11 and name HN   )(segid B and resid  27 and name HG+  ) 0.00 0.00  5.8

assign(segid B and resid  12 and name HD++ )(segid B and resid  24 and name HA   ) 0.00 0.00  6.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  24 and name HB1  ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  76 and name HA   ) 0.00 0.00  4.7
assign(segid B and resid  12 and name HD++ )(segid B and resid  76 and name HB1  ) 0.00 0.00  4.7
assign(segid B and resid  12 and name HD++ )(segid B and resid  76 and name HB2  ) 0.00 0.00  4.7
assign(segid B and resid  12 and name HD++ )(segid B and resid  77 and name HA   ) 0.00 0.00  6.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  77 and name HN   ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  78 and name HA   ) 0.00 0.00  4.7
assign(segid B and resid  12 and name HD++ )(segid B and resid  79 and name HN   ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  80 and name HB1  ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  80 and name HB2  ) 0.00 0.00  5.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  80 and name HN   ) 0.00 0.00  6.5
assign(segid B and resid  12 and name HD++ )(segid B and resid  81 and name HA   ) 0.00 0.00  6.5
assign(segid B and resid  12 and name HN   )(segid B and resid  80 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  12 and name HN   )(segid B and resid  81 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  13 and name HA   )(segid B and resid  79 and name HA+  ) 0.00 0.00  5.8
assign(segid B and resid  13 and name HG1+ )(segid B and resid  26 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  13 and name HG1+ )(segid B and resid  27 and name HA   ) 0.00 0.00  5.8
assign(segid B and resid  13 and name HG1+ )(segid B and resid  27 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  13 and name HN   )(segid B and resid  25 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  13 and name HN   )(segid B and resid  26 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  14 and name HB1  )(segid B and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  14 and name HB2  )(segid B and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  14 and name HN   )(segid B and resid  25 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  14 and name HN   )(segid B and resid  25 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  14 and name HN   )(segid B and resid  26 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  15 and name HA   )(segid B and resid  24 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  15 and name HD1+ )(segid B and resid  77 and name HA   ) 0.00 0.00  5.8
assign(segid B and resid  15 and name HD1+ )(segid B and resid  78 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  15 and name HG2+ )(segid B and resid  24 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  15 and name HN   )(segid B and resid  78 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  15 and name HN   )(segid B and resid  78 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  16 and name HA   )(segid B and resid  23 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  16 and name HA   )(segid B and resid  23 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  16 and name HB+  )(segid B and resid  25 and name HG2+ ) 0.00 0.00  5.6
assign(segid B and resid  16 and name HB1  )(segid B and resid  23 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  16 and name HB1  )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  16 and name HB2  )(segid B and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  16 and name HB2  )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  16 and name HN   )(segid B and resid  23 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  16 and name HN   )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  16 and name HN   )(segid B and resid  24 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  16 and name HN   )(segid B and resid  25 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  17 and name HN   )(segid B and resid  23 and name HB   ) 0.00 0.00  5.0

assign(segid B and resid  22 and name HD+  )(segid B and resid  15 and name HG2+  ) 0.00 0.00  6.6
assign(segid B and resid  22 and name HD+  )(segid B and resid  63 and name HD++  ) 0.00 0.00  6.3
assign(segid B and resid  22 and name HD+  )(segid B and resid  65 and name HN    ) 0.00 0.00  5.8
assign(segid B and resid  22 and name HD+  )(segid B and resid  68 and name HD1+  ) 0.00 0.00  4.8
assign(segid B and resid  22 and name HD+  )(segid B and resid  68 and name HD2+  ) 0.00 0.00  4.8
assign(segid B and resid  22 and name HE   )(segid B and resid  15 and name HD1+ ) 0.00 0.00  4.8
assign(segid B and resid  22 and name HE   )(segid B and resid  15 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  22 and name HE   )(segid B and resid  63 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  22 and name HE   )(segid B and resid  68 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  22 and name HN   )(segid B and resid  63 and name HB+  ) 0.00 0.00  4.8

assign(segid B and resid  23 and name HG2+ )(segid B and resid  60 and name HB+   ) 0.00 0.00  4.8
assign(segid B and resid  23 and name HN   )(segid B and resid  15 and name HG2+  ) 0.00 0.00  4.8
assign(segid B and resid  23 and name HN   )(segid B and resid  16 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  23 and name HN   )(segid B and resid  16 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  23 and name HN   )(segid B and resid  17 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  24 and name HA   )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  24 and name HB1  )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  24 and name HB2  )(segid B and resid  12 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  24 and name HD2  )(segid B and resid  15 and name HA    ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HD2  )(segid B and resid  15 and name HD1+  ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HD2  )(segid B and resid  15 and name HG2+  ) 0.00 0.00  3.5
assign(segid B and resid  24 and name HD2  )(segid B and resid  16 and name HN    ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HE1  )(segid B and resid  15 and name HG2+  ) 0.00 0.00  3.5
assign(segid B and resid  24 and name HN   )(segid B and resid  61 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  24 and name HN   )(segid B and resid  63 and name HD++ ) 0.00 0.00  4.7

assign(segid B and resid  25 and name HA   )(segid B and resid  60 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  25 and name HB   )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  25 and name HB   )(segid B and resid  13 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  25 and name HG1+ )(segid B and resid  59 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  25 and name HN   )(segid B and resid  12 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  25 and name HN   )(segid B and resid  14 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  25 and name HN   )(segid B and resid  15 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  26 and name HA   )(segid B and resid  12 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  26 and name HB   )(segid B and resid  10 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  26 and name HB   )(segid B and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  26 and name HG1+ )(segid B and resid  12 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  26 and name HN   )(segid B and resid  58 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  26 and name HN   )(segid B and resid  60 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  27 and name HA   )(segid B and resid  58 and name HD2  ) 0.00 0.00  3.2
assign(segid B and resid  27 and name HG1  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid B and resid  27 and name HG2  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid B and resid  27 and name HN   )(segid B and resid  11 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  27 and name HN   )(segid B and resid  11 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  27 and name HN   )(segid B and resid  12 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  28 and name HN   )(segid B and resid  57 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  28 and name HN   )(segid B and resid  57 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  28 and name HN   )(segid B and resid  57 and name HD21 ) 0.00 0.00  4.0
assign(segid B and resid  28 and name HN   )(segid B and resid  57 and name HD22 ) 0.00 0.00  3.2
assign(segid B and resid  28 and name HN   )(segid B and resid  59 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  28 and name HN   )(segid B and resid  59 and name HG2+ ) 0.00 0.00  4.8

assign(segid B and resid  29 and name HG1  )(segid B and resid   8 and name HA+  ) 0.00 0.00  5.8
assign(segid B and resid  29 and name HG2  )(segid B and resid   8 and name HA+  ) 0.00 0.00  5.8

assign(segid B and resid  33 and name HD++ )(segid B and resid  57 and name HB1  ) 0.00 0.00  5.5

assign(segid B and resid  37 and name HN   )(segid B and resid  54 and name HD1+ ) 0.00 0.00  4.8

assign(segid B and resid  38 and name HA   )(segid B and resid  51 and name HB   ) 0.00 0.00  2.7
assign(segid B and resid  38 and name HG2+ )(segid B and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HG2+ )(segid B and resid  53 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HG2+ )(segid B and resid  53 and name HN   ) 0.00 0.00  4.0 
assign(segid B and resid  38 and name HN   )(segid B and resid  54 and name HD1+ ) 0.00 0.00  4.0
assign(segid B and resid  38 and name HN   )(segid B and resid  54 and name HG1+ ) 0.00 0.00  4.8

assign(segid B and resid  39 and name HA1  )(segid B and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  39 and name HA2  )(segid B and resid  50 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  39 and name HN   )(segid B and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  39 and name HN   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  39 and name HN   )(segid B and resid  51 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  39 and name HN   )(segid B and resid  51 and name HN   ) 0.00 0.00  3.2

assign(segid B and resid  40 and name HB+  )(segid B and resid  51 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  40 and name HN   )(segid B and resid  50 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  40 and name HN   )(segid B and resid  51 and name HB   ) 0.00 0.00  3.2
assign(segid B and resid  40 and name HN   )(segid B and resid  51 and name HG1+ ) 0.00 0.00  4.8

assign(segid B and resid  41 and name HN   )(segid B and resid  87 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  41 and name HN   )(segid B and resid  87 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  41 and name HN   )(segid B and resid  88 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  41 and name HB1  )(segid B and resid  48 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  41 and name HB2  )(segid B and resid  48 and name HB2  ) 0.00 0.00  4.0

assign(segid B and resid  42 and name HN   )(segid B and resid  49 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  42 and name HN   )(segid B and resid  50 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  43 and name HN   )(segid B and resid  85 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  43 and name HN   )(segid B and resid  86 and name HA   ) 0.00 0.00  5.0

assign(segid B and resid  44 and name HE2  )(segid B and resid  84 and name HG1+ ) 0.00 0.00  4.8

assign(segid B and resid  45 and name HA   )(segid B and resid   6 and name HG2+ ) 0.00 0.00  5.8
assign(segid B and resid  45 and name HN   )(segid B and resid  82 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  45 and name HN   )(segid B and resid  83 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  45 and name HN   )(segid B and resid  84 and name HG1+ ) 0.00 0.00  5.8

assign(segid B and resid  47 and name HB1  )(segid B and resid  73 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  47 and name HB2  )(segid B and resid  73 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  49 and name HD1+ )(segid B and resid  26 and name HG1+ ) 0.00 0.00  6.6
assign(segid B and resid  49 and name HD1+ )(segid B and resid  61 and name HB1  ) 0.00 0.00  4.8
assign(segid B and resid  49 and name HD1+ )(segid B and resid  61 and name HB2  ) 0.00 0.00  4.8
assign(segid B and resid  49 and name HD++ )(segid B and resid  63 and name HG   ) 0.00 0.00  6.5
assign(segid B and resid  49 and name HD++ )(segid B and resid  63 and name HD1+ ) 0.00 0.00  6.3
assign(segid B and resid  49 and name HD++ )(segid B and resid  63 and name HD2+ ) 0.00 0.00  6.3
assign(segid B and resid  49 and name HD2+ )(segid B and resid  73 and name HD1+ ) 0.00 0.00  5.8
assign(segid B and resid  49 and name HD2+ )(segid B and resid  73 and name HD2+ ) 0.00 0.00  5.8
assign(segid B and resid  49 and name HN   )(segid B and resid  42 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  49 and name HN   )(segid B and resid  43 and name HA   ) 0.00 0.00  3.2

assign(segid B and resid  50 and name HA   )(segid B and resid  41 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  50 and name HG2+ )(segid B and resid  39 and name HA+  ) 0.00 0.00  6.6
assign(segid B and resid  50 and name HG2+ )(segid B and resid  39 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid  50 and name HG2+ )(segid B and resid  40 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid  50 and name HN   )(segid B and resid  42 and name HN   ) 0.00 0.00  5.0

assign(segid B and resid  51 and name HA   )(segid B and resid  61 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  51 and name HG1+ )(segid B and resid  37 and name HN   ) 0.00 0.00  5.8
assign(segid B and resid  51 and name HG1+ )(segid B and resid  38 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  51 and name HG1+ )(segid B and resid  40 and name HN   ) 0.00 0.00 4.8
assign(segid B and resid  51 and name HG2+ )(segid B and resid  40 and name HB+  ) 0.00 0.00  4.2
assign(segid B and resid  51 and name HG2+ )(segid B and resid  40 and name HN   ) 0.00 0.00 3.5
assign(segid B and resid  51 and name HN   )(segid B and resid  38 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  51 and name HN   )(segid B and resid  39 and name HA+  ) 0.00 0.00  5.8
assign(segid B and resid  51 and name HN   )(segid B and resid  40 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  51 and name HN   )(segid B and resid  40 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  51 and name HN   )(segid B and resid  41 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  52 and name HG2+ )(segid B and resid  61 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  52 and name HG2+ )(segid B and resid  62 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  52 and name HN   )(segid B and resid  60 and name HB+  ) 0.00 0.00  5.8
assign(segid B and resid  52 and name HN   )(segid B and resid  61 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  53 and name HB+  )(segid B and resid  60 and name HB+  ) 0.00 0.00  4.7
assign(segid B and resid  53 and name HN   )(segid B and resid  59 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  53 and name HN   )(segid B and resid  60 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  53 and name HN   )(segid B and resid  61 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  54 and name HD1+  )(segid B and resid  37 and name HA   ) 0.00 0.00  3.5 
assign(segid B and resid  54 and name HD1+  )(segid B and resid  37 and name HN   ) 0.00 0.00  4.8  
assign(segid B and resid  54 and name HD1+  )(segid B and resid  38 and name HA   ) 0.00 0.00  4.8  
assign(segid B and resid  54 and name HG1+ )(segid B and resid  38 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  54 and name HN   )(segid B and resid  38 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  54 and name HN   )(segid B and resid  38 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  55 and name HD21 )(segid B and resid  25 and name HG1+ ) 0.00 0.00  4.8 
assign(segid B and resid  55 and name HD21 )(segid B and resid  25 and name HG1+ ) 0.00 0.00  5.8
assign(segid B and resid  55 and name HD22 )(segid B and resid  25 and name HG2+ ) 0.00 0.00  4.8 
assign(segid B and resid  55 and name HD22 )(segid B and resid  25 and name HG2+ ) 0.00 0.00  4.8 

assign(segid B and resid  57 and name HB1  )(segid B and resid  27 and name HG+  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HB2  )(segid B and resid  27 and name HG+  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD21 )(segid B and resid  27 and name HB1  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD21 )(segid B and resid  27 and name HB2  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD21 )(segid B and resid  27 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  57 and name HD21 )(segid B and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  57 and name HD21 )(segid B and resid  33 and name HG   ) 0.00 0.00  5.0
assign(segid B and resid  57 and name HD22 )(segid B and resid  13 and name HG1+ ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD22 )(segid B and resid  27 and name HB1  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD22 )(segid B and resid  27 and name HB2  ) 0.00 0.00  5.8
assign(segid B and resid  57 and name HD22 )(segid B and resid  27 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  57 and name HD22 )(segid B and resid  33 and name HD++ ) 0.00 0.00  6.5
assign(segid B and resid  57 and name HD22 )(segid B and resid  33 and name HG   ) 0.00 0.00  5.0

assign(segid B and resid  58 and name HA   )(segid B and resid  28 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HB1  )(segid B and resid  25 and name HG1+ ) 0.00 0.00  3.5
assign(segid B and resid  58 and name HB1  )(segid B and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HB2  )(segid B and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HB2  )(segid B and resid  25 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  58 and name HD2  )(segid B and resid  13 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  58 and name HD2  )(segid B and resid  27 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  27 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  27 and name HG1  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  27 and name HG2  ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HD2  )(segid B and resid  27 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  58 and name HD2  )(segid B and resid  28 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HE1  )(segid B and resid  13 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  58 and name HE1  )(segid B and resid  13 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  58 and name HE1  )(segid B and resid  13 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  59 and name HB   )(segid B and resid  26 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  59 and name HG1+ )(segid B and resid  26 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  59 and name HG1+ )(segid B and resid  51 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  59 and name HN   )(segid B and resid  25 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  59 and name HN   )(segid B and resid  26 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  59 and name HN   )(segid B and resid  26 and name HG++ ) 0.00 0.00  4.7
assign(segid B and resid  59 and name HN   )(segid B and resid  26 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  59 and name HN   )(segid B and resid  27 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  60 and name HA   )(segid B and resid  25 and name HB   ) 0.00 0.00  4.0
assign(segid B and resid  60 and name HB1  )(segid B and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  60 and name HB2  )(segid B and resid  53 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  60 and name HN   )(segid B and resid  54 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  60 and name HN   )(segid B and resid  54 and name HG2+ ) 0.00 0.00  5.8

assign(segid B and resid  61 and name HN   )(segid B and resid  23 and name HG2+  ) 0.00 0.00  4.0
assign(segid B and resid  61 and name HN   )(segid B and resid  24 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  61 and name HN   )(segid B and resid  25 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  61 and name HN   )(segid B and resid  25 and name HG2+  ) 0.00 0.00  4.8
assign(segid B and resid  61 and name HN   )(segid B and resid  52 and name HG2+  ) 0.00 0.00  4.8

assign(segid B and resid  62 and name HA   )(segid B and resid  23 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  62 and name HA   )(segid B and resid  23 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  62 and name HA   )(segid B and resid  24 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  62 and name HN   )(segid B and resid  50 and name HB   ) 0.00 0.00  5.0
assign(segid B and resid  62 and name HN   )(segid B and resid  52 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  62 and name HN   )(segid B and resid  52 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  63 and name HN   )(segid B and resid  21 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  63 and name HN   )(segid B and resid  21 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  63 and name HN   )(segid B and resid  22 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  63 and name HN   )(segid B and resid  22 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  63 and name HN   )(segid B and resid  23 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  68 and name HA   )(segid B and resid  74 and name HN   ) 0.00 0.00  4.0
assign(segid B and resid  68 and name HG   )(segid B and resid  74 and name HA+  ) 0.00 0.00  3.5

assign(segid B and resid  73 and name HA   )(segid B and resid  63 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  73 and name HD++ )(segid B and resid  63 and name HD++ ) 0.00 0.00  6.2
assign(segid B and resid  73 and name HG   )(segid B and resid  47 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  73 and name HG   )(segid B and resid  47 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  73 and name HN   )(segid B and resid  63 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  74 and name HA1  )(segid B and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  74 and name HA1  )(segid B and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  74 and name HA2  )(segid B and resid  68 and name HD++ ) 0.00 0.00  4.2
assign(segid B and resid  74 and name HA2  )(segid B and resid  68 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  74 and name HN   )(segid B and resid  68 and name HD++ ) 0.00 0.00  5.5

assign(segid B and resid  76 and name HB1  )(segid B and resid  12 and name HD++ ) 0.00 0.00  4.7
assign(segid B and resid  76 and name HB2  )(segid B and resid  12 and name HD++ ) 0.00 0.00  4.7

assign(segid B and resid  77 and name HA   )(segid B and resid  15 and name HD1+ ) 0.00 0.00  4.0

assign(segid B and resid  78 and name HA   )(segid B and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  78 and name HA   )(segid B and resid  12 and name HB2  ) 0.00 0.00  3.2
assign(segid B and resid  78 and name HA   )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  78 and name HA   )(segid B and resid  12 and name HG   ) 0.00 0.00  3.2
assign(segid B and resid  78 and name HG1+ )(segid B and resid  12 and name HD++ ) 0.00 0.00  6.3
assign(segid B and resid  78 and name HG1+ )(segid B and resid  13 and name HA   ) 0.00 0.00  3.5
assign(segid B and resid  78 and name HG1+ )(segid B and resid  14 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  78 and name HG1+ )(segid B and resid  14 and name HB+  ) 0.00 0.00  5.6
assign(segid B and resid  78 and name HG1+ )(segid B and resid  14 and name HN   ) 0.00 0.00  5.8
assign(segid B and resid  78 and name HG2+ )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  78 and name HN   )(segid B and resid  12 and name HD++ ) 0.00 0.00  5.5
assign(segid B and resid  78 and name HN   )(segid B and resid  15 and name HD1+ ) 0.00 0.00  4.0

assign(segid B and resid  79 and name HA+  )(segid B and resid  11 and name HG+  ) 0.00 0.00  5.5
assign(segid B and resid  79 and name HN   )(segid B and resid  11 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  79 and name HN   )(segid B and resid  12 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  79 and name HN   )(segid B and resid  12 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  79 and name HN   )(segid B and resid  12 and name HG   ) 0.00 0.00  4.0
assign(segid B and resid  79 and name HN   )(segid B and resid  12 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  79 and name HN   )(segid B and resid  13 and name HA   ) 0.00 0.00  5.0

assign(segid B and resid  80 and name HN   )(segid B and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  80 and name HN   )(segid B and resid  12 and name HB1  ) 0.00 0.00  3.2
assign(segid B and resid  80 and name HN   )(segid B and resid  12 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  80 and name HN   )(segid B and resid  12 and name HD++ ) 0.00 0.00  4.7

assign(segid B and resid  81 and name HD1  )(segid B and resid  11 and name HD+   ) 0.00 0.00  4.8
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HB1  ) 0.00 0.00  5.0
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HB2  ) 0.00 0.00  5.0
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HD+  ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HE+  ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HE1  )(segid B and resid  11 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  81 and name HH2  )(segid B and resid  11 and name HD+   ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HZ2  )(segid B and resid  11 and name HB2   ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HZ2  )(segid B and resid  11 and name HD+   ) 0.00 0.00  4.0
assign(segid B and resid  81 and name HZ2  )(segid B and resid  11 and name HE+   ) 0.00 0.00  4.8

assign(segid B and resid  82 and name HG2+ )(segid B and resid  10 and name HB+  ) 0.00 0.00  4.3
assign(segid B and resid  82 and name HG2+ )(segid B and resid  44 and name HB1  ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG2+ )(segid B and resid  44 and name HB2  ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG2+ )(segid B and resid  44 and name HE2  ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG2+ )(segid B and resid  76 and name HD++ ) 0.00 0.00  5.0
assign(segid B and resid  82 and name HG1+ )(segid B and resid  10 and name HN   ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HG1+ )(segid B and resid  11 and name HA   ) 0.00 0.00  5.8
assign(segid B and resid  82 and name HG1+ )(segid B and resid  44 and name HB+  ) 0.00 0.00  5.6
assign(segid B and resid  82 and name HG1+ )(segid B and resid  44 and name HE2  ) 0.00 0.00  5.8
assign(segid B and resid  82 and name HN   )(segid B and resid  10 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  82 and name HN   )(segid B and resid  10 and name HN   ) 0.00 0.00  3.2
assign(segid B and resid  82 and name HN   )(segid B and resid  11 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  83 and name HA   )(segid B and resid   8 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  83 and name HA   )(segid B and resid   9 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  83 and name HA   )(segid B and resid   9 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HA   )(segid B and resid   9 and name HG2+ ) 0.00 0.00  3.5
assign(segid B and resid  83 and name HB1  )(segid B and resid   6 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB1  )(segid B and resid   6 and name HG2+ ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB1  )(segid B and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB1  )(segid B and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB1  )(segid B and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB2  )(segid B and resid   6 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  83 and name HB2  )(segid B and resid  44 and name HA   ) 0.00 0.00  5.0
assign(segid B and resid  83 and name HB2  )(segid B and resid  45 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HB2  )(segid B and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid B and resid  83 and name HD21 )(segid B and resid   6 and name HB   ) 0.00 0.00  4.0 
assign(segid B and resid  83 and name HN   )(segid B and resid  45 and name HB+  ) 0.00 0.00  4.8
assign(segid B and resid  83 and name HN   )(segid B and resid  45 and name HN   ) 0.00 0.00  4.0

assign(segid B and resid  84 and name HA   )(segid B and resid  44 and name HA   ) 0.00 0.00  2.7
assign(segid B and resid  84 and name HA   )(segid B and resid  45 and name HN   ) 0.00 0.00  5.0
assign(segid B and resid  84 and name HB   )(segid B and resid  32 and name HE+  ) 0.00 0.00  4.0
assign(segid B and resid  84 and name HB   )(segid B and resid  32 and name HG+  ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HB   )(segid B and resid  42 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HB   )(segid B and resid  42 and name HG1+ ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HG1+ )(segid B and resid   9 and name HA   ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HG1+ )(segid B and resid  10 and name HB+  ) 0.00 0.00  4.3
assign(segid B and resid  84 and name HG1+ )(segid B and resid  42 and name HG1+ ) 0.00 0.00  5.6
assign(segid B and resid  84 and name HG1+ )(segid B and resid  44 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  84 and name HG2+ )(segid B and resid   8 and name HA+  ) 0.00 0.00  5.6
assign(segid B and resid  84 and name HG2+ )(segid B and resid   9 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  84 and name HG2+ )(segid B and resid  10 and name HA   ) 0.00 0.00  5.8
assign(segid B and resid  84 and name HG2+ )(segid B and resid  29 and name HD1  ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HG2+ )(segid B and resid  29 and name HD2  ) 0.00 0.00  4.8
assign(segid B and resid  84 and name HG2+ )(segid B and resid  32 and name HE+  ) 0.00 0.00  4.3
assign(segid B and resid  84 and name HG2+ )(segid B and resid  32 and name HG+  ) 0.00 0.00  5.6
assign(segid B and resid  84 and name HN   )(segid B and resid   6 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  84 and name HN   )(segid B and resid   9 and name HA   ) 0.00 0.00  3.2
assign(segid B and resid  84 and name HN   )(segid B and resid   9 and name HG2+ ) 0.00 0.00  4.0

assign(segid B and resid  85 and name HN   )(segid B and resid  42 and name HA   ) 0.00 0.00  4.0
assign(segid B and resid  85 and name HN   )(segid B and resid  42 and name HG1+ ) 0.00 0.00  4.0
assign(segid B and resid  85 and name HN   )(segid B and resid  42 and name HG2+ ) 0.00 0.00  4.8
assign(segid B and resid  85 and name HN   )(segid B and resid  43 and name HB+  ) 0.00 0.00  4.0
assign(segid B and resid  85 and name HN   )(segid B and resid  44 and name HA   ) 0.00 0.00  4.0

assign(segid B and resid  86 and name HN   )(segid B and resid  32 and name HE+  ) 0.00 0.00  4.0

assign(segid B and resid  87 and name HB+  )(segid B and resid  41 and name HB1  ) 0.00 0.00  4.0
assign(segid B and resid  87 and name HB+  )(segid B and resid  41 and name HB2  ) 0.00 0.00  4.0
assign(segid B and resid  87 and name HN   )(segid B and resid  42 and name HA   ) 0.00 0.00  5.0
!===================================================================================
!
!    INTERDOMAIN CONTACTS 
! to be used with symmetry related restraints i.e. dimer_symmetry.tbl
!
!===================================================================================


assign(segid A and resid  72 and name HD21 )(segid B and resid  82 and name HA   ) 0.00 0.00 2.7
assign(segid A and resid  72 and name HD22 )(segid B and resid  82 and name HA   ) 0.00 0.00 3.2

assign(segid A and resid  72 and name HB1  )(segid B and resid  82 and name HA   ) 0.00 0.00 4.0
assign(segid A and resid  72 and name HB2  )(segid B and resid  82 and name HA   ) 0.00 0.00 4.0

assign(segid A and resid  72 and name HD21 )(segid B and resid  83 and name HN   ) 0.00 0.00 4.0
assign(segid A and resid  72 and name HD22 )(segid B and resid  83 and name HN   ) 0.00 0.00 3.2

assign(segid A and resid  72 and name HD21 )(segid B and resid  83 and name HB1  ) 0.00 0.00 4.0

assign(segid A and resid  72 and name HD21 )(segid B and resid  82 and name HG2+ ) 0.00 0.00  4.8
assign(segid A and resid  72 and name HD22 )(segid B and resid  82 and name HG2+ ) 0.00 0.00  4.0
assign(segid A and resid  72 and name HD21 )(segid B and resid  82 and name HB   ) 0.00 0.00  4.0
assign(segid A and resid  72 and name HD22 )(segid B and resid  82 and name HB   ) 0.00 0.00  5.0

assign(segid A and resid  83 and name HN   )(segid B and resid  72 and name  HB1 ) 0.00 0.00  4.0
assign(segid A and resid  83 and name HN   )(segid B and resid  72 and name  HB2 ) 0.00 0.00  4.0

assign(segid A and resid  83 and name HN   )(segid B and resid  72 and name  HB2 ) 0.00 0.00  4.0

assign(segid A and resid   4 and name HA+  )(segid B and resid  48 and name HN   ) 0.00 0.00 4.8

assign(segid A and resid   41 and name HB1 )(segid B and resid  2  and name HZ   ) 0.00 0.00 2.7
assign(segid A and resid   41 and name HB2 )(segid B and resid  2  and name HZ   ) 0.00 0.00 2.7

assign(segid A and resid   9 and name HG2+ )(segid B and resid  71 and name HA   ) 0.00 0.00  4.0
assign(segid A and resid   9 and name HG2+ )(segid B and resid  72 and name HB1  ) 0.00 0.00  4.8
assign(segid A and resid   9 and name HG2+ )(segid B and resid  72 and name HB2  ) 0.00 0.00  4.8

assign(segid A and resid  71 and name HB   )(segid B and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid A and resid  72 and name HN   )(segid B and resid  45 and name HD22 ) 0.00 0.00  4.0
assign(segid A and resid  73 and name HD++ )(segid B and resid  45 and name HD21 ) 0.00 0.00  5.8
assign(segid A and resid  73 and name HD++ )(segid B and resid  45 and name HD22 ) 0.00 0.00  4.8
assign(segid A and resid  73 and name HG   )(segid B and resid  45 and name HD22 ) 0.00 0.00  5.0

assign(segid A and resid  45 and name HA   )(segid B and resid  72 and name HD21 ) 0.00 0.00  4.0
assign(segid A and resid  45 and name HN   )(segid B and resid  72 and name HD21 ) 0.00 0.00  4.0
assign(segid A and resid  45 and name HB1  )(segid B and resid  72 and name HD21 ) 0.00 0.00  4.0
assign(segid A and resid  45 and name HB2  )(segid B and resid  72 and name HD21 ) 0.00 0.00  3.2




!===============================================================================
!
!    RIBOFLAVIN CONTACTS
!
!===============================================================================


assign(segid A and resid  71 and name HG2+  )(segid RIBA and resid  98 and name H14  ) 4.00 0.80  0.8
assign(segid A and resid  67 and name HG2+  )(segid RIBA and resid  98 and name H14  ) 4.00 0.80  0.8
assign(segid A and resid  70 and name HG2+  )(segid RIBA and resid  98 and name H14  ) 4.80 1.60  0.8
assign(segid A and resid  70 and name HD1+  )(segid RIBA and resid  98 and name H14  ) 4.80 1.60  0.8

assign(segid A and resid  71 and name HG2+  )(segid RIBA and resid  98 and name H151 ) 4.80 1.60  0.8
assign(segid A and resid  71 and name HG2+  )(segid RIBA and resid  98 and name H152 ) 4.80 1.60  0.8
assign(segid A and resid  70 and name HD1+  )(segid RIBA and resid  98 and name H151 ) 4.80 1.60  0.8
assign(segid A and resid  70 and name HD1+  )(segid RIBA and resid  98 and name H152 ) 4.80 1.60  0.8
assign(segid A and resid  70 and name HG2+  )(segid RIBA and resid  98 and name H151 ) 4.80 1.60  0.8
assign(segid A and resid  70 and name HG2+  )(segid RIBA and resid  98 and name H152 ) 4.80 1.60  0.8


assign(segid B and resid   5 and name HG2+  )(segid RIBA and resid  98 and name H12  ) 0.00 0.00  4.0
assign(segid B and resid   5 and name HD1+  )(segid RIBA and resid  98 and name H12  ) 4.00 0.80  0.8
assign(segid B and resid   5 and name HG1+  )(segid RIBA and resid  98 and name H12  ) 4.00 0.80  0.8

assign(segid B and resid   5 and name HD1+  )(segid RIBA and resid  98 and name H9   ) 0.00 0.00  3.6
assign(segid B and resid   5 and name HG1+  )(segid RIBA and resid  98 and name H9   ) 4.00 0.80  0.8
assign(segid B and resid   5 and name HG2+  )(segid RIBA and resid  98 and name H9   ) 4.80 0.80  0.8

assign(segid A and resid  67 and name HG2+  )(segid RIBA and resid  98 and name H4   ) 4.80 0.00  15.0



assign(segid B and resid   5 and name HD1+  )(segid RIBA and resid  98 and name H8+  ) 0.00 0.00  3.0
assign(segid B and resid   5 and name HG2+  )(segid RIBA and resid  98 and name H8+  ) 4.80 1.60  0.8
assign(segid B and resid   5 and name HG1+  )(segid RIBA and resid  98 and name H8+  ) 4.00 0.80  0.8
assign(segid A and resid  70 and name HG2+  )(segid RIBA and resid  98 and name H8+  ) 4.00 0.00  15.0


assign(segid A and resid  71 and name HG2+  )(segid RIBA and resid  98 and name H8+  ) 4.00 0.00  9.9

assign(segid B and resid   5 and name HD1+  )(segid RIBA and resid  98 and name H6+  ) 4.80 0.80  0.8
assign(segid B and resid   5 and name HG2+  )(segid RIBA and resid  98 and name H6+  ) 4.00 0.00  15.0
assign(segid A and resid   5 and name HG1+  )(segid RIBA and resid  98 and name H6+  ) 4.00 0.00  15.0

assign(segid A and resid  41 and name HB1   )(segid RIBA and resid  98 and name H6+  ) 4.80 1.60  0.8
assign(segid A and resid  41 and name HB2   )(segid RIBA and resid  98 and name H6+  ) 4.80 1.60  0.8




assign(segid A and resid  63 and name HA     )(segid RIBA and resid  98 and name HN    ) 0.00 0.00 2.7
assign(segid A and resid  63 and name HG     )(segid RIBA and resid  98 and name HN    ) 3.20 0.50 0.0
assign(segid A and resid  49 and name HB1    )(segid RIBA and resid  98 and name HN    ) 4.00 0.80 0.0
assign(segid A and resid  49 and name HD1+   )(segid RIBA and resid  98 and name HN    ) 4.80 0.80 0.0

!!
!! Interdomain contacts to aromatics:  designed for sum averaging
!!


assign( (segid A and resid   2 and name HD1 ) or (segid A and resid   2 and name HD2 ))
(segid B and resid  87 and name HA   ) 0.00 0.00 4.0

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  87 and name HA   ) 0.00 0.00 4.0

assign( (segid A and resid   2 and name HD1 ) or (segid A and resid   2 and name HD2 ))
(segid B and resid  87 and name HB+  ) 0.00 0.00 4.0

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  87 and name HB+  ) 0.00 0.00 3.5

assign( (segid A and resid   2 and name HD1 ) or (segid A and resid   2 and name HD2 ))
(segid B and resid  88 and name HN   ) 0.00 0.00 3.2

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  88 and name HN   ) 0.00 0.00 4.0

assign( (segid A and resid   2 and name HD1 ) or (segid A and resid   2 and name HD2 ))
(segid B and resid  88 and name HB+  ) 0.00 0.00 4.8

assign( (segid A and resid   2 and name HD1 ) or (segid A and resid   2 and name HD2 ))
(segid B and resid  43 and name HB+  ) 0.00 0.00 5.8

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  43 and name HB+  ) 0.00 0.00 5.8

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  48 and name HB1  ) 0.00 0.00 3.2

assign( (segid A and resid   2 and name HE1 ) or (segid A and resid   2 and name HE2 ))
(segid B and resid  48 and name HB2  ) 0.00 0.00 3.2

  Entry H atom name         Submitted Coord H atom name
    1   1H    MET   1          1HT       MET   1  -5.161   1.629  12.498
    2   2H    MET   1          2HT       MET   1  -4.454   2.301  13.890
    3   3H    MET   1          3HT       MET   1  -3.733   0.964  13.128
    4    HA   MET   1           HA       MET   1  -3.584   3.788  12.444
    5   1HB   MET   1          2HB       MET   1  -1.926   1.264  12.187
    6   2HB   MET   1          1HB       MET   1  -1.373   2.837  11.611
    7   1HG   MET   1          2HG       MET   1  -1.628   3.766  13.880
    8   2HG   MET   1          1HG       MET   1  -2.188   2.198  14.463
    9   1HE   MET   1          1HE       MET   1   0.573   1.966  16.335
   10   2HE   MET   1          2HE       MET   1  -0.557   3.272  15.989
   11   3HE   MET   1          3HE       MET   1   1.165   3.508  15.702
   12    H    PHE   2           HN       PHE   2  -3.762   4.578  10.354
   13    HA   PHE   2           HA       PHE   2  -3.506   2.938   8.025
   14   1HB   PHE   2          2HB       PHE   2  -5.787   2.884   7.280
   15   2HB   PHE   2          1HB       PHE   2  -5.798   2.292   8.936
   16    HD1  PHE   2           HD1      PHE   2  -6.179   5.466   6.963
   17    HD2  PHE   2           HD2      PHE   2  -7.291   3.261  10.493
   18    HE1  PHE   2           HE1      PHE   2  -7.791   7.248   7.576
   19    HE2  PHE   2           HE2      PHE   2  -8.877   5.056  11.103
   20    HZ   PHE   2           HZ       PHE   2  -9.134   7.044   9.651
   21    H    THR   3           HN       THR   3  -3.064   4.306   6.294
   22    HA   THR   3           HA       THR   3  -3.683   7.210   6.669
   23    HB   THR   3           HB       THR   3  -1.347   7.594   5.857
   24    HG1  THR   3           HG1      THR   3  -0.741   5.851   4.785
   25   1HG2  THR   3          1HG2      THR   3  -0.270   6.364   7.938
   26   2HG2  THR   3          2HG2      THR   3  -1.957   6.043   8.349
   27   3HG2  THR   3          3HG2      THR   3  -1.389   7.705   8.166
   28    H    GLY   4           HN       GLY   4  -2.814   4.570   4.471
   29   1HA   GLY   4          2HA       GLY   4  -3.130   4.327   2.163
   30   2HA   GLY   4          1HA       GLY   4  -4.588   5.291   2.402
   31    H    ILE   5           HN       ILE   5  -1.616   6.748   3.398
   32    HA   ILE   5           HA       ILE   5  -2.038   8.905   1.473
   33    HB   ILE   5           HB       ILE   5   0.190   8.331   3.460
   34   1HG1  ILE   5          2HG1      ILE   5  -2.279  10.067   3.765
   35   2HG1  ILE   5          1HG1      ILE   5  -2.159   8.421   4.388
   36   1HG2  ILE   5          1HG2      ILE   5   0.818  10.045   1.817
   37   2HG2  ILE   5          2HG2      ILE   5   0.510  10.794   3.384
   38   3HG2  ILE   5          3HG2      ILE   5  -0.700  10.897   2.105
   39   1HD1  ILE   5          1HD1      ILE   5  -0.814  10.908   5.331
   40   2HD1  ILE   5          2HD1      ILE   5   0.115   9.411   5.420
   41   3HD1  ILE   5          3HD1      ILE   5  -1.430   9.542   6.261
   42    H    VAL   6           HN       VAL   6  -1.108   9.063  -0.527
   43    HA   VAL   6           HA       VAL   6   0.631   6.856  -1.392
   44    HB   VAL   6           HB       VAL   6  -1.149   8.935  -2.595
   45   1HG1  VAL   6          1HG1      VAL   6  -0.301   8.196  -4.889
   46   2HG1  VAL   6          2HG1      VAL   6   1.128   7.579  -4.061
   47   3HG1  VAL   6          3HG1      VAL   6   0.753   9.301  -4.008
   48   1HG2  VAL   6          1HG2      VAL   6  -0.987   6.286  -3.801
   49   2HG2  VAL   6          2HG2      VAL   6  -2.375   7.102  -3.080
   50   3HG2  VAL   6          3HG2      VAL   6  -1.252   6.203  -2.060
   51    H    GLN   7           HN       GLN   7   2.745   7.038  -1.980
   52    HA   GLN   7           HA       GLN   7   4.273   9.398  -1.289
   53   1HB   GLN   7          2HB       GLN   7   4.854   6.793  -2.714
   54   2HB   GLN   7          1HB       GLN   7   6.104   7.985  -2.351
   55   1HG   GLN   7          2HG       GLN   7   5.679   7.813   0.021
   56   2HG   GLN   7          1HG       GLN   7   4.263   6.799  -0.258
   57   1HE2  GLN   7          1HE2      GLN   7   6.509   5.935   1.347
   58   2HE2  GLN   7          2HE2      GLN   7   7.241   4.628   0.551
   59    H    GLY   8           HN       GLY   8   2.933   8.117  -4.360
   60   1HA   GLY   8          2HA       GLY   8   3.815  10.625  -5.690
   61   2HA   GLY   8          1HA       GLY   8   4.528   9.123  -6.274
   62    H    THR   9           HN       THR   9   3.232  10.331  -8.194
   63    HA   THR   9           HA       THR   9   0.561   8.975  -8.332
   64    HB   THR   9           HB       THR   9  -0.061  11.000  -9.749
   65    HG1  THR   9           HG1      THR   9   1.316  12.637  -9.851
   66   1HG2  THR   9          1HG2      THR   9   0.700  11.306  -6.837
   67   2HG2  THR   9          2HG2      THR   9  -0.881  10.885  -7.497
   68   3HG2  THR   9          3HG2      THR   9  -0.237  12.512  -7.719
   69    H    ALA  10           HN       ALA  10  -0.140   8.733 -10.680
   70    HA   ALA  10           HA       ALA  10   2.166   8.212 -12.526
   71   1HB   ALA  10          1HB       ALA  10   0.253   6.169 -12.851
   72   2HB   ALA  10          2HB       ALA  10   0.422   6.366 -11.104
   73   3HB   ALA  10          3HB       ALA  10   1.839   6.013 -12.097
   74    H    LYS  11           HN       LYS  11   1.593   8.391 -14.742
   75    HA   LYS  11           HA       LYS  11  -1.057   9.701 -15.224
   76   1HB   LYS  11          2HB       LYS  11   1.008  10.912 -15.841
   77   2HB   LYS  11          1HB       LYS  11   1.481   9.564 -16.870
   78   1HG   LYS  11          2HG       LYS  11  -0.467   9.872 -18.283
   79   2HG   LYS  11          1HG       LYS  11  -1.091  11.123 -17.208
   80   1HD   LYS  11          2HD       LYS  11   0.290  12.712 -18.053
   81   2HD   LYS  11          1HD       LYS  11   1.658  11.601 -18.162
   82   1HE   LYS  11          2HE       LYS  11   0.566  10.549 -20.177
   83   2HE   LYS  11          1HE       LYS  11  -0.657  11.834 -20.116
   84   1HZ   LYS  11          1HZ       LYS  11   2.251  12.401 -20.101
   85   2HZ   LYS  11          2HZ       LYS  11   0.974  13.486 -20.384
   86   3HZ   LYS  11          3HZ       LYS  11   1.359  12.303 -21.540
   87    H    LEU  12           HN       LEU  12  -2.572   8.264 -15.973
   88    HA   LEU  12           HA       LEU  12  -2.044   5.758 -17.288
   89   1HB   LEU  12          2HB       LEU  12  -4.196   6.796 -16.195
   90   2HB   LEU  12          1HB       LEU  12  -4.427   7.534 -17.764
   91    HG   LEU  12           HG       LEU  12  -4.498   5.376 -18.848
   92   1HD1  LEU  12          1HD1      LEU  12  -3.183   3.770 -17.944
   93   2HD1  LEU  12          2HD1      LEU  12  -4.500   3.481 -16.808
   94   3HD1  LEU  12          3HD1      LEU  12  -3.179   4.562 -16.368
   95   1HD2  LEU  12          1HD2      LEU  12  -6.169   4.481 -16.664
   96   2HD2  LEU  12          2HD2      LEU  12  -6.655   5.137 -18.227
   97   3HD2  LEU  12          3HD2      LEU  12  -6.342   6.224 -16.873
   98    H    VAL  13           HN       VAL  13  -1.307   5.488 -19.329
   99    HA   VAL  13           HA       VAL  13  -1.549   7.784 -21.234
  100    HB   VAL  13           HB       VAL  13   0.676   7.781 -20.451
  101   1HG1  VAL  13          1HG1      VAL  13   0.229   4.929 -20.110
  102   2HG1  VAL  13          2HG1      VAL  13   1.389   5.986 -19.303
  103   3HG1  VAL  13          3HG1      VAL  13   1.784   5.265 -20.865
  104   1HG2  VAL  13          1HG2      VAL  13   0.274   7.554 -23.017
  105   2HG2  VAL  13          2HG2      VAL  13   0.980   5.951 -22.815
  106   3HG2  VAL  13          3HG2      VAL  13   1.919   7.386 -22.402
  107    H    SER  14           HN       SER  14  -1.406   4.300 -20.758
  108    HA   SER  14           HA       SER  14  -2.688   3.979 -23.449
  109   1HB   SER  14          2HB       SER  14   0.002   3.648 -23.030
  110   2HB   SER  14          1HB       SER  14  -0.596   2.009 -22.795
  111    HG   SER  14           HG       SER  14  -0.280   3.387 -25.071
  112    H    ILE  15           HN       ILE  15  -4.158   2.273 -23.511
  113    HA   ILE  15           HA       ILE  15  -4.350   0.563 -21.049
  114    HB   ILE  15           HB       ILE  15  -6.474   1.025 -23.155
  115   1HG1  ILE  15          2HG1      ILE  15  -5.878   2.567 -20.618
  116   2HG1  ILE  15          1HG1      ILE  15  -5.887   3.182 -22.270
  117   1HG2  ILE  15          1HG2      ILE  15  -7.125  -0.810 -21.873
  118   2HG2  ILE  15          2HG2      ILE  15  -7.836   0.511 -20.941
  119   3HG2  ILE  15          3HG2      ILE  15  -6.315  -0.215 -20.425
  120   1HD1  ILE  15          1HD1      ILE  15  -8.154   2.664 -20.447
  121   2HD1  ILE  15          2HD1      ILE  15  -8.394   2.103 -22.102
  122   3HD1  ILE  15          3HD1      ILE  15  -8.031   3.800 -21.790
  123    H    ASP  16           HN       ASP  16  -4.065  -1.591 -21.314
  124    HA   ASP  16           HA       ASP  16  -3.906  -2.687 -24.087
  125   1HB   ASP  16          2HB       ASP  16  -2.554  -3.321 -21.478
  126   2HB   ASP  16          1HB       ASP  16  -2.640  -4.540 -22.750
  127    H    GLU  17           HN       GLU  17  -5.805  -3.721 -24.575
  128    HA   GLU  17           HA       GLU  17  -7.400  -4.872 -22.335
  129   1HB   GLU  17          2HB       GLU  17  -8.401  -3.180 -23.824
  130   2HB   GLU  17          1HB       GLU  17  -8.058  -4.200 -25.222
  131   1HG   GLU  17          2HG       GLU  17  -9.507  -5.968 -24.290
  132   2HG   GLU  17          1HG       GLU  17  -9.854  -4.946 -22.894
  133    H    LYS  18           HN       LYS  18  -7.040  -7.043 -22.020
  134    HA   LYS  18           HA       LYS  18  -6.770  -8.784 -24.451
  135   1HB   LYS  18          2HB       LYS  18  -6.023  -9.606 -21.648
  136   2HB   LYS  18          1HB       LYS  18  -5.364 -10.179 -23.178
  137   1HG   LYS  18          2HG       LYS  18  -4.754  -7.475 -23.218
  138   2HG   LYS  18          1HG       LYS  18  -4.527  -7.909 -21.522
  139   1HD   LYS  18          2HD       LYS  18  -3.324  -9.433 -23.853
  140   2HD   LYS  18          1HD       LYS  18  -2.459  -8.229 -22.897
  141   1HE   LYS  18          2HE       LYS  18  -3.378  -9.771 -20.883
  142   2HE   LYS  18          1HE       LYS  18  -3.262 -11.000 -22.158
  143   1HZ   LYS  18          1HZ       LYS  18  -1.029 -10.613 -22.463
  144   2HZ   LYS  18          2HZ       LYS  18  -1.160 -10.391 -20.784
  145   3HZ   LYS  18          3HZ       LYS  18  -1.089  -9.046 -21.819
  146    HA   PRO  19           HA       PRO  19 -10.915  -9.994 -23.388
  147   1HB   PRO  19          2HB       PRO  19 -10.664 -12.519 -24.638
  148   2HB   PRO  19          1HB       PRO  19 -11.286 -11.035 -25.384
  149   1HG   PRO  19          2HG       PRO  19  -8.592 -12.256 -25.565
  150   2HG   PRO  19          1HG       PRO  19  -9.491 -11.311 -26.762
  151   1HD   PRO  19          2HD       PRO  19  -7.419 -10.271 -25.403
  152   2HD   PRO  19          1HD       PRO  19  -8.832  -9.287 -25.856
  153    H    ASN  20           HN       ASN  20  -7.989 -11.754 -22.698
  154    HA   ASN  20           HA       ASN  20  -9.230 -13.624 -20.792
  155   1HB   ASN  20          2HB       ASN  20  -6.324 -12.812 -21.035
  156   2HB   ASN  20          1HB       ASN  20  -6.976 -14.357 -20.490
  157   1HD2  ASN  20          1HD2      ASN  20  -5.763 -12.693 -23.218
  158   2HD2  ASN  20          2HD2      ASN  20  -6.260 -13.795 -24.407
  159    H    PHE  21           HN       PHE  21  -7.338 -10.608 -20.680
  160    HA   PHE  21           HA       PHE  21  -8.457  -9.960 -18.025
  161   1HB   PHE  21          2HB       PHE  21  -5.487 -10.376 -18.511
  162   2HB   PHE  21          1HB       PHE  21  -6.221  -9.860 -16.994
  163    HD1  PHE  21           HD1      PHE  21  -7.725 -11.408 -15.732
  164    HD2  PHE  21           HD2      PHE  21  -5.526 -12.681 -19.200
  165    HE1  PHE  21           HE1      PHE  21  -8.118 -13.778 -15.111
  166    HE2  PHE  21           HE2      PHE  21  -5.918 -15.052 -18.579
  167    HZ   PHE  21           HZ       PHE  21  -7.215 -15.600 -16.534
  168    H    ARG  22           HN       ARG  22  -8.197  -7.695 -17.548
  169    HA   ARG  22           HA       ARG  22  -7.498  -6.054 -19.908
  170   1HB   ARG  22          2HB       ARG  22  -9.605  -5.733 -18.614
  171   2HB   ARG  22          1HB       ARG  22  -8.637  -5.296 -17.207
  172   1HG   ARG  22          2HG       ARG  22  -7.660  -3.410 -18.432
  173   2HG   ARG  22          1HG       ARG  22  -8.578  -3.854 -19.871
  174   1HD   ARG  22          2HD       ARG  22 -10.694  -3.476 -18.650
  175   2HD   ARG  22          1HD       ARG  22  -9.774  -3.018 -17.203
  176    HE   ARG  22           HE       ARG  22  -8.674  -1.385 -19.094
  177   1HH1  ARG  22          1HH1      ARG  22 -11.934  -2.155 -18.231
  178   2HH1  ARG  22          2HH1      ARG  22 -12.561  -0.623 -18.733
  179   1HH2  ARG  22          1HH2      ARG  22  -9.488   0.614 -19.748
  180   2HH2  ARG  22          2HH2      ARG  22 -11.181   0.942 -19.589
  181    H    THR  23           HN       THR  23  -5.850  -4.547 -19.904
  182    HA   THR  23           HA       THR  23  -3.950  -4.593 -17.588
  183    HB   THR  23           HB       THR  23  -3.435  -4.666 -20.584
  184    HG1  THR  23           HG1      THR  23  -3.558  -6.722 -20.267
  185   1HG2  THR  23          1HG2      THR  23  -1.798  -3.693 -18.506
  186   2HG2  THR  23          2HG2      THR  23  -1.305  -4.078 -20.155
  187   3HG2  THR  23          3HG2      THR  23  -1.175  -5.298 -18.888
  188    H    HIS  24           HN       HIS  24  -3.177  -2.538 -17.012
  189    HA   HIS  24           HA       HIS  24  -3.806  -0.299 -18.901
  190   1HB   HIS  24          2HB       HIS  24  -4.674  -0.855 -16.179
  191   2HB   HIS  24          1HB       HIS  24  -3.918   0.734 -16.324
  192    HD1  HIS  24           HD1      HIS  24  -7.152  -0.470 -16.394
  193    HD2  HIS  24           HD2      HIS  24  -4.987   1.711 -19.209
  194    HE1  HIS  24           HE1      HIS  24  -8.851   0.599 -17.942
  195    H    VAL  25           HN       VAL  25  -2.176   1.217 -19.153
  196    HA   VAL  25           HA       VAL  25   0.328   0.743 -17.583
  197    HB   VAL  25           HB       VAL  25   0.041   1.827 -20.381
  198   1HG1  VAL  25          1HG1      VAL  25   2.183   2.127 -19.003
  199   2HG1  VAL  25          2HG1      VAL  25   2.365   1.377 -20.588
  200   3HG1  VAL  25          3HG1      VAL  25   2.377   0.379 -19.134
  201   1HG2  VAL  25          1HG2      VAL  25   0.855  -0.640 -20.887
  202   2HG2  VAL  25          2HG2      VAL  25  -0.863  -0.296 -20.693
  203   3HG2  VAL  25          3HG2      VAL  25   0.054  -0.990 -19.356
  204    H    VAL  26           HN       VAL  26   1.194   2.453 -16.575
  205    HA   VAL  26           HA       VAL  26   0.003   5.156 -17.069
  206    HB   VAL  26           HB       VAL  26   0.312   5.485 -14.673
  207   1HG1  VAL  26          1HG1      VAL  26  -1.612   4.364 -14.340
  208   2HG1  VAL  26          2HG1      VAL  26  -0.721   2.844 -14.253
  209   3HG1  VAL  26          3HG1      VAL  26  -1.311   3.433 -15.807
  210   1HG2  VAL  26          1HG2      VAL  26   2.393   4.412 -14.241
  211   2HG2  VAL  26          2HG2      VAL  26   1.817   2.869 -14.871
  212   3HG2  VAL  26          3HG2      VAL  26   1.202   3.478 -13.336
  213    H    GLU  27           HN       GLU  27   1.583   6.944 -16.349
  214    HA   GLU  27           HA       GLU  27   4.314   6.344 -17.370
  215   1HB   GLU  27          2HB       GLU  27   2.463   8.178 -18.088
  216   2HB   GLU  27          1HB       GLU  27   3.275   9.065 -16.804
  217   1HG   GLU  27          2HG       GLU  27   5.367   8.987 -17.916
  218   2HG   GLU  27          1HG       GLU  27   4.816   7.737 -19.029
  219    H    LEU  28           HN       LEU  28   5.780   6.025 -15.748
  220    HA   LEU  28           HA       LEU  28   5.152   6.771 -13.009
  221   1HB   LEU  28          2HB       LEU  28   6.392   4.724 -14.168
  222   2HB   LEU  28          1HB       LEU  28   7.809   5.742 -13.923
  223    HG   LEU  28           HG       LEU  28   7.339   5.884 -11.528
  224   1HD1  LEU  28          1HD1      LEU  28   5.335   3.943 -11.135
  225   2HD1  LEU  28          2HD1      LEU  28   4.729   4.990 -12.418
  226   3HD1  LEU  28          3HD1      LEU  28   5.193   5.680 -10.863
  227   1HD2  LEU  28          1HD2      LEU  28   7.701   3.538 -10.925
  228   2HD2  LEU  28          2HD2      LEU  28   8.604   3.912 -12.392
  229   3HD2  LEU  28          3HD2      LEU  28   7.090   3.017 -12.494
  230    HA   PRO  29           HA       PRO  29   7.158  10.731 -13.239
  231   1HB   PRO  29          2HB       PRO  29   7.221  11.192 -10.535
  232   2HB   PRO  29          1HB       PRO  29   5.794  11.458 -11.550
  233   1HG   PRO  29          2HG       PRO  29   6.431   9.193  -9.740
  234   2HG   PRO  29          1HG       PRO  29   4.874   9.959 -10.089
  235   1HD   PRO  29          2HD       PRO  29   5.637   7.570 -11.144
  236   2HD   PRO  29          1HD       PRO  29   4.518   8.686 -11.956
  237    H    ASP  30           HN       ASP  30   9.101  11.779 -12.009
  238    HA   ASP  30           HA       ASP  30  11.393  10.222 -12.512
  239   1HB   ASP  30          2HB       ASP  30  11.281  12.680 -12.446
  240   2HB   ASP  30          1HB       ASP  30  11.009  12.627 -10.703
  241    H    HIS  31           HN       HIS  31   9.757  10.830  -9.385
  242    HA   HIS  31           HA       HIS  31  11.862   9.341  -7.974
  243   1HB   HIS  31          2HB       HIS  31  10.671  10.100  -5.988
  244   2HB   HIS  31          1HB       HIS  31  10.813  11.436  -7.123
  245    HD1  HIS  31           HD1      HIS  31   8.349   9.750  -8.804
  246    HD2  HIS  31           HD2      HIS  31   8.320  11.643  -5.093
  247    HE1  HIS  31           HE1      HIS  31   5.926  10.283  -8.287
  248    H    MET  32           HN       MET  32   9.231   8.357  -9.704
  249    HA   MET  32           HA       MET  32   8.911   5.913  -7.989
  250   1HB   MET  32          2HB       MET  32   7.133   7.179 -10.094
  251   2HB   MET  32          1HB       MET  32   6.823   5.594  -9.385
  252   1HG   MET  32          2HG       MET  32   7.049   8.196  -7.847
  253   2HG   MET  32          1HG       MET  32   5.546   7.349  -8.209
  254   1HE   MET  32          1HE       MET  32   4.750   5.229  -7.233
  255   2HE   MET  32          2HE       MET  32   5.692   4.110  -6.251
  256   3HE   MET  32          3HE       MET  32   6.131   4.376  -7.936
  257    H    LEU  33           HN       LEU  33  10.136   7.243 -10.909
  258    HA   LEU  33           HA       LEU  33  10.201   4.855 -12.547
  259   1HB   LEU  33          2HB       LEU  33  11.617   7.511 -12.431
  260   2HB   LEU  33          1HB       LEU  33  12.132   6.281 -13.586
  261    HG   LEU  33           HG       LEU  33   9.238   7.140 -13.356
  262   1HD1  LEU  33          1HD1      LEU  33  11.490   8.640 -14.395
  263   2HD1  LEU  33          2HD1      LEU  33   9.795   9.116 -14.286
  264   3HD1  LEU  33          3HD1      LEU  33  10.372   8.225 -15.695
  265   1HD2  LEU  33          1HD2      LEU  33   8.984   6.023 -15.416
  266   2HD2  LEU  33          2HD2      LEU  33  10.062   4.968 -14.502
  267   3HD2  LEU  33          3HD2      LEU  33  10.717   6.040 -15.740
  268    H    ASP  34           HN       ASP  34  12.327   6.241 -10.077
  269    HA   ASP  34           HA       ASP  34  14.400   4.184 -10.532
  270   1HB   ASP  34          2HB       ASP  34  14.952   6.539 -10.034
  271   2HB   ASP  34          1HB       ASP  34  14.080   6.423  -8.505
  272    H    GLY  35           HN       GLY  35  13.933   2.170  -9.686
  273   1HA   GLY  35          2HA       GLY  35  14.072   0.995  -7.473
  274   2HA   GLY  35          1HA       GLY  35  12.826   2.104  -6.904
  275    H    LEU  36           HN       LEU  36  10.888   2.048  -8.777
  276    HA   LEU  36           HA       LEU  36   9.506  -0.336  -8.191
  277   1HB   LEU  36          2HB       LEU  36   8.614   1.910  -8.933
  278   2HB   LEU  36          1HB       LEU  36   9.077   1.478 -10.580
  279    HG   LEU  36           HG       LEU  36   7.423  -0.461  -9.007
  280   1HD1  LEU  36          1HD1      LEU  36   6.498   2.166 -10.155
  281   2HD1  LEU  36          2HD1      LEU  36   6.080   1.426  -8.610
  282   3HD1  LEU  36          3HD1      LEU  36   5.413   0.777 -10.108
  283   1HD2  LEU  36          1HD2      LEU  36   7.141  -1.408 -11.046
  284   2HD2  LEU  36          2HD2      LEU  36   8.446  -0.349 -11.585
  285   3HD2  LEU  36          3HD2      LEU  36   6.765   0.143 -11.799
  286    H    GLU  37           HN       GLU  37   9.057  -2.213  -9.402
  287    HA   GLU  37           HA       GLU  37  10.521  -2.627 -11.967
  288   1HB   GLU  37          2HB       GLU  37  11.531  -4.654 -11.082
  289   2HB   GLU  37          1HB       GLU  37  11.891  -3.339  -9.963
  290   1HG   GLU  37          2HG       GLU  37   9.993  -4.024  -8.541
  291   2HG   GLU  37          1HG       GLU  37   9.633  -5.342  -9.656
  292    H    THR  38           HN       THR  38   9.731  -4.721 -13.016
  293    HA   THR  38           HA       THR  38   6.843  -4.853 -12.979
  294    HB   THR  38           HB       THR  38   7.809  -7.119 -14.253
  295    HG1  THR  38           HG1      THR  38   9.780  -6.753 -14.883
  296   1HG2  THR  38          1HG2      THR  38   6.352  -5.878 -15.517
  297   2HG2  THR  38          2HG2      THR  38   7.865  -5.353 -16.256
  298   3HG2  THR  38          3HG2      THR  38   7.082  -4.345 -15.039
  299    H    GLY  39           HN       GLY  39   5.548  -6.701 -12.299
  300   1HA   GLY  39          2HA       GLY  39   4.972  -8.508 -10.904
  301   2HA   GLY  39          1HA       GLY  39   6.686  -8.825 -10.662
  302    H    ALA  40           HN       ALA  40   6.283  -5.595 -10.106
  303    HA   ALA  40           HA       ALA  40   6.410  -5.885  -7.186
  304   1HB   ALA  40          1HB       ALA  40   6.426  -3.310  -7.481
  305   2HB   ALA  40          2HB       ALA  40   6.444  -3.643  -9.215
  306   3HB   ALA  40          3HB       ALA  40   7.769  -4.207  -8.193
  307    H    SER  41           HN       SER  41   4.789  -4.746  -5.760
  308    HA   SER  41           HA       SER  41   2.063  -4.880  -6.979
  309   1HB   SER  41          2HB       SER  41   1.678  -4.489  -4.333
  310   2HB   SER  41          1HB       SER  41   1.963  -6.081  -5.024
  311    HG   SER  41           HG       SER  41   3.986  -6.050  -4.298
  312    H    VAL  42           HN       VAL  42   1.445  -2.936  -7.811
  313    HA   VAL  42           HA       VAL  42   2.214  -0.429  -6.379
  314    HB   VAL  42           HB       VAL  42   1.599  -1.237  -9.179
  315   1HG1  VAL  42          1HG1      VAL  42   1.236   1.410  -9.479
  316   2HG1  VAL  42          2HG1      VAL  42   0.435   1.185  -7.924
  317   3HG1  VAL  42          3HG1      VAL  42  -0.105   0.275  -9.335
  318   1HG2  VAL  42          1HG2      VAL  42   3.730  -0.152  -7.776
  319   2HG2  VAL  42          2HG2      VAL  42   3.071   1.220  -8.670
  320   3HG2  VAL  42          3HG2      VAL  42   3.587  -0.230  -9.534
  321    H    ALA  43           HN       ALA  43   0.658   0.527  -5.156
  322    HA   ALA  43           HA       ALA  43  -2.160  -0.383  -5.422
  323   1HB   ALA  43          1HB       ALA  43  -1.089  -0.262  -3.190
  324   2HB   ALA  43          2HB       ALA  43  -2.426   0.882  -3.311
  325   3HB   ALA  43          3HB       ALA  43  -0.762   1.452  -3.446
  326    H    HIS  44           HN       HIS  44  -3.412   0.797  -6.806
  327    HA   HIS  44           HA       HIS  44  -2.606   3.548  -7.562
  328   1HB   HIS  44          2HB       HIS  44  -4.485   1.419  -8.529
  329   2HB   HIS  44          1HB       HIS  44  -4.830   3.091  -8.969
  330    HD1  HIS  44           HD1      HIS  44  -1.365   1.500  -8.685
  331    HD2  HIS  44           HD2      HIS  44  -3.904   3.113 -11.587
  332    HE1  HIS  44           HE1      HIS  44  -0.032   1.604 -10.840
  333    HE2  HIS  44           HE2      HIS  44  -1.566   2.580 -12.601
  334    H    ASN  45           HN       ASN  45  -3.184   4.986  -6.041
  335    HA   ASN  45           HA       ASN  45  -4.384   6.107  -4.381
  336   1HB   ASN  45          2HB       ASN  45  -6.020   5.901  -6.515
  337   2HB   ASN  45          1HB       ASN  45  -6.962   4.979  -5.339
  338   1HD2  ASN  45          1HD2      ASN  45  -5.931   8.182  -6.242
  339   2HD2  ASN  45          2HD2      ASN  45  -6.640   9.005  -4.945
  340    H    GLY  46           HN       GLY  46  -3.781   2.999  -4.329
  341   1HA   GLY  46          2HA       GLY  46  -3.634   2.077  -2.062
  342   2HA   GLY  46          1HA       GLY  46  -5.270   2.657  -1.775
  343    H    CYS  47           HN       CYS  47  -5.228   1.357  -4.877
  344    HA   CYS  47           HA       CYS  47  -6.276  -1.248  -3.841
  345   1HB   CYS  47          2HB       CYS  47  -7.621   0.241  -5.415
  346   2HB   CYS  47          1HB       CYS  47  -6.398  -0.088  -6.643
  347    HG   CYS  47           HG       CYS  47  -8.593  -1.998  -5.811
  348    H    CYS  48           HN       CYS  48  -4.628  -2.739  -3.710
  349    HA   CYS  48           HA       CYS  48  -2.154  -2.356  -5.136
  350   1HB   CYS  48          2HB       CYS  48  -1.547  -4.454  -3.935
  351   2HB   CYS  48          1HB       CYS  48  -2.326  -3.279  -2.872
  352    HG   CYS  48           HG       CYS  48  -3.691  -5.867  -3.955
  353    H    LEU  49           HN       LEU  49  -1.634  -3.061  -7.124
  354    HA   LEU  49           HA       LEU  49  -2.682  -5.693  -8.028
  355   1HB   LEU  49          2HB       LEU  49  -2.704  -4.570 -10.389
  356   2HB   LEU  49          1HB       LEU  49  -4.056  -4.263  -9.301
  357    HG   LEU  49           HG       LEU  49  -1.679  -2.428  -9.241
  358   1HD1  LEU  49          1HD1      LEU  49  -2.163  -1.441 -11.232
  359   2HD1  LEU  49          2HD1      LEU  49  -3.903  -1.602 -10.986
  360   3HD1  LEU  49          3HD1      LEU  49  -2.972  -2.964 -11.613
  361   1HD2  LEU  49          1HD2      LEU  49  -4.486  -1.475  -9.099
  362   2HD2  LEU  49          2HD2      LEU  49  -3.108  -1.055  -8.082
  363   3HD2  LEU  49          3HD2      LEU  49  -3.994  -2.552  -7.793
  364    H    THR  50           HN       THR  50  -1.212  -6.485  -9.918
  365    HA   THR  50           HA       THR  50   1.585  -5.880  -9.096
  366    HB   THR  50           HB       THR  50   0.425  -8.160 -10.731
  367    HG1  THR  50           HG1      THR  50  -0.432  -8.123  -8.648
  368   1HG2  THR  50          1HG2      THR  50   2.722  -8.218 -11.143
  369   2HG2  THR  50          2HG2      THR  50   2.604  -9.224  -9.700
  370   3HG2  THR  50          3HG2      THR  50   3.125  -7.546  -9.564
  371    H    VAL  51           HN       VAL  51   3.219  -5.502 -10.653
  372    HA   VAL  51           HA       VAL  51   2.379  -4.033 -13.030
  373    HB   VAL  51           HB       VAL  51   5.133  -4.961 -12.158
  374   1HG1  VAL  51          1HG1      VAL  51   5.618  -2.621 -13.209
  375   2HG1  VAL  51          2HG1      VAL  51   4.063  -2.860 -14.008
  376   3HG1  VAL  51          3HG1      VAL  51   5.375  -4.010 -14.269
  377   1HG2  VAL  51          1HG2      VAL  51   3.274  -3.282 -10.788
  378   2HG2  VAL  51          2HG2      VAL  51   4.600  -2.281 -11.381
  379   3HG2  VAL  51          3HG2      VAL  51   4.936  -3.672 -10.349
  380    H    THR  52           HN       THR  52   1.711  -5.198 -14.810
  381    HA   THR  52           HA       THR  52   2.548  -7.909 -15.405
  382    HB   THR  52           HB       THR  52   1.267  -7.516 -17.438
  383    HG1  THR  52           HG1      THR  52   1.644  -5.627 -18.273
  384   1HG2  THR  52          1HG2      THR  52  -0.063  -5.844 -15.312
  385   2HG2  THR  52          2HG2      THR  52   0.123  -7.589 -15.141
  386   3HG2  THR  52          3HG2      THR  52  -0.817  -6.929 -16.480
  387    H    GLU  53           HN       GLU  53   3.491  -4.672 -16.551
  388    HA   GLU  53           HA       GLU  53   6.132  -5.680 -17.363
  389   1HB   GLU  53          2HB       GLU  53   4.662  -6.467 -19.177
  390   2HB   GLU  53          1HB       GLU  53   4.070  -4.822 -19.417
  391   1HG   GLU  53          2HG       GLU  53   6.353  -4.079 -19.983
  392   2HG   GLU  53          1HG       GLU  53   6.949  -5.723 -19.746
  393    H    ILE  54           HN       ILE  54   7.573  -3.955 -17.874
  394    HA   ILE  54           HA       ILE  54   6.500  -1.194 -17.364
  395    HB   ILE  54           HB       ILE  54   9.245  -2.469 -17.097
  396   1HG1  ILE  54          2HG1      ILE  54   7.935  -1.002 -14.888
  397   2HG1  ILE  54          1HG1      ILE  54   7.139  -2.500 -15.365
  398   1HG2  ILE  54          1HG2      ILE  54   9.258  -0.093 -17.984
  399   2HG2  ILE  54          2HG2      ILE  54  10.070  -0.301 -16.431
  400   3HG2  ILE  54          3HG2      ILE  54   8.446   0.390 -16.495
  401   1HD1  ILE  54          1HD1      ILE  54   8.840  -3.805 -14.575
  402   2HD1  ILE  54          2HD1      ILE  54   9.236  -2.378 -13.613
  403   3HD1  ILE  54          3HD1      ILE  54  10.081  -2.680 -15.132
  404    H    ASN  55           HN       ASN  55   6.534   0.199 -19.017
  405    HA   ASN  55           HA       ASN  55   7.903  -0.616 -21.547
  406   1HB   ASN  55          2HB       ASN  55   5.529   1.106 -20.829
  407   2HB   ASN  55          1HB       ASN  55   6.282   1.219 -22.421
  408   1HD2  ASN  55          1HD2      ASN  55   4.114  -0.649 -20.472
  409   2HD2  ASN  55          2HD2      ASN  55   3.887  -1.926 -21.567
  410    H    GLY  56           HN       GLY  56   9.839   0.237 -20.098
  411   1HA   GLY  56          2HA       GLY  56  11.515   1.923 -20.009
  412   2HA   GLY  56          1HA       GLY  56  10.453   2.990 -20.933
  413    H    ASN  57           HN       ASN  57   9.592   4.655 -19.775
  414    HA   ASN  57           HA       ASN  57   9.715   4.600 -16.848
  415   1HB   ASN  57          2HB       ASN  57   9.673   6.854 -17.122
  416   2HB   ASN  57          1HB       ASN  57   9.821   6.516 -18.831
  417   1HD2  ASN  57          1HD2      ASN  57   7.333   6.742 -16.327
  418   2HD2  ASN  57          2HD2      ASN  57   6.127   7.416 -17.312
  419    H    HIS  58           HN       HIS  58   7.431   3.834 -19.350
  420    HA   HIS  58           HA       HIS  58   5.016   4.258 -17.792
  421   1HB   HIS  58          2HB       HIS  58   5.814   2.886 -20.335
  422   2HB   HIS  58          1HB       HIS  58   4.204   2.607 -19.681
  423    HD1  HIS  58           HD1      HIS  58   5.430   4.543 -22.198
  424    HD2  HIS  58           HD2      HIS  58   3.349   5.609 -18.740
  425    HE1  HIS  58           HE1      HIS  58   4.366   6.793 -22.660
  426    H    VAL  59           HN       VAL  59   3.623   2.501 -17.008
  427    HA   VAL  59           HA       VAL  59   4.960  -0.130 -16.717
  428    HB   VAL  59           HB       VAL  59   3.884   1.611 -14.486
  429   1HG1  VAL  59          1HG1      VAL  59   4.896  -1.238 -14.455
  430   2HG1  VAL  59          2HG1      VAL  59   3.238  -0.732 -14.137
  431   3HG1  VAL  59          3HG1      VAL  59   4.529  -0.285 -13.020
  432   1HG2  VAL  59          1HG2      VAL  59   6.399   0.819 -13.808
  433   2HG2  VAL  59          2HG2      VAL  59   6.059   2.311 -14.687
  434   3HG2  VAL  59          3HG2      VAL  59   6.545   0.859 -15.568
  435    H    SER  60           HN       SER  60   3.532  -1.581 -17.462
  436    HA   SER  60           HA       SER  60   0.631  -1.042 -17.560
  437   1HB   SER  60          2HB       SER  60   2.295  -3.437 -18.393
  438   2HB   SER  60          1HB       SER  60   0.639  -3.101 -18.885
  439    HG   SER  60           HG       SER  60   2.650  -2.412 -20.220
  440    H    PHE  61           HN       PHE  61  -0.752  -1.809 -15.941
  441    HA   PHE  61           HA       PHE  61   0.310  -3.948 -14.132
  442   1HB   PHE  61          2HB       PHE  61  -1.756  -1.757 -13.705
  443   2HB   PHE  61          1HB       PHE  61  -1.317  -2.962 -12.498
  444    HD1  PHE  61           HD1      PHE  61  -0.202   0.026 -14.341
  445    HD2  PHE  61           HD2      PHE  61   0.859  -2.909 -11.385
  446    HE1  PHE  61           HE1      PHE  61   1.700   1.445 -13.614
  447    HE2  PHE  61           HE2      PHE  61   2.761  -1.489 -10.659
  448    HZ   PHE  61           HZ       PHE  61   3.181   0.687 -11.772
  449    H    ASP  62           HN       ASP  62  -1.346  -5.537 -13.394
  450    HA   ASP  62           HA       ASP  62  -3.228  -6.183 -15.602
  451   1HB   ASP  62          2HB       ASP  62  -3.334  -8.366 -14.403
  452   2HB   ASP  62          1HB       ASP  62  -1.675  -7.890 -14.749
  453    H    LEU  63           HN       LEU  63  -5.402  -6.488 -15.349
  454    HA   LEU  63           HA       LEU  63  -6.708  -5.893 -12.754
  455   1HB   LEU  63          2HB       LEU  63  -6.117  -4.015 -14.850
  456   2HB   LEU  63          1HB       LEU  63  -7.856  -4.226 -14.758
  457    HG   LEU  63           HG       LEU  63  -6.794  -4.054 -12.092
  458   1HD1  LEU  63          1HD1      LEU  63  -6.315  -1.412 -13.192
  459   2HD1  LEU  63          2HD1      LEU  63  -5.253  -2.602 -13.953
  460   3HD1  LEU  63          3HD1      LEU  63  -5.254  -2.409 -12.197
  461   1HD2  LEU  63          1HD2      LEU  63  -8.617  -2.660 -11.813
  462   2HD2  LEU  63          2HD2      LEU  63  -9.081  -3.342 -13.371
  463   3HD2  LEU  63          3HD2      LEU  63  -8.283  -1.772 -13.301
  464    H    MET  64           HN       MET  64  -8.224  -7.577 -12.718
  465    HA   MET  64           HA       MET  64  -9.202  -8.831 -15.155
  466   1HB   MET  64          2HB       MET  64  -8.972  -9.864 -12.849
  467   2HB   MET  64          1HB       MET  64 -10.371  -8.913 -12.359
  468   1HG   MET  64          2HG       MET  64 -11.654  -9.952 -14.260
  469   2HG   MET  64          1HG       MET  64 -10.276 -11.019 -14.530
  470   1HE   MET  64          1HE       MET  64  -9.925 -13.422 -12.458
  471   2HE   MET  64          2HE       MET  64  -9.610 -12.330 -11.112
  472   3HE   MET  64          3HE       MET  64  -9.054 -11.907 -12.729
  473    H    LYS  65           HN       LYS  65 -11.115  -8.376 -16.271
  474    HA   LYS  65           HA       LYS  65 -12.229  -5.778 -16.145
  475   1HB   LYS  65          2HB       LYS  65 -12.291  -7.301 -18.086
  476   2HB   LYS  65          1HB       LYS  65 -13.383  -8.376 -17.212
  477   1HG   LYS  65          2HG       LYS  65 -15.054  -6.567 -17.063
  478   2HG   LYS  65          1HG       LYS  65 -13.965  -5.490 -17.942
  479   1HD   LYS  65          2HD       LYS  65 -14.005  -7.023 -19.878
  480   2HD   LYS  65          1HD       LYS  65 -15.100  -8.096 -19.004
  481   1HE   LYS  65          2HE       LYS  65 -16.237  -5.491 -18.865
  482   2HE   LYS  65          1HE       LYS  65 -15.769  -5.769 -20.554
  483   1HZ   LYS  65          1HZ       LYS  65 -17.846  -6.798 -20.352
  484   2HZ   LYS  65          2HZ       LYS  65 -17.486  -7.449 -18.825
  485   3HZ   LYS  65          3HZ       LYS  65 -16.741  -8.078 -20.216
  486    H    GLU  66           HN       GLU  66 -13.447  -8.853 -14.785
  487    HA   GLU  66           HA       GLU  66 -15.845  -7.675 -13.672
  488   1HB   GLU  66          2HB       GLU  66 -15.545 -10.082 -14.162
  489   2HB   GLU  66          1HB       GLU  66 -14.263 -10.170 -12.954
  490   1HG   GLU  66          2HG       GLU  66 -15.865  -9.511 -11.198
  491   2HG   GLU  66          1HG       GLU  66 -17.150  -9.426 -12.403
  492    H    THR  67           HN       THR  67 -12.584  -8.331 -12.387
  493    HA   THR  67           HA       THR  67 -13.052  -7.352  -9.711
  494    HB   THR  67           HB       THR  67 -10.577  -7.310 -11.472
  495    HG1  THR  67           HG1      THR  67 -10.227  -9.213  -9.958
  496   1HG2  THR  67          1HG2      THR  67 -11.017  -6.935  -8.509
  497   2HG2  THR  67          2HG2      THR  67 -10.168  -5.868  -9.628
  498   3HG2  THR  67          3HG2      THR  67  -9.454  -7.414  -9.170
  499    H    LEU  68           HN       LEU  68 -12.291  -5.807 -12.802
  500    HA   LEU  68           HA       LEU  68 -11.669  -3.200 -11.887
  501   1HB   LEU  68          2HB       LEU  68 -11.410  -4.246 -14.175
  502   2HB   LEU  68          1HB       LEU  68 -13.151  -4.081 -14.384
  503    HG   LEU  68           HG       LEU  68 -12.883  -1.611 -13.940
  504   1HD1  LEU  68          1HD1      LEU  68 -10.712  -0.633 -13.937
  505   2HD1  LEU  68          2HD1      LEU  68  -9.956  -2.124 -14.493
  506   3HD1  LEU  68          3HD1      LEU  68 -10.578  -2.011 -12.847
  507   1HD2  LEU  68          1HD2      LEU  68 -12.985  -1.574 -16.190
  508   2HD2  LEU  68          2HD2      LEU  68 -12.275  -3.189 -16.251
  509   3HD2  LEU  68          3HD2      LEU  68 -11.232  -1.765 -16.258
  510    H    ARG  69           HN       ARG  69 -14.781  -4.727 -12.754
  511    HA   ARG  69           HA       ARG  69 -16.432  -2.433 -12.041
  512   1HB   ARG  69          2HB       ARG  69 -17.244  -4.119 -13.552
  513   2HB   ARG  69          1HB       ARG  69 -16.889  -5.405 -12.398
  514   1HG   ARG  69          2HG       ARG  69 -18.571  -4.484 -10.847
  515   2HG   ARG  69          1HG       ARG  69 -18.931  -3.199 -12.002
  516   1HD   ARG  69          2HD       ARG  69 -19.643  -4.874 -13.667
  517   2HD   ARG  69          1HD       ARG  69 -19.272  -6.174 -12.518
  518    HE   ARG  69           HE       ARG  69 -21.241  -5.613 -11.334
  519   1HH1  ARG  69          1HH1      ARG  69 -20.239  -3.060 -13.437
  520   2HH1  ARG  69          2HH1      ARG  69 -21.641  -2.090 -13.134
  521   1HH2  ARG  69          1HH2      ARG  69 -23.069  -4.355 -10.934
  522   2HH2  ARG  69          2HH2      ARG  69 -23.240  -2.821 -11.720
  523    H    ILE  70           HN       ILE  70 -15.349  -5.374 -10.336
  524    HA   ILE  70           HA       ILE  70 -16.951  -5.090  -8.015
  525    HB   ILE  70           HB       ILE  70 -15.136  -6.848  -9.101
  526   1HG1  ILE  70          2HG1      ILE  70 -16.036  -6.978  -6.224
  527   2HG1  ILE  70          1HG1      ILE  70 -17.148  -7.201  -7.576
  528   1HG2  ILE  70          1HG2      ILE  70 -13.150  -5.876  -8.194
  529   2HG2  ILE  70          2HG2      ILE  70 -13.512  -7.271  -7.181
  530   3HG2  ILE  70          3HG2      ILE  70 -13.903  -5.647  -6.617
  531   1HD1  ILE  70          1HD1      ILE  70 -14.884  -8.946  -6.679
  532   2HD1  ILE  70          2HD1      ILE  70 -15.303  -8.917  -8.391
  533   3HD1  ILE  70          3HD1      ILE  70 -16.507  -9.400  -7.197
  534    H    THR  71           HN       THR  71 -13.723  -3.922  -8.799
  535    HA   THR  71           HA       THR  71 -13.516  -2.369  -6.301
  536    HB   THR  71           HB       THR  71 -11.269  -1.993  -7.046
  537    HG1  THR  71           HG1      THR  71 -10.948  -2.895  -9.366
  538   1HG2  THR  71          1HG2      THR  71 -11.403  -4.592  -8.373
  539   2HG2  THR  71          2HG2      THR  71 -12.310  -4.555  -6.862
  540   3HG2  THR  71          3HG2      THR  71 -10.596  -4.138  -6.873
  541    H    ASN  72           HN       ASN  72 -12.485  -0.033  -7.006
  542    HA   ASN  72           HA       ASN  72 -14.408   1.181  -8.942
  543   1HB   ASN  72          2HB       ASN  72 -14.641   2.310  -6.919
  544   2HB   ASN  72          1HB       ASN  72 -12.970   2.033  -6.456
  545   1HD2  ASN  72          1HD2      ASN  72 -12.276   4.167  -6.099
  546   2HD2  ASN  72          2HD2      ASN  72 -12.316   5.382  -7.285
  547    H    LEU  73           HN       LEU  73 -11.825  -0.420  -9.400
  548    HA   LEU  73           HA       LEU  73  -9.818   1.431 -10.384
  549   1HB   LEU  73          2HB       LEU  73 -10.521  -1.468 -10.931
  550   2HB   LEU  73          1HB       LEU  73  -9.081  -0.685 -11.580
  551    HG   LEU  73           HG       LEU  73  -9.762  -0.953  -8.628
  552   1HD1  LEU  73          1HD1      LEU  73  -7.881  -2.516  -8.578
  553   2HD1  LEU  73          2HD1      LEU  73  -7.595  -2.268 -10.295
  554   3HD1  LEU  73          3HD1      LEU  73  -9.070  -3.068  -9.754
  555   1HD2  LEU  73          1HD2      LEU  73  -7.198  -0.231  -8.639
  556   2HD2  LEU  73          2HD2      LEU  73  -8.479   0.981  -8.688
  557   3HD2  LEU  73          3HD2      LEU  73  -7.651   0.511 -10.173
  558    H    GLY  74           HN       GLY  74 -12.599  -0.258 -11.877
  559   1HA   GLY  74          2HA       GLY  74 -12.219   0.255 -14.558
  560   2HA   GLY  74          1HA       GLY  74 -13.807   0.322 -13.806
  561    H    ASP  75           HN       ASP  75 -12.806   2.614 -12.062
  562    HA   ASP  75           HA       ASP  75 -13.877   4.726 -13.652
  563   1HB   ASP  75          2HB       ASP  75 -13.307   6.076 -11.722
  564   2HB   ASP  75          1HB       ASP  75 -13.789   4.483 -11.140
  565    H    LEU  76           HN       LEU  76 -10.651   3.461 -13.428
  566    HA   LEU  76           HA       LEU  76  -9.103   5.767 -14.001
  567   1HB   LEU  76          2HB       LEU  76  -8.749   2.862 -14.765
  568   2HB   LEU  76          1HB       LEU  76  -7.470   4.069 -14.846
  569    HG   LEU  76           HG       LEU  76  -9.012   3.427 -12.319
  570   1HD1  LEU  76          1HD1      LEU  76  -6.807   2.039 -13.631
  571   2HD1  LEU  76          2HD1      LEU  76  -7.757   1.551 -12.227
  572   3HD1  LEU  76          3HD1      LEU  76  -6.359   2.607 -12.023
  573   1HD2  LEU  76          1HD2      LEU  76  -7.463   5.626 -13.024
  574   2HD2  LEU  76          2HD2      LEU  76  -6.330   4.595 -12.147
  575   3HD2  LEU  76          3HD2      LEU  76  -7.829   5.115 -11.375
  576    H    LYS  77           HN       LYS  77  -8.489   6.745 -15.899
  577    HA   LYS  77           HA       LYS  77  -9.323   5.606 -18.509
  578   1HB   LYS  77          2HB       LYS  77 -10.202   8.281 -17.375
  579   2HB   LYS  77          1HB       LYS  77 -10.353   7.856 -19.081
  580   1HG   LYS  77          2HG       LYS  77 -11.731   5.901 -18.478
  581   2HG   LYS  77          1HG       LYS  77 -11.585   6.324 -16.772
  582   1HD   LYS  77          2HD       LYS  77 -12.691   8.486 -17.210
  583   2HD   LYS  77          1HD       LYS  77 -12.841   8.062 -18.916
  584   1HE   LYS  77          2HE       LYS  77 -14.041   5.904 -17.989
  585   2HE   LYS  77          1HE       LYS  77 -14.298   6.911 -16.551
  586   1HZ   LYS  77          1HZ       LYS  77 -15.497   7.124 -19.145
  587   2HZ   LYS  77          2HZ       LYS  77 -14.802   8.592 -18.646
  588   3HZ   LYS  77          3HZ       LYS  77 -15.973   7.829 -17.680
  589    H    VAL  78           HN       VAL  78  -7.821   6.152 -20.104
  590    HA   VAL  78           HA       VAL  78  -5.276   7.088 -19.295
  591    HB   VAL  78           HB       VAL  78  -6.458   7.148 -22.083
  592   1HG1  VAL  78          1HG1      VAL  78  -3.989   6.384 -22.505
  593   2HG1  VAL  78          2HG1      VAL  78  -3.693   7.059 -20.898
  594   3HG1  VAL  78          3HG1      VAL  78  -4.311   8.095 -22.185
  595   1HG2  VAL  78          1HG2      VAL  78  -6.555   4.900 -22.058
  596   2HG2  VAL  78          2HG2      VAL  78  -6.369   4.988 -20.306
  597   3HG2  VAL  78          3HG2      VAL  78  -4.952   4.775 -21.335
  598    H    GLY  79           HN       GLY  79  -4.177   9.063 -19.799
  599   1HA   GLY  79          2HA       GLY  79  -4.075  11.395 -20.328
  600   2HA   GLY  79          1HA       GLY  79  -5.824  11.390 -20.569
  601    H    ASP  80           HN       ASP  80  -5.809   9.667 -17.942
  602    HA   ASP  80           HA       ASP  80  -5.908  12.008 -16.088
  603   1HB   ASP  80          2HB       ASP  80  -7.819  10.317 -16.506
  604   2HB   ASP  80          1HB       ASP  80  -6.828   9.165 -15.614
  605    H    TRP  81           HN       TRP  81  -5.092  11.426 -13.792
  606    HA   TRP  81           HA       TRP  81  -2.650   9.687 -13.998
  607   1HB   TRP  81          2HB       TRP  81  -3.219  12.267 -12.527
  608   2HB   TRP  81          1HB       TRP  81  -1.841  11.249 -12.124
  609    HD1  TRP  81           HD1      TRP  81  -3.333  12.434 -15.504
  610    HE1  TRP  81           HE1      TRP  81  -1.401  13.320 -16.954
  611    HE3  TRP  81           HE3      TRP  81   0.565  11.788 -12.267
  612    HZ2  TRP  81           HZ2      TRP  81   1.428  13.713 -16.769
  613    HZ3  TRP  81           HZ3      TRP  81   2.869  12.425 -12.928
  614    HH2  TRP  81           HH2      TRP  81   3.303  13.386 -15.175
  615    H    VAL  82           HN       VAL  82  -2.025   8.789 -11.800
  616    HA   VAL  82           HA       VAL  82  -4.417   8.160 -10.125
  617    HB   VAL  82           HB       VAL  82  -4.037   6.236 -11.475
  618   1HG1  VAL  82          1HG1      VAL  82  -2.087   6.368 -12.645
  619   2HG1  VAL  82          2HG1      VAL  82  -1.442   5.413 -11.308
  620   3HG1  VAL  82          3HG1      VAL  82  -1.239   7.165 -11.318
  621   1HG2  VAL  82          1HG2      VAL  82  -2.164   5.389  -9.336
  622   2HG2  VAL  82          2HG2      VAL  82  -3.678   4.647  -9.862
  623   3HG2  VAL  82          3HG2      VAL  82  -3.708   6.047  -8.788
  624    H    ASN  83           HN       ASN  83  -3.911   7.694  -7.922
  625    HA   ASN  83           HA       ASN  83  -1.392   8.818  -6.845
  626   1HB   ASN  83          2HB       ASN  83  -4.088   8.068  -5.969
  627   2HB   ASN  83          1HB       ASN  83  -2.856   7.520  -4.842
  628   1HD2  ASN  83          1HD2      ASN  83  -3.931   9.266  -3.420
  629   2HD2  ASN  83          2HD2      ASN  83  -3.360  10.856  -3.579
  630    H    VAL  84           HN       VAL  84   0.336   7.419  -7.236
  631    HA   VAL  84           HA       VAL  84  -0.207   4.500  -6.958
  632    HB   VAL  84           HB       VAL  84   2.201   4.543  -8.127
  633   1HG1  VAL  84          1HG1      VAL  84  -0.297   5.233  -9.687
  634   2HG1  VAL  84          2HG1      VAL  84  -0.041   3.659  -8.930
  635   3HG1  VAL  84          3HG1      VAL  84   1.056   4.217 -10.194
  636   1HG2  VAL  84          1HG2      VAL  84   2.241   7.092  -7.965
  637   2HG2  VAL  84          2HG2      VAL  84   0.939   7.097  -9.155
  638   3HG2  VAL  84          3HG2      VAL  84   2.515   6.428  -9.576
  639    H    GLU  85           HN       GLU  85   0.865   3.254  -5.542
  640    HA   GLU  85           HA       GLU  85   3.017   4.502  -3.857
  641   1HB   GLU  85          2HB       GLU  85   0.814   4.687  -2.761
  642   2HB   GLU  85          1HB       GLU  85   0.570   2.949  -2.948
  643   1HG   GLU  85          2HG       GLU  85   2.561   2.519  -1.552
  644   2HG   GLU  85          1HG       GLU  85   2.801   4.256  -1.362
  645    H    ARG  86           HN       ARG  86   4.650   3.051  -3.270
  646    HA   ARG  86           HA       ARG  86   4.783   0.573  -4.801
  647   1HB   ARG  86          2HB       ARG  86   7.071   0.565  -3.984
  648   2HB   ARG  86          1HB       ARG  86   6.638   2.226  -4.389
  649   1HG   ARG  86          2HG       ARG  86   6.077   2.628  -1.993
  650   2HG   ARG  86          1HG       ARG  86   6.627   0.995  -1.618
  651   1HD   ARG  86          2HD       ARG  86   8.877   1.577  -2.555
  652   2HD   ARG  86          1HD       ARG  86   8.312   3.247  -2.766
  653    HE   ARG  86           HE       ARG  86   8.406   3.527  -0.417
  654   1HH1  ARG  86          1HH1      ARG  86   8.522   0.196  -1.333
  655   2HH1  ARG  86          2HH1      ARG  86   8.848  -0.365   0.272
  656   1HH2  ARG  86          1HH2      ARG  86   8.831   2.802   1.678
  657   2HH2  ARG  86          2HH2      ARG  86   9.022   1.106   1.973
  658    H    ALA  87           HN       ALA  87   4.357  -1.468  -4.062
  659    HA   ALA  87           HA       ALA  87   4.194  -1.912  -1.104
  660   1HB   ALA  87          1HB       ALA  87   2.169  -2.984  -1.367
  661   2HB   ALA  87          2HB       ALA  87   2.548  -3.517  -3.003
  662   3HB   ALA  87          3HB       ALA  87   2.053  -1.850  -2.714
  663    H    ALA  88           HN       ALA  88   5.076  -3.864  -0.393
  664    HA   ALA  88           HA       ALA  88   6.417  -5.588  -2.450
  665   1HB   ALA  88          1HB       ALA  88   7.689  -5.001   0.193
  666   2HB   ALA  88          2HB       ALA  88   7.698  -3.726  -1.025
  667   3HB   ALA  88          3HB       ALA  88   8.449  -5.284  -1.373
  668    H    LYS  89           HN       LYS  89   6.424  -7.801  -1.956
  669    HA   LYS  89           HA       LYS  89   4.511  -8.787  -0.026
  670   1HB   LYS  89          2HB       LYS  89   6.728 -10.143  -1.595
  671   2HB   LYS  89          1HB       LYS  89   5.385 -10.974  -0.808
  672   1HG   LYS  89          2HG       LYS  89   5.192  -8.955  -3.062
  673   2HG   LYS  89          1HG       LYS  89   4.839 -10.681  -3.159
  674   1HD   LYS  89          2HD       LYS  89   3.063 -10.327  -1.396
  675   2HD   LYS  89          1HD       LYS  89   3.331  -8.591  -1.570
  676   1HE   LYS  89          2HE       LYS  89   1.705  -8.755  -3.181
  677   2HE   LYS  89          1HE       LYS  89   3.031  -9.361  -4.194
  678   1HZ   LYS  89          1HZ       LYS  89   0.921 -10.843  -2.819
  679   2HZ   LYS  89          2HZ       LYS  89   2.461 -11.559  -2.865
  680   3HZ   LYS  89          3HZ       LYS  89   1.665 -11.156  -4.311
  681    H    PHE  90           HN       PHE  90   8.068  -8.609  -0.099
  682    HA   PHE  90           HA       PHE  90   8.100  -8.909   2.858
  683   1HB   PHE  90          2HB       PHE  90   9.758 -10.721   2.678
  684   2HB   PHE  90          1HB       PHE  90   8.276 -11.167   1.834
  685    HD1  PHE  90           HD1      PHE  90   8.179 -11.248  -0.608
  686    HD2  PHE  90           HD2      PHE  90  11.796 -10.155   1.443
  687    HE1  PHE  90           HE1      PHE  90   9.462 -11.551  -2.711
  688    HE2  PHE  90           HE2      PHE  90  13.080 -10.458  -0.660
  689    HZ   PHE  90           HZ       PHE  90  11.913 -11.156  -2.737
  690    H    SER  91           HN       SER  91  10.211  -8.231   3.758
  691    HA   SER  91           HA       SER  91  12.014  -6.776   1.890
  692   1HB   SER  91          2HB       SER  91  10.143  -5.267   2.488
  693   2HB   SER  91          1HB       SER  91  10.491  -5.522   4.195
  694    HG   SER  91           HG       SER  91  11.442  -3.607   3.056
  695    H    ASP  92           HN       ASP  92  13.999  -6.055   2.990
  696    HA   ASP  92           HA       ASP  92  15.063  -7.992   4.824
  697   1HB   ASP  92          2HB       ASP  92  15.936  -5.256   3.860
  698   2HB   ASP  92          1HB       ASP  92  16.957  -6.289   4.861
  699    H    GLU  93           HN       GLU  93  13.742  -4.715   5.283
  700    HA   GLU  93           HA       GLU  93  13.729  -5.198   8.225
  701   1HB   GLU  93          2HB       GLU  93  14.964  -2.910   6.674
  702   2HB   GLU  93          1HB       GLU  93  14.618  -2.806   8.401
  703   1HG   GLU  93          2HG       GLU  93  16.054  -4.728   8.845
  704   2HG   GLU  93          1HG       GLU  93  16.340  -4.948   7.118
  705    H    ILE  94           HN       ILE  94  11.380  -5.481   7.432
  706    HA   ILE  94           HA       ILE  94   9.759  -3.256   6.611
  707    HB   ILE  94           HB       ILE  94   9.264  -5.738   8.285
  708   1HG1  ILE  94          2HG1      ILE  94   9.914  -6.036   5.889
  709   2HG1  ILE  94          1HG1      ILE  94   8.283  -6.611   6.230
  710   1HG2  ILE  94          1HG2      ILE  94   7.462  -3.489   7.521
  711   2HG2  ILE  94          2HG2      ILE  94   7.415  -4.537   8.939
  712   3HG2  ILE  94          3HG2      ILE  94   6.811  -5.123   7.389
  713   1HD1  ILE  94          1HD1      ILE  94   9.164  -4.276   4.611
  714   2HD1  ILE  94          2HD1      ILE  94   7.711  -4.054   5.583
  715   3HD1  ILE  94          3HD1      ILE  94   7.781  -5.345   4.384
  716    H    GLY  95           HN       GLY  95  10.659  -4.494   9.843
  717   1HA   GLY  95          2HA       GLY  95  11.011  -3.222  11.811
  718   2HA   GLY  95          1HA       GLY  95  10.505  -1.781  10.930
  719    H    GLY  96           HN       GLY  96   7.971  -2.526  10.062
  720   1HA   GLY  96          2HA       GLY  96   5.781  -3.112  10.863
  721   2HA   GLY  96          1HA       GLY  96   6.466  -3.375  12.468
  722    H    HIS  97           HN       HIS  97   4.514  -1.325  10.784
  723    HA   HIS  97           HA       HIS  97   4.924   0.843  12.780
  724   1HB   HIS  97          2HB       HIS  97   5.271   0.975   9.795
  725   2HB   HIS  97          1HB       HIS  97   4.710   2.403  10.665
  726    HD1  HIS  97           HD1      HIS  97   7.565   2.161   9.299
  727    HD2  HIS  97           HD2      HIS  97   6.771   1.589  13.351
  728    HE1  HIS  97           HE1      HIS  97   9.747   2.563  10.520
  729   1H    MET   1          1HT       MET   1   3.151  -5.284   5.808
  730   2H    MET   1          2HT       MET   1   3.589  -5.939   4.302
  731   3H    MET   1          3HT       MET   1   3.544  -6.929   5.682
  732    HA   MET   1           HA       MET   1   1.588  -7.333   4.314
  733   1HB   MET   1          2HB       MET   1   1.290  -5.880   6.958
  734   2HB   MET   1          1HB       MET   1  -0.033  -6.763   6.195
  735   1HG   MET   1          2HG       MET   1   1.326  -8.823   6.216
  736   2HG   MET   1          1HG       MET   1   2.650  -7.942   6.979
  737   1HE   MET   1          1HE       MET   1   2.469 -10.009   8.165
  738   2HE   MET   1          2HE       MET   1   0.949 -10.672   8.761
  739   3HE   MET   1          3HE       MET   1   2.037  -9.844   9.872
  740    H    PHE   2           HN       PHE   2   0.094  -6.440   2.902
  741    HA   PHE   2           HA       PHE   2  -1.126  -3.899   3.399
  742   1HB   PHE   2          2HB       PHE   2  -0.170  -2.606   1.621
  743   2HB   PHE   2          1HB       PHE   2   1.185  -3.277   2.520
  744    HD1  PHE   2           HD1      PHE   2  -1.024  -4.019  -0.425
  745    HD2  PHE   2           HD2      PHE   2   2.861  -4.453   1.367
  746    HE1  PHE   2           HE1      PHE   2  -0.184  -5.078  -2.505
  747    HE2  PHE   2           HE2      PHE   2   3.697  -5.516  -0.714
  748    HZ   PHE   2           HZ       PHE   2   2.176  -5.830  -2.648
  749    H    THR   3           HN       THR   3  -3.071  -3.856   2.273
  750    HA   THR   3           HA       THR   3  -3.413  -5.864   0.080
  751    HB   THR   3           HB       THR   3  -5.593  -6.392   1.193
  752    HG1  THR   3           HG1      THR   3  -4.700  -5.087   3.485
  753   1HG2  THR   3          1HG2      THR   3  -2.947  -6.751   2.560
  754   2HG2  THR   3          2HG2      THR   3  -4.011  -7.955   1.825
  755   3HG2  THR   3          3HG2      THR   3  -4.414  -7.269   3.397
  756    H    GLY   4           HN       GLY   4  -4.581  -2.935   1.700
  757   1HA   GLY   4          2HA       GLY   4  -5.892  -1.163   0.910
  758   2HA   GLY   4          1HA       GLY   4  -5.129  -1.477  -0.650
  759    H    ILE   5           HN       ILE   5  -6.831  -4.126   0.779
  760    HA   ILE   5           HA       ILE   5  -8.632  -4.198  -1.521
  761    HB   ILE   5           HB       ILE   5  -8.482  -5.858   1.022
  762   1HG1  ILE   5          2HG1      ILE   5  -7.291  -6.391  -1.714
  763   2HG1  ILE   5          1HG1      ILE   5  -6.374  -5.722  -0.365
  764   1HG2  ILE   5          1HG2      ILE   5 -10.116  -7.159   0.160
  765   2HG2  ILE   5          2HG2      ILE   5  -9.347  -7.179  -1.432
  766   3HG2  ILE   5          3HG2      ILE   5 -10.429  -5.854  -0.986
  767   1HD1  ILE   5          1HD1      ILE   5  -7.341  -8.487  -0.801
  768   2HD1  ILE   5          2HD1      ILE   5  -7.531  -7.872   0.841
  769   3HD1  ILE   5          3HD1      ILE   5  -5.933  -7.914   0.094
  770    H    VAL   6           HN       VAL   6 -10.660  -3.323  -1.612
  771    HA   VAL   6           HA       VAL   6 -11.608  -1.851   0.751
  772    HB   VAL   6           HB       VAL   6 -12.019  -1.877  -2.210
  773   1HG1  VAL   6          1HG1      VAL   6 -13.961  -0.417  -2.090
  774   2HG1  VAL   6          2HG1      VAL   6 -13.938  -0.469  -0.327
  775   3HG1  VAL   6          3HG1      VAL   6 -14.342  -1.919  -1.247
  776   1HG2  VAL   6          1HG2      VAL   6 -12.070   0.688  -0.942
  777   2HG2  VAL   6          2HG2      VAL   6 -10.805  -0.002  -1.963
  778   3HG2  VAL   6          3HG2      VAL   6 -10.776  -0.267  -0.219
  779    H    GLN   7           HN       GLN   7 -13.422  -2.310   1.911
  780    HA   GLN   7           HA       GLN   7 -14.724  -4.884   1.657
  781   1HB   GLN   7          2HB       GLN   7 -15.188  -2.385   3.299
  782   2HB   GLN   7          1HB       GLN   7 -16.140  -3.856   3.505
  783   1HG   GLN   7          2HG       GLN   7 -14.170  -5.135   4.073
  784   2HG   GLN   7          1HG       GLN   7 -13.115  -3.783   3.661
  785   1HE2  GLN   7          1HE2      GLN   7 -13.139  -5.002   6.285
  786   2HE2  GLN   7          2HE2      GLN   7 -13.708  -3.845   7.388
  787    H    GLY   8           HN       GLY   8 -15.549  -1.579   0.579
  788   1HA   GLY   8          2HA       GLY   8 -17.898  -2.700  -0.848
  789   2HA   GLY   8          1HA       GLY   8 -18.237  -1.544   0.436
  790    H    THR   9           HN       THR   9 -19.155  -0.677  -1.852
  791    HA   THR   9           HA       THR   9 -17.086   1.243  -2.866
  792    HB   THR   9           HB       THR   9 -18.364   0.998  -5.057
  793    HG1  THR   9           HG1      THR   9 -19.465  -1.176  -5.009
  794   1HG2  THR   9          1HG2      THR   9 -16.744  -1.135  -3.731
  795   2HG2  THR   9          2HG2      THR   9 -16.353  -0.136  -5.131
  796   3HG2  THR   9          3HG2      THR   9 -17.467  -1.492  -5.299
  797    H    ALA  10           HN       ALA  10 -18.171   3.172  -3.940
  798    HA   ALA  10           HA       ALA  10 -20.744   3.941  -2.586
  799   1HB   ALA  10          1HB       ALA  10 -19.489   5.270  -1.250
  800   2HB   ALA  10          2HB       ALA  10 -19.051   6.191  -2.688
  801   3HB   ALA  10          3HB       ALA  10 -18.020   4.865  -2.144
  802    H    LYS  11           HN       LYS  11 -21.973   5.461  -3.799
  803    HA   LYS  11           HA       LYS  11 -21.070   5.779  -6.635
  804   1HB   LYS  11          2HB       LYS  11 -23.225   4.654  -6.185
  805   2HB   LYS  11          1HB       LYS  11 -23.775   6.078  -5.309
  806   1HG   LYS  11          2HG       LYS  11 -23.619   7.448  -7.304
  807   2HG   LYS  11          1HG       LYS  11 -22.908   6.112  -8.208
  808   1HD   LYS  11          2HD       LYS  11 -24.915   5.111  -8.548
  809   2HD   LYS  11          1HD       LYS  11 -25.479   5.472  -6.915
  810   1HE   LYS  11          2HE       LYS  11 -25.816   7.869  -7.626
  811   2HE   LYS  11          1HE       LYS  11 -25.436   7.371  -9.287
  812   1HZ   LYS  11          1HZ       LYS  11 -27.763   6.738  -7.651
  813   2HZ   LYS  11          2HZ       LYS  11 -27.155   5.475  -8.611
  814   3HZ   LYS  11          3HZ       LYS  11 -27.644   6.934  -9.331
  815    H    LEU  12           HN       LEU  12 -20.130   7.752  -6.998
  816    HA   LEU  12           HA       LEU  12 -20.517  10.134  -5.415
  817   1HB   LEU  12          2HB       LEU  12 -18.748   9.450  -7.233
  818   2HB   LEU  12          1HB       LEU  12 -19.939  10.047  -8.367
  819    HG   LEU  12           HG       LEU  12 -19.904  12.243  -7.360
  820   1HD1  LEU  12          1HD1      LEU  12 -19.676  12.047  -5.071
  821   2HD1  LEU  12          2HD1      LEU  12 -18.004  12.435  -5.476
  822   3HD1  LEU  12          3HD1      LEU  12 -18.478  10.759  -5.196
  823   1HD2  LEU  12          1HD2      LEU  12 -18.020  12.734  -8.503
  824   2HD2  LEU  12          2HD2      LEU  12 -17.655  11.009  -8.561
  825   3HD2  LEU  12          3HD2      LEU  12 -17.024  12.001  -7.245
  826    H    VAL  13           HN       VAL  13 -22.305  11.392  -5.372
  827    HA   VAL  13           HA       VAL  13 -24.255  11.153  -7.632
  828    HB   VAL  13           HB       VAL  13 -25.130   9.891  -5.842
  829   1HG1  VAL  13          1HG1      VAL  13 -24.172  10.122  -3.822
  830   2HG1  VAL  13          2HG1      VAL  13 -25.257  11.493  -3.574
  831   3HG1  VAL  13          3HG1      VAL  13 -23.631  11.760  -4.194
  832   1HG2  VAL  13          1HG2      VAL  13 -26.435  12.388  -4.966
  833   2HG2  VAL  13          2HG2      VAL  13 -27.153  10.922  -5.638
  834   3HG2  VAL  13          3HG2      VAL  13 -26.429  12.123  -6.709
  835    H    SER  14           HN       SER  14 -22.839  13.169  -5.126
  836    HA   SER  14           HA       SER  14 -23.758  15.569  -6.653
  837   1HB   SER  14          2HB       SER  14 -25.065  14.606  -4.444
  838   2HB   SER  14          1HB       SER  14 -23.961  15.771  -3.721
  839    HG   SER  14           HG       SER  14 -25.967  16.163  -5.668
  840    H    ILE  15           HN       ILE  15 -22.280  17.267  -6.585
  841    HA   ILE  15           HA       ILE  15 -19.869  16.894  -4.833
  842    HB   ILE  15           HB       ILE  15 -20.133  18.671  -7.268
  843   1HG1  ILE  15          2HG1      ILE  15 -19.282  15.772  -7.053
  844   2HG1  ILE  15          1HG1      ILE  15 -20.633  16.427  -7.978
  845   1HG2  ILE  15          1HG2      ILE  15 -17.920  17.683  -5.493
  846   2HG2  ILE  15          2HG2      ILE  15 -18.205  19.306  -6.121
  847   3HG2  ILE  15          3HG2      ILE  15 -17.561  18.049  -7.180
  848   1HD1  ILE  15          1HD1      ILE  15 -18.868  17.841  -9.219
  849   2HD1  ILE  15          2HD1      ILE  15 -18.922  16.118  -9.593
  850   3HD1  ILE  15          3HD1      ILE  15 -17.680  16.747  -8.514
  851    H    ASP  16           HN       ASP  16 -19.486  18.430  -3.317
  852    HA   ASP  16           HA       ASP  16 -21.138  20.926  -3.379
  853   1HB   ASP  16          2HB       ASP  16 -19.979  19.204  -1.203
  854   2HB   ASP  16          1HB       ASP  16 -20.387  20.890  -0.876
  855    H    GLU  17           HN       GLU  17 -19.913  22.593  -4.176
  856    HA   GLU  17           HA       GLU  17 -16.955  22.463  -3.827
  857   1HB   GLU  17          2HB       GLU  17 -17.928  22.619  -6.088
  858   2HB   GLU  17          1HB       GLU  17 -18.763  24.105  -5.631
  859   1HG   GLU  17          2HG       GLU  17 -16.592  25.194  -5.194
  860   2HG   GLU  17          1HG       GLU  17 -15.756  23.710  -5.655
  861    H    LYS  18           HN       LYS  18 -16.227  23.609  -2.083
  862    HA   LYS  18           HA       LYS  18 -17.477  26.282  -1.523
  863   1HB   LYS  18          2HB       LYS  18 -15.736  24.766   0.414
  864   2HB   LYS  18          1HB       LYS  18 -17.016  25.926   0.757
  865   1HG   LYS  18          2HG       LYS  18 -18.357  23.906  -0.586
  866   2HG   LYS  18          1HG       LYS  18 -17.181  23.022   0.389
  867   1HD   LYS  18          2HD       LYS  18 -19.035  25.164   1.472
  868   2HD   LYS  18          1HD       LYS  18 -19.338  23.430   1.593
  869   1HE   LYS  18          2HE       LYS  18 -16.832  23.482   2.594
  870   2HE   LYS  18          1HE       LYS  18 -17.366  25.107   3.068
  871   1HZ   LYS  18          1HZ       LYS  18 -18.119  23.681   4.766
  872   2HZ   LYS  18          2HZ       LYS  18 -18.671  22.512   3.663
  873   3HZ   LYS  18          3HZ       LYS  18 -19.487  23.995   3.814
  874    HA   PRO  19           HA       PRO  19 -13.692  27.823  -3.273
  875   1HB   PRO  19          2HB       PRO  19 -13.851  30.266  -1.858
  876   2HB   PRO  19          1HB       PRO  19 -14.479  29.953  -3.486
  877   1HG   PRO  19          2HG       PRO  19 -15.900  29.986  -0.886
  878   2HG   PRO  19          1HG       PRO  19 -16.480  30.427  -2.500
  879   1HD   PRO  19          2HD       PRO  19 -17.214  28.133  -1.309
  880   2HD   PRO  19          1HD       PRO  19 -16.966  28.237  -3.068
  881    H    ASN  20           HN       ASN  20 -14.474  27.577   0.113
  882    HA   ASN  20           HA       ASN  20 -11.726  28.032   1.070
  883   1HB   ASN  20          2HB       ASN  20 -14.022  26.649   2.477
  884   2HB   ASN  20          1HB       ASN  20 -12.701  27.567   3.201
  885   1HD2  ASN  20          1HD2      ASN  20 -15.928  27.797   2.099
  886   2HD2  ASN  20          2HD2      ASN  20 -16.056  29.488   2.094
  887    H    PHE  21           HN       PHE  21 -13.892  25.264   0.477
  888    HA   PHE  21           HA       PHE  21 -11.561  23.480   0.104
  889   1HB   PHE  21          2HB       PHE  21 -13.644  23.070   2.276
  890   2HB   PHE  21          1HB       PHE  21 -12.305  21.982   1.913
  891    HD1  PHE  21           HD1      PHE  21  -9.946  22.725   2.272
  892    HD2  PHE  21           HD2      PHE  21 -13.305  25.097   3.525
  893    HE1  PHE  21           HE1      PHE  21  -8.454  24.066   3.734
  894    HE2  PHE  21           HE2      PHE  21 -11.814  26.438   4.987
  895    HZ   PHE  21           HZ       PHE  21  -9.388  25.923   5.091
  896    H    ARG  22           HN       ARG  22 -12.173  21.542  -1.037
  897    HA   ARG  22           HA       ARG  22 -14.811  21.722  -2.362
  898   1HB   ARG  22          2HB       ARG  22 -12.686  21.378  -3.620
  899   2HB   ARG  22          1HB       ARG  22 -12.479  19.839  -2.788
  900   1HG   ARG  22          2HG       ARG  22 -14.593  19.020  -3.722
  901   2HG   ARG  22          1HG       ARG  22 -14.852  20.569  -4.525
  902   1HD   ARG  22          2HD       ARG  22 -12.791  20.238  -5.849
  903   2HD   ARG  22          1HD       ARG  22 -12.533  18.673  -5.051
  904    HE   ARG  22           HE       ARG  22 -15.097  18.416  -5.946
  905   1HH1  ARG  22          1HH1      ARG  22 -12.165  19.488  -7.431
  906   2HH1  ARG  22          2HH1      ARG  22 -12.639  18.987  -9.019
  907   1HH2  ARG  22          1HH2      ARG  22 -15.719  17.760  -8.012
  908   2HH2  ARG  22          2HH2      ARG  22 -14.644  18.010  -9.348
  909    H    THR  23           HN       THR  23 -16.381  20.141  -2.200
  910    HA   THR  23           HA       THR  23 -15.965  18.017  -0.120
  911    HB   THR  23           HB       THR  23 -18.340  19.837  -0.659
  912    HG1  THR  23           HG1      THR  23 -16.227  19.812   1.167
  913   1HG2  THR  23          1HG2      THR  23 -19.468  18.742   1.119
  914   2HG2  THR  23          2HG2      THR  23 -18.002  17.917   1.650
  915   3HG2  THR  23          3HG2      THR  23 -18.792  17.433   0.149
  916    H    HIS  24           HN       HIS  24 -16.761  15.978  -0.731
  917    HA   HIS  24           HA       HIS  24 -18.437  15.900  -3.216
  918   1HB   HIS  24          2HB       HIS  24 -15.811  14.802  -2.598
  919   2HB   HIS  24          1HB       HIS  24 -16.938  13.561  -3.153
  920    HD1  HIS  24           HD1      HIS  24 -14.515  15.525  -4.631
  921    HD2  HIS  24           HD2      HIS  24 -18.586  15.134  -5.437
  922    HE1  HIS  24           HE1      HIS  24 -14.871  16.381  -6.991
  923    H    VAL  25           HN       VAL  25 -20.166  14.481  -3.156
  924    HA   VAL  25           HA       VAL  25 -20.514  12.931  -0.613
  925    HB   VAL  25           HB       VAL  25 -22.635  14.109  -2.399
  926   1HG1  VAL  25          1HG1      VAL  25 -22.544  12.881   0.336
  927   2HG1  VAL  25          2HG1      VAL  25 -23.678  12.580  -0.981
  928   3HG1  VAL  25          3HG1      VAL  25 -23.792  14.069  -0.042
  929   1HG2  VAL  25          1HG2      VAL  25 -21.550  16.063  -1.748
  930   2HG2  VAL  25          2HG2      VAL  25 -20.968  15.354  -0.241
  931   3HG2  VAL  25          3HG2      VAL  25 -22.657  15.838  -0.394
  932    H    VAL  26           HN       VAL  26 -20.960  10.816  -0.798
  933    HA   VAL  26           HA       VAL  26 -21.462   9.710  -3.537
  934    HB   VAL  26           HB       VAL  26 -20.114   7.821  -2.780
  935   1HG1  VAL  26          1HG1      VAL  26 -19.021  10.070  -3.465
  936   2HG1  VAL  26          2HG1      VAL  26 -18.005   8.890  -2.637
  937   3HG1  VAL  26          3HG1      VAL  26 -18.665  10.262  -1.748
  938   1HG2  VAL  26          1HG2      VAL  26 -19.084   7.970  -0.448
  939   2HG2  VAL  26          2HG2      VAL  26 -20.806   7.596  -0.497
  940   3HG2  VAL  26          3HG2      VAL  26 -20.270   9.229  -0.103
  941    H    GLU  27           HN       GLU  27 -22.579   7.484  -3.381
  942    HA   GLU  27           HA       GLU  27 -24.819   7.629  -1.418
  943   1HB   GLU  27          2HB       GLU  27 -24.767   7.478  -4.115
  944   2HB   GLU  27          1HB       GLU  27 -24.700   5.764  -3.723
  945   1HG   GLU  27          2HG       GLU  27 -26.773   5.829  -2.574
  946   2HG   GLU  27          1HG       GLU  27 -26.764   7.590  -2.496
  947    H    LEU  28           HN       LEU  28 -24.525   6.296   0.314
  948    HA   LEU  28           HA       LEU  28 -22.488   4.220   0.264
  949   1HB   LEU  28          2HB       LEU  28 -23.373   5.944   2.085
  950   2HB   LEU  28          1HB       LEU  28 -24.454   4.612   2.484
  951    HG   LEU  28           HG       LEU  28 -22.548   3.117   2.822
  952   1HD1  LEU  28          1HD1      LEU  28 -21.009   5.508   1.804
  953   2HD1  LEU  28          2HD1      LEU  28 -20.941   3.843   1.234
  954   3HD1  LEU  28          3HD1      LEU  28 -20.229   4.271   2.786
  955   1HD2  LEU  28          1HD2      LEU  28 -21.559   4.197   4.786
  956   2HD2  LEU  28          2HD2      LEU  28 -23.276   4.588   4.705
  957   3HD2  LEU  28          3HD2      LEU  28 -22.077   5.779   4.204
  958    HA   PRO  29           HA       PRO  29 -25.278   0.996  -0.986
  959   1HB   PRO  29          2HB       PRO  29 -23.607  -1.097  -0.387
  960   2HB   PRO  29          1HB       PRO  29 -23.493  -0.133  -1.868
  961   1HG   PRO  29          2HG       PRO  29 -21.869   0.014   0.613
  962   2HG   PRO  29          1HG       PRO  29 -21.384   0.250  -1.073
  963   1HD   PRO  29          2HD       PRO  29 -21.781   2.294   0.673
  964   2HD   PRO  29          1HD       PRO  29 -22.009   2.451  -1.081
  965    H    ASP  30           HN       ASP  30 -26.023  -1.176   0.069
  966    HA   ASP  30           HA       ASP  30 -27.296  -0.570   2.507
  967   1HB   ASP  30          2HB       ASP  30 -28.020  -2.246   0.857
  968   2HB   ASP  30          1HB       ASP  30 -26.625  -3.250   1.254
  969    H    HIS  31           HN       HIS  31 -24.301  -2.460   1.968
  970    HA   HIS  31           HA       HIS  31 -24.156  -3.080   4.838
  971   1HB   HIS  31          2HB       HIS  31 -22.285  -4.481   4.148
  972   2HB   HIS  31          1HB       HIS  31 -23.618  -4.700   3.021
  973    HD1  HIS  31           HD1      HIS  31 -22.634  -1.624   1.877
  974    HD2  HIS  31           HD2      HIS  31 -20.699  -5.313   1.802
  975    HE1  HIS  31           HE1      HIS  31 -20.917  -1.499   0.017
  976    H    MET  32           HN       MET  32 -23.340  -0.392   3.107
  977    HA   MET  32           HA       MET  32 -21.113   0.263   5.012
  978   1HB   MET  32          2HB       MET  32 -21.871   1.375   2.294
  979   2HB   MET  32          1HB       MET  32 -20.640   2.097   3.331
  980   1HG   MET  32          2HG       MET  32 -20.613  -0.748   2.287
  981   2HG   MET  32          1HG       MET  32 -19.616   0.574   1.680
  982   1HE   MET  32          1HE       MET  32 -17.652   1.623   2.829
  983   2HE   MET  32          2HE       MET  32 -17.286   1.475   4.547
  984   3HE   MET  32          3HE       MET  32 -18.797   2.226   4.037
  985    H    LEU  33           HN       LEU  33 -24.367   0.840   4.075
  986    HA   LEU  33           HA       LEU  33 -24.722   3.506   5.151
  987   1HB   LEU  33          2HB       LEU  33 -26.453   1.144   4.445
  988   2HB   LEU  33          1HB       LEU  33 -27.157   2.556   5.235
  989    HG   LEU  33           HG       LEU  33 -25.452   2.806   2.747
  990   1HD1  LEU  33          1HD1      LEU  33 -28.036   3.204   1.920
  991   2HD1  LEU  33          2HD1      LEU  33 -28.233   1.866   3.052
  992   3HD1  LEU  33          3HD1      LEU  33 -27.135   1.707   1.680
  993   1HD2  LEU  33          1HD2      LEU  33 -26.306   4.993   2.653
  994   2HD2  LEU  33          2HD2      LEU  33 -26.044   4.742   4.379
  995   3HD2  LEU  33          3HD2      LEU  33 -27.668   4.604   3.705
  996    H    ASP  34           HN       ASP  34 -24.842   0.236   6.505
  997    HA   ASP  34           HA       ASP  34 -25.771   1.226   9.131
  998   1HB   ASP  34          2HB       ASP  34 -26.585  -0.886   8.144
  999   2HB   ASP  34          1HB       ASP  34 -24.934  -1.504   8.098
 1000    H    GLY  35           HN       GLY  35 -24.198   2.204  10.380
 1001   1HA   GLY  35          2HA       GLY  35 -22.355   1.518  11.938
 1002   2HA   GLY  35          1HA       GLY  35 -21.548   0.817  10.537
 1003    H    LEU  36           HN       LEU  36 -21.592   2.731   8.638
 1004    HA   LEU  36           HA       LEU  36 -19.490   4.440   9.412
 1005   1HB   LEU  36          2HB       LEU  36 -20.205   3.700   7.103
 1006   2HB   LEU  36          1HB       LEU  36 -21.490   4.906   7.183
 1007    HG   LEU  36           HG       LEU  36 -18.686   5.764   7.792
 1008   1HD1  LEU  36          1HD1      LEU  36 -19.421   6.108   4.986
 1009   2HD1  LEU  36          2HD1      LEU  36 -19.254   4.409   5.429
 1010   3HD1  LEU  36          3HD1      LEU  36 -17.911   5.523   5.684
 1011   1HD2  LEU  36          1HD2      LEU  36 -19.610   7.820   7.603
 1012   2HD2  LEU  36          2HD2      LEU  36 -21.175   7.006   7.577
 1013   3HD2  LEU  36          3HD2      LEU  36 -20.367   7.411   6.063
 1014    H    GLU  37           HN       GLU  37 -19.398   6.657   9.935
 1015    HA   GLU  37           HA       GLU  37 -21.961   8.107  10.407
 1016   1HB   GLU  37          2HB       GLU  37 -21.296   8.567  12.700
 1017   2HB   GLU  37          1HB       GLU  37 -21.203   6.823  12.450
 1018   1HG   GLU  37          2HG       GLU  37 -18.778   7.010  12.030
 1019   2HG   GLU  37          1HG       GLU  37 -18.868   8.753  12.283
 1020    H    THR  38           HN       THR  38 -21.465  10.481  10.886
 1021    HA   THR  38           HA       THR  38 -19.557  11.528   8.982
 1022    HB   THR  38           HB       THR  38 -20.275  13.568  10.718
 1023    HG1  THR  38           HG1      THR  38 -21.772  12.718  11.908
 1024   1HG2  THR  38          1HG2      THR  38 -20.649  14.043   8.507
 1025   2HG2  THR  38          2HG2      THR  38 -22.303  13.648   8.978
 1026   3HG2  THR  38          3HG2      THR  38 -21.304  12.441   8.167
 1027    H    GLY  39           HN       GLY  39 -17.629  12.782   9.492
 1028   1HA   GLY  39          2HA       GLY  39 -15.680  13.301  10.712
 1029   2HA   GLY  39          1HA       GLY  39 -16.495  12.776  12.180
 1030    H    ALA  40           HN       ALA  40 -16.961  10.356   9.983
 1031    HA   ALA  40           HA       ALA  40 -14.922   8.615  11.182
 1032   1HB   ALA  40          1HB       ALA  40 -16.020   7.048   9.433
 1033   2HB   ALA  40          2HB       ALA  40 -17.116   8.394   9.112
 1034   3HB   ALA  40          3HB       ALA  40 -17.059   7.665  10.718
 1035    H    SER  41           HN       SER  41 -13.305   7.485   9.776
 1036    HA   SER  41           HA       SER  41 -12.358   9.272   7.584
 1037   1HB   SER  41          2HB       SER  41 -10.420   7.418   7.902
 1038   2HB   SER  41          1HB       SER  41 -10.534   8.852   8.914
 1039    HG   SER  41           HG       SER  41 -11.235   7.664  10.536
 1040    H    VAL  42           HN       VAL  42 -13.210   8.706   5.634
 1041    HA   VAL  42           HA       VAL  42 -13.566   5.806   4.996
 1042    HB   VAL  42           HB       VAL  42 -14.833   8.383   4.206
 1043   1HG1  VAL  42          1HG1      VAL  42 -14.053   6.318   2.227
 1044   2HG1  VAL  42          2HG1      VAL  42 -14.376   8.036   1.997
 1045   3HG1  VAL  42          3HG1      VAL  42 -15.716   6.899   2.145
 1046   1HG2  VAL  42          1HG2      VAL  42 -15.595   6.020   5.431
 1047   2HG2  VAL  42          2HG2      VAL  42 -16.254   5.874   3.800
 1048   3HG2  VAL  42          3HG2      VAL  42 -16.693   7.254   4.808
 1049    H    ALA  43           HN       ALA  43 -12.058   4.886   3.683
 1050    HA   ALA  43           HA       ALA  43 -10.137   6.638   2.238
 1051   1HB   ALA  43          1HB       ALA  43 -10.165   3.624   2.301
 1052   2HB   ALA  43          2HB       ALA  43  -9.600   4.539   3.698
 1053   3HB   ALA  43          3HB       ALA  43  -8.784   4.708   2.144
 1054    H    HIS  44           HN       HIS  44 -10.698   7.162   0.168
 1055    HA   HIS  44           HA       HIS  44 -12.678   5.507  -1.295
 1056   1HB   HIS  44          2HB       HIS  44 -11.424   8.223  -1.524
 1057   2HB   HIS  44          1HB       HIS  44 -12.080   7.489  -2.985
 1058    HD1  HIS  44           HD1      HIS  44 -13.544   7.208   0.536
 1059    HD2  HIS  44           HD2      HIS  44 -14.487   8.860  -3.186
 1060    HE1  HIS  44           HE1      HIS  44 -15.918   8.085   0.710
 1061    HE2  HIS  44           HE2      HIS  44 -16.493   9.087  -1.542
 1062    H    ASN  45           HN       ASN  45 -11.753   3.738  -2.146
 1063    HA   ASN  45           HA       ASN  45 -10.226   2.304  -3.180
 1064   1HB   ASN  45          2HB       ASN  45 -10.591   4.387  -4.856
 1065   2HB   ASN  45          1HB       ASN  45  -8.863   4.571  -4.539
 1066   1HD2  ASN  45          1HD2      ASN  45 -11.238   2.628  -6.188
 1067   2HD2  ASN  45          2HD2      ASN  45 -10.171   1.472  -6.808
 1068    H    GLY  46           HN       GLY  46  -9.510   4.179  -0.732
 1069   1HA   GLY  46          2HA       GLY  46  -7.723   3.286   0.686
 1070   2HA   GLY  46          1HA       GLY  46  -6.682   3.256  -0.732
 1071    H    CYS  47           HN       CYS  47  -8.412   6.141  -0.835
 1072    HA   CYS  47           HA       CYS  47  -6.130   7.597   0.448
 1073   1HB   CYS  47          2HB       CYS  47  -6.871   8.067  -1.946
 1074   2HB   CYS  47          1HB       CYS  47  -8.386   8.670  -1.276
 1075    HG   CYS  47           HG       CYS  47  -6.235  10.472  -1.583
 1076    H    CYS  48           HN       CYS  48  -6.577   7.966   2.597
 1077    HA   CYS  48           HA       CYS  48  -9.268   7.792   3.612
 1078   1HB   CYS  48          2HB       CYS  48  -8.105   8.231   5.772
 1079   2HB   CYS  48          1HB       CYS  48  -7.277   7.007   4.807
 1080    HG   CYS  48           HG       CYS  48  -6.074   9.654   4.124
 1081    H    LEU  49           HN       LEU  49 -10.732   9.382   3.806
 1082    HA   LEU  49           HA       LEU  49  -9.787  12.118   4.496
 1083   1HB   LEU  49          2HB       LEU  49 -11.790  12.897   3.005
 1084   2HB   LEU  49          1HB       LEU  49 -10.283  12.442   2.214
 1085    HG   LEU  49           HG       LEU  49 -12.382  10.346   2.689
 1086   1HD1  LEU  49          1HD1      LEU  49 -13.031  12.684   1.393
 1087   2HD1  LEU  49          2HD1      LEU  49 -13.790  11.121   1.075
 1088   3HD1  LEU  49          3HD1      LEU  49 -12.457  11.680   0.062
 1089   1HD2  LEU  49          1HD2      LEU  49  -9.867  10.276   1.626
 1090   2HD2  LEU  49          2HD2      LEU  49 -10.824  10.562   0.173
 1091   3HD2  LEU  49          3HD2      LEU  49 -11.144   9.146   1.175
 1092    H    THR  50           HN       THR  50 -11.758  13.386   5.428
 1093    HA   THR  50           HA       THR  50 -13.175  11.491   7.235
 1094    HB   THR  50           HB       THR  50 -12.787  14.498   7.392
 1095    HG1  THR  50           HG1      THR  50 -10.822  13.941   7.824
 1096   1HG2  THR  50          1HG2      THR  50 -13.165  12.800   9.802
 1097   2HG2  THR  50          2HG2      THR  50 -14.583  13.016   8.776
 1098   3HG2  THR  50          3HG2      THR  50 -13.768  14.421   9.462
 1099    H    VAL  51           HN       VAL  51 -15.425  11.697   7.636
 1100    HA   VAL  51           HA       VAL  51 -17.032  12.521   5.343
 1101    HB   VAL  51           HB       VAL  51 -17.865  11.648   8.127
 1102   1HG1  VAL  51          1HG1      VAL  51 -19.690  10.568   6.585
 1103   2HG1  VAL  51          2HG1      VAL  51 -19.186  11.818   5.448
 1104   3HG1  VAL  51          3HG1      VAL  51 -19.813  12.269   7.034
 1105   1HG2  VAL  51          1HG2      VAL  51 -16.935   9.661   7.727
 1106   2HG2  VAL  51          2HG2      VAL  51 -16.308  10.251   6.188
 1107   3HG2  VAL  51          3HG2      VAL  51 -17.905   9.506   6.262
 1108    H    THR  52           HN       THR  52 -17.434  14.697   5.068
 1109    HA   THR  52           HA       THR  52 -17.453  16.641   7.221
 1110    HB   THR  52           HB       THR  52 -18.179  18.132   5.438
 1111    HG1  THR  52           HG1      THR  52 -19.454  17.396   3.963
 1112   1HG2  THR  52          1HG2      THR  52 -16.437  16.066   4.104
 1113   2HG2  THR  52          2HG2      THR  52 -15.839  17.077   5.419
 1114   3HG2  THR  52          3HG2      THR  52 -16.392  17.819   3.917
 1115    H    GLU  53           HN       GLU  53 -19.960  14.868   5.416
 1116    HA   GLU  53           HA       GLU  53 -21.853  15.181   7.641
 1117   1HB   GLU  53          2HB       GLU  53 -21.901  17.395   6.560
 1118   2HB   GLU  53          1HB       GLU  53 -22.254  16.634   5.008
 1119   1HG   GLU  53          2HG       GLU  53 -24.352  15.720   5.927
 1120   2HG   GLU  53          1HG       GLU  53 -24.004  16.481   7.481
 1121    H    ILE  54           HN       ILE  54 -23.712  13.851   7.358
 1122    HA   ILE  54           HA       ILE  54 -23.623  12.007   4.987
 1123    HB   ILE  54           HB       ILE  54 -24.748  11.768   7.799
 1124   1HG1  ILE  54          2HG1      ILE  54 -22.891   9.779   6.639
 1125   2HG1  ILE  54          1HG1      ILE  54 -22.200  11.378   6.908
 1126   1HG2  ILE  54          1HG2      ILE  54 -26.235  10.319   6.902
 1127   2HG2  ILE  54          2HG2      ILE  54 -24.859   9.278   6.535
 1128   3HG2  ILE  54          3HG2      ILE  54 -25.460  10.406   5.320
 1129   1HD1  ILE  54          1HD1      ILE  54 -22.366   9.444   8.835
 1130   2HD1  ILE  54          2HD1      ILE  54 -23.850  10.350   9.136
 1131   3HD1  ILE  54          3HD1      ILE  54 -22.290  11.174   9.181
 1132    H    ASN  55           HN       ASN  55 -25.261  12.118   3.577
 1133    HA   ASN  55           HA       ASN  55 -27.604  13.855   4.263
 1134   1HB   ASN  55          2HB       ASN  55 -26.190  13.025   1.727
 1135   2HB   ASN  55          1HB       ASN  55 -27.808  13.728   1.673
 1136   1HD2  ASN  55          1HD2      ASN  55 -24.441  14.467   1.999
 1137   2HD2  ASN  55          2HD2      ASN  55 -24.615  16.124   2.323
 1138    H    GLY  56           HN       GLY  56 -28.126  11.675   5.507
 1139   1HA   GLY  56          2HA       GLY  56 -29.711   9.903   5.603
 1140   2HA   GLY  56          1HA       GLY  56 -30.039  10.140   3.883
 1141    H    ASN  57           HN       ASN  57 -29.262   8.548   2.573
 1142    HA   ASN  57           HA       ASN  57 -27.299   6.640   3.619
 1143   1HB   ASN  57          2HB       ASN  57 -28.233   5.300   2.042
 1144   2HB   ASN  57          1HB       ASN  57 -29.393   6.591   1.824
 1145   1HD2  ASN  57          1HD2      ASN  57 -26.156   5.655   0.746
 1146   2HD2  ASN  57          2HD2      ASN  57 -26.301   6.247  -0.837
 1147    H    HIS  58           HN       HIS  58 -27.311   9.551   1.736
 1148    HA   HIS  58           HA       HIS  58 -24.843   9.084   0.289
 1149   1HB   HIS  58          2HB       HIS  58 -26.639  11.397   0.927
 1150   2HB   HIS  58          1HB       HIS  58 -25.067  11.709   0.200
 1151    HD1  HIS  58           HD1      HIS  58 -28.251  11.612  -1.002
 1152    HD2  HIS  58           HD2      HIS  58 -24.901   9.347  -2.043
 1153    HE1  HIS  58           HE1      HIS  58 -28.664  10.744  -3.344
 1154    H    VAL  59           HN       VAL  59 -22.811  10.241   0.706
 1155    HA   VAL  59           HA       VAL  59 -22.562  11.386   3.434
 1156    HB   VAL  59           HB       VAL  59 -20.931   9.119   2.266
 1157   1HG1  VAL  59          1HG1      VAL  59 -19.497  10.738   3.460
 1158   2HG1  VAL  59          2HG1      VAL  59 -19.654   9.236   4.373
 1159   3HG1  VAL  59          3HG1      VAL  59 -20.583  10.657   4.845
 1160   1HG2  VAL  59          1HG2      VAL  59 -21.791   8.362   4.735
 1161   2HG2  VAL  59          2HG2      VAL  59 -22.693   8.034   3.255
 1162   3HG2  VAL  59          3HG2      VAL  59 -23.115   9.428   4.254
 1163    H    SER  60           HN       SER  60 -21.673  13.349   3.163
 1164    HA   SER  60           HA       SER  60 -20.080  14.025   0.762
 1165   1HB   SER  60          2HB       SER  60 -20.891  15.631   3.204
 1166   2HB   SER  60          1HB       SER  60 -20.293  16.285   1.683
 1167    HG   SER  60           HG       SER  60 -22.773  15.767   2.322
 1168    H    PHE  61           HN       PHE  61 -17.823  13.974   0.796
 1169    HA   PHE  61           HA       PHE  61 -16.511  13.884   3.504
 1170   1HB   PHE  61          2HB       PHE  61 -15.647  12.816   0.790
 1171   2HB   PHE  61          1HB       PHE  61 -14.683  12.705   2.260
 1172    HD1  PHE  61           HD1      PHE  61 -17.689  11.491   0.509
 1173    HD2  PHE  61           HD2      PHE  61 -15.315  11.205   4.082
 1174    HE1  PHE  61           HE1      PHE  61 -18.882   9.407   1.137
 1175    HE2  PHE  61           HE2      PHE  61 -16.509   9.121   4.708
 1176    HZ   PHE  61           HZ       PHE  61 -18.291   8.222   3.235
 1177    H    ASP  62           HN       ASP  62 -14.395  15.050   3.618
 1178    HA   ASP  62           HA       ASP  62 -14.507  17.560   2.040
 1179   1HB   ASP  62          2HB       ASP  62 -12.862  18.301   3.762
 1180   2HB   ASP  62          1HB       ASP  62 -14.320  17.638   4.492
 1181    H    LEU  63           HN       LEU  63 -12.847  18.345   0.812
 1182    HA   LEU  63           HA       LEU  63 -10.424  16.695   0.343
 1183   1HB   LEU  63          2HB       LEU  63 -12.892  16.579  -1.128
 1184   2HB   LEU  63          1HB       LEU  63 -11.649  17.254  -2.167
 1185    HG   LEU  63           HG       LEU  63 -10.542  15.044  -0.700
 1186   1HD1  LEU  63          1HD1      LEU  63 -13.310  14.746  -1.182
 1187   2HD1  LEU  63          2HD1      LEU  63 -12.167  13.481  -0.717
 1188   3HD1  LEU  63          3HD1      LEU  63 -12.498  13.784  -2.423
 1189   1HD2  LEU  63          1HD2      LEU  63 -11.262  15.021  -3.632
 1190   2HD2  LEU  63          2HD2      LEU  63  -9.825  14.363  -2.851
 1191   3HD2  LEU  63          3HD2      LEU  63 -10.008  16.106  -3.037
 1192    H    MET  64           HN       MET  64  -8.857  18.331   0.395
 1193    HA   MET  64           HA       MET  64  -9.490  21.099  -0.240
 1194   1HB   MET  64          2HB       MET  64  -7.688  20.225   1.319
 1195   2HB   MET  64          1HB       MET  64  -6.785  19.736  -0.111
 1196   1HG   MET  64          2HG       MET  64  -6.927  22.114  -0.928
 1197   2HG   MET  64          1HG       MET  64  -7.625  22.546   0.633
 1198   1HE   MET  64          1HE       MET  64  -6.736  21.256   2.628
 1199   2HE   MET  64          2HE       MET  64  -5.913  22.767   3.007
 1200   3HE   MET  64          3HE       MET  64  -5.032  21.244   3.105
 1201    H    LYS  65           HN       LYS  65  -9.200  22.165  -2.211
 1202    HA   LYS  65           HA       LYS  65  -9.294  20.696  -4.628
 1203   1HB   LYS  65          2HB       LYS  65 -10.075  23.014  -4.296
 1204   2HB   LYS  65          1HB       LYS  65  -8.407  23.548  -4.080
 1205   1HG   LYS  65          2HG       LYS  65  -7.862  22.790  -6.363
 1206   2HG   LYS  65          1HG       LYS  65  -9.531  22.258  -6.585
 1207   1HD   LYS  65          2HD       LYS  65 -10.318  24.573  -6.230
 1208   2HD   LYS  65          1HD       LYS  65  -8.650  25.106  -6.017
 1209   1HE   LYS  65          2HE       LYS  65  -8.723  23.631  -8.449
 1210   2HE   LYS  65          1HE       LYS  65 -10.093  24.759  -8.479
 1211   1HZ   LYS  65          1HZ       LYS  65  -8.102  25.882  -9.226
 1212   2HZ   LYS  65          2HZ       LYS  65  -7.275  25.434  -7.811
 1213   3HZ   LYS  65          3HZ       LYS  65  -8.581  26.517  -7.729
 1214    H    GLU  66           HN       GLU  66  -6.525  22.315  -3.046
 1215    HA   GLU  66           HA       GLU  66  -4.635  21.608  -5.121
 1216   1HB   GLU  66          2HB       GLU  66  -4.340  23.460  -3.507
 1217   2HB   GLU  66          1HB       GLU  66  -4.290  22.299  -2.180
 1218   1HG   GLU  66          2HG       GLU  66  -2.282  21.255  -3.163
 1219   2HG   GLU  66          1HG       GLU  66  -2.327  22.418  -4.488
 1220    H    THR  67           HN       THR  67  -5.595  20.111  -2.031
 1221    HA   THR  67           HA       THR  67  -3.784  17.864  -2.143
 1222    HB   THR  67           HB       THR  67  -6.591  18.139  -1.013
 1223    HG1  THR  67           HG1      THR  67  -4.889  19.617  -0.278
 1224   1HG2  THR  67          1HG2      THR  67  -6.248  15.868  -0.867
 1225   2HG2  THR  67          2HG2      THR  67  -5.401  16.369   0.596
 1226   3HG2  THR  67          3HG2      THR  67  -4.491  16.027  -0.876
 1227    H    LEU  68           HN       LEU  68  -6.941  18.572  -3.588
 1228    HA   LEU  68           HA       LEU  68  -7.590  15.987  -4.564
 1229   1HB   LEU  68          2HB       LEU  68  -8.979  18.096  -4.430
 1230   2HB   LEU  68          1HB       LEU  68  -8.073  18.711  -5.809
 1231    HG   LEU  68           HG       LEU  68  -8.782  16.654  -7.086
 1232   1HD1  LEU  68          1HD1      LEU  68  -9.345  15.391  -4.934
 1233   2HD1  LEU  68          2HD1      LEU  68 -10.551  15.283  -6.214
 1234   3HD1  LEU  68          3HD1      LEU  68 -10.807  16.372  -4.852
 1235   1HD2  LEU  68          1HD2      LEU  68 -11.383  17.656  -6.661
 1236   2HD2  LEU  68          2HD2      LEU  68 -10.223  18.199  -7.875
 1237   3HD2  LEU  68          3HD2      LEU  68 -10.290  18.994  -6.301
 1238    H    ARG  69           HN       ARG  69  -5.679  18.641  -5.999
 1239    HA   ARG  69           HA       ARG  69  -4.930  17.183  -8.409
 1240   1HB   ARG  69          2HB       ARG  69  -4.880  19.587  -8.356
 1241   2HB   ARG  69          1HB       ARG  69  -3.867  19.592  -6.912
 1242   1HG   ARG  69          2HG       ARG  69  -2.041  18.530  -8.185
 1243   2HG   ARG  69          1HG       ARG  69  -3.051  18.529  -9.632
 1244   1HD   ARG  69          2HD       ARG  69  -3.175  20.991  -9.566
 1245   2HD   ARG  69          1HD       ARG  69  -2.171  21.003  -8.103
 1246    HE   ARG  69           HE       ARG  69  -0.292  20.521  -9.456
 1247   1HH1  ARG  69          1HH1      ARG  69  -3.258  19.810 -11.082
 1248   2HH1  ARG  69          2HH1      ARG  69  -2.489  19.431 -12.586
 1249   1HH2  ARG  69          1HH2      ARG  69   0.716  20.027 -11.411
 1250   2HH2  ARG  69          2HH2      ARG  69  -0.243  19.553 -12.773
 1251    H    ILE  70           HN       ILE  70  -3.438  17.715  -5.208
 1252    HA   ILE  70           HA       ILE  70  -0.907  16.551  -5.774
 1253    HB   ILE  70           HB       ILE  70  -2.209  17.835  -3.720
 1254   1HG1  ILE  70          2HG1      ILE  70   0.396  16.359  -3.352
 1255   2HG1  ILE  70          1HG1      ILE  70   0.245  17.768  -4.404
 1256   1HG2  ILE  70          1HG2      ILE  70  -1.919  16.403  -1.708
 1257   2HG2  ILE  70          2HG2      ILE  70  -1.558  15.035  -2.761
 1258   3HG2  ILE  70          3HG2      ILE  70  -3.156  15.775  -2.795
 1259   1HD1  ILE  70          1HD1      ILE  70   0.518  17.693  -1.540
 1260   2HD1  ILE  70          2HD1      ILE  70  -1.024  18.441  -1.958
 1261   3HD1  ILE  70          3HD1      ILE  70   0.480  19.098  -2.606
 1262    H    THR  71           HN       THR  71  -3.913  15.178  -4.538
 1263    HA   THR  71           HA       THR  71  -2.840  12.421  -4.619
 1264    HB   THR  71           HB       THR  71  -4.914  11.884  -3.540
 1265    HG1  THR  71           HG1      THR  71  -5.793  14.443  -4.387
 1266   1HG2  THR  71          1HG2      THR  71  -3.260  13.914  -2.567
 1267   2HG2  THR  71          2HG2      THR  71  -4.433  12.980  -1.636
 1268   3HG2  THR  71          3HG2      THR  71  -4.896  14.530  -2.339
 1269    H    ASN  72           HN       ASN  72  -4.788  10.942  -5.641
 1270    HA   ASN  72           HA       ASN  72  -5.315  12.025  -8.372
 1271   1HB   ASN  72          2HB       ASN  72  -4.154  10.024  -8.628
 1272   2HB   ASN  72          1HB       ASN  72  -4.797   9.341  -7.143
 1273   1HD2  ASN  72          1HD2      ASN  72  -5.750   7.420  -7.933
 1274   2HD2  ASN  72          2HD2      ASN  72  -6.956   7.388  -9.127
 1275    H    LEU  73           HN       LEU  73  -6.725  12.533  -5.690
 1276    HA   LEU  73           HA       LEU  73  -9.317  11.232  -5.811
 1277   1HB   LEU  73          2HB       LEU  73  -8.255  13.798  -4.590
 1278   2HB   LEU  73          1HB       LEU  73  -9.888  13.195  -4.308
 1279    HG   LEU  73           HG       LEU  73  -7.322  11.692  -3.673
 1280   1HD1  LEU  73          1HD1      LEU  73  -8.158  13.751  -2.251
 1281   2HD1  LEU  73          2HD1      LEU  73  -7.635  12.274  -1.442
 1282   3HD1  LEU  73          3HD1      LEU  73  -9.355  12.598  -1.660
 1283   1HD2  LEU  73          1HD2      LEU  73 -10.136  10.899  -3.923
 1284   2HD2  LEU  73          2HD2      LEU  73  -9.456  10.513  -2.342
 1285   3HD2  LEU  73          3HD2      LEU  73  -8.693   9.891  -3.806
 1286    H    GLY  74           HN       GLY  74  -8.001  14.296  -7.114
 1287   1HA   GLY  74          2HA       GLY  74 -10.271  15.560  -8.030
 1288   2HA   GLY  74          1HA       GLY  74  -8.764  15.566  -8.936
 1289    H    ASP  75           HN       ASP  75  -8.981  12.534  -9.178
 1290    HA   ASP  75           HA       ASP  75 -10.122  12.495 -11.792
 1291   1HB   ASP  75          2HB       ASP  75  -9.613  10.130 -11.662
 1292   2HB   ASP  75          1HB       ASP  75  -8.358  10.998 -10.779
 1293    H    LEU  76           HN       LEU  76 -11.586  12.114  -8.666
 1294    HA   LEU  76           HA       LEU  76 -13.758  10.392  -9.270
 1295   1HB   LEU  76          2HB       LEU  76 -13.516  12.743  -7.383
 1296   2HB   LEU  76          1HB       LEU  76 -14.799  11.541  -7.306
 1297    HG   LEU  76           HG       LEU  76 -11.851  10.859  -7.159
 1298   1HD1  LEU  76          1HD1      LEU  76 -11.919  11.581  -5.025
 1299   2HD1  LEU  76          2HD1      LEU  76 -13.125  10.335  -4.701
 1300   3HD1  LEU  76          3HD1      LEU  76 -13.636  11.960  -5.160
 1301   1HD2  LEU  76          1HD2      LEU  76 -14.098   9.301  -7.715
 1302   2HD2  LEU  76          2HD2      LEU  76 -13.813   9.032  -5.995
 1303   3HD2  LEU  76          3HD2      LEU  76 -12.534   8.700  -7.163
 1304    H    LYS  77           HN       LYS  77 -15.796  10.752 -10.079
 1305    HA   LYS  77           HA       LYS  77 -16.677  13.504 -10.744
 1306   1HB   LYS  77          2HB       LYS  77 -16.252  11.248 -12.727
 1307   2HB   LYS  77          1HB       LYS  77 -17.191  12.696 -13.096
 1308   1HG   LYS  77          2HG       LYS  77 -15.226  14.103 -12.593
 1309   2HG   LYS  77          1HG       LYS  77 -14.284  12.658 -12.227
 1310   1HD   LYS  77          2HD       LYS  77 -14.623  11.849 -14.534
 1311   2HD   LYS  77          1HD       LYS  77 -15.562  13.296 -14.903
 1312   1HE   LYS  77          2HE       LYS  77 -13.420  14.570 -14.040
 1313   2HE   LYS  77          1HE       LYS  77 -12.606  13.039 -14.416
 1314   1HZ   LYS  77          1HZ       LYS  77 -12.579  14.091 -16.452
 1315   2HZ   LYS  77          2HZ       LYS  77 -14.085  14.843 -16.215
 1316   3HZ   LYS  77          3HZ       LYS  77 -14.006  13.183 -16.572
 1317    H    VAL  78           HN       VAL  78 -18.925  13.661 -10.562
 1318    HA   VAL  78           HA       VAL  78 -20.304  11.633  -9.149
 1319    HB   VAL  78           HB       VAL  78 -21.499  13.808 -10.888
 1320   1HG1  VAL  78          1HG1      VAL  78 -23.102  13.763  -8.818
 1321   2HG1  VAL  78          2HG1      VAL  78 -22.410  12.160  -8.539
 1322   3HG1  VAL  78          3HG1      VAL  78 -23.260  12.497 -10.047
 1323   1HG2  VAL  78          1HG2      VAL  78 -21.144  14.441  -8.080
 1324   2HG2  VAL  78          2HG2      VAL  78 -20.623  15.348  -9.500
 1325   3HG2  VAL  78          3HG2      VAL  78 -19.596  14.074  -8.842
 1326    H    GLY  79           HN       GLY  79 -22.028  10.247  -9.822
 1327   1HA   GLY  79          2HA       GLY  79 -23.259   8.967 -11.433
 1328   2HA   GLY  79          1HA       GLY  79 -22.315   9.723 -12.719
 1329    H    ASP  80           HN       ASP  80 -19.924   9.179 -10.758
 1330    HA   ASP  80           HA       ASP  80 -19.372   6.419 -11.762
 1331   1HB   ASP  80          2HB       ASP  80 -17.865   8.491 -12.123
 1332   2HB   ASP  80          1HB       ASP  80 -17.484   8.357 -10.408
 1333    H    TRP  81           HN       TRP  81 -18.105   5.046 -10.095
 1334    HA   TRP  81           HA       TRP  81 -19.205   5.532  -7.343
 1335   1HB   TRP  81          2HB       TRP  81 -18.710   3.016  -8.945
 1336   2HB   TRP  81          1HB       TRP  81 -18.959   2.977  -7.202
 1337    HD1  TRP  81           HD1      TRP  81 -20.752   4.876 -10.072
 1338    HE1  TRP  81           HE1      TRP  81 -23.287   4.558  -9.766
 1339    HE3  TRP  81           HE3      TRP  81 -20.773   1.887  -5.930
 1340    HZ2  TRP  81           HZ2      TRP  81 -25.094   3.209  -8.004
 1341    HZ3  TRP  81           HZ3      TRP  81 -22.915   1.100  -4.956
 1342    HH2  TRP  81           HH2      TRP  81 -25.073   1.759  -5.989
 1343    H    VAL  82           HN       VAL  82 -17.790   4.505  -5.625
 1344    HA   VAL  82           HA       VAL  82 -14.883   4.650  -6.352
 1345    HB   VAL  82           HB       VAL  82 -15.386   6.703  -5.272
 1346   1HG1  VAL  82          1HG1      VAL  82 -16.649   6.286  -2.886
 1347   2HG1  VAL  82          2HG1      VAL  82 -17.385   5.028  -3.880
 1348   3HG1  VAL  82          3HG1      VAL  82 -17.489   6.718  -4.376
 1349   1HG2  VAL  82          1HG2      VAL  82 -13.964   6.617  -3.477
 1350   2HG2  VAL  82          2HG2      VAL  82 -13.683   4.979  -4.067
 1351   3HG2  VAL  82          3HG2      VAL  82 -14.820   5.258  -2.744
 1352    H    ASN  83           HN       ASN  83 -13.522   3.369  -5.005
 1353    HA   ASN  83           HA       ASN  83 -14.761   1.046  -3.648
 1354   1HB   ASN  83          2HB       ASN  83 -12.200   1.910  -4.764
 1355   2HB   ASN  83          1HB       ASN  83 -11.995   1.148  -3.203
 1356   1HD2  ASN  83          1HD2      ASN  83 -10.932  -0.619  -4.614
 1357   2HD2  ASN  83          2HD2      ASN  83 -11.949  -1.792  -5.300
 1358    H    VAL  84           HN       VAL  84 -15.659   1.666  -1.669
 1359    HA   VAL  84           HA       VAL  84 -14.116   3.654  -0.063
 1360    HB   VAL  84           HB       VAL  84 -16.470   3.565   1.209
 1361   1HG1  VAL  84          1HG1      VAL  84 -16.174   4.958  -1.461
 1362   2HG1  VAL  84          2HG1      VAL  84 -15.306   5.456  -0.007
 1363   3HG1  VAL  84          3HG1      VAL  84 -17.069   5.513  -0.044
 1364   1HG2  VAL  84          1HG2      VAL  84 -18.316   3.073  -0.207
 1365   2HG2  VAL  84          2HG2      VAL  84 -17.218   1.709  -0.419
 1366   3HG2  VAL  84          3HG2      VAL  84 -17.291   2.980  -1.639
 1367    H    GLU  85           HN       GLU  85 -13.400   3.217   1.946
 1368    HA   GLU  85           HA       GLU  85 -14.025   0.541   3.151
 1369   1HB   GLU  85          2HB       GLU  85 -11.928   0.453   1.851
 1370   2HB   GLU  85          1HB       GLU  85 -11.306   1.838   2.750
 1371   1HG   GLU  85          2HG       GLU  85 -11.461   0.545   4.849
 1372   2HG   GLU  85          1HG       GLU  85 -12.078  -0.840   3.948
 1373    H    ARG  86           HN       ARG  86 -14.160   0.591   5.408
 1374    HA   ARG  86           HA       ARG  86 -14.454   3.225   6.623
 1375   1HB   ARG  86          2HB       ARG  86 -15.341   1.922   8.471
 1376   2HB   ARG  86          1HB       ARG  86 -15.915   1.203   6.966
 1377   1HG   ARG  86          2HG       ARG  86 -14.040  -0.437   7.074
 1378   2HG   ARG  86          1HG       ARG  86 -13.570   0.243   8.632
 1379   1HD   ARG  86          2HD       ARG  86 -15.850  -0.308   9.518
 1380   2HD   ARG  86          1HD       ARG  86 -16.208  -1.114   7.977
 1381    HE   ARG  86           HE       ARG  86 -14.740  -2.863   8.603
 1382   1HH1  ARG  86          1HH1      ARG  86 -14.305  -0.043  10.553
 1383   2HH1  ARG  86          2HH1      ARG  86 -13.211  -0.815  11.650
 1384   1HH2  ARG  86          1HH2      ARG  86 -13.314  -3.876  10.029
 1385   2HH2  ARG  86          2HH2      ARG  86 -12.651  -2.980  11.355
 1386    H    ALA  87           HN       ALA  87 -12.977   4.277   7.889
 1387    HA   ALA  87           HA       ALA  87 -10.658   2.716   9.000
 1388   1HB   ALA  87          1HB       ALA  87  -9.197   4.312   8.210
 1389   2HB   ALA  87          2HB       ALA  87 -10.398   5.600   8.288
 1390   3HB   ALA  87          3HB       ALA  87 -10.438   4.437   6.963
 1391    H    ALA  88           HN       ALA  88 -10.069   3.280  11.096
 1392    HA   ALA  88           HA       ALA  88 -11.759   5.330  12.494
 1393   1HB   ALA  88          1HB       ALA  88 -12.690   3.157  12.924
 1394   2HB   ALA  88          2HB       ALA  88 -11.769   3.590  14.366
 1395   3HB   ALA  88          3HB       ALA  88 -11.089   2.463  13.189
 1396    H    LYS  89           HN       LYS  89 -10.661   6.511  14.088
 1397    HA   LYS  89           HA       LYS  89  -7.772   6.577  14.012
 1398   1HB   LYS  89          2HB       LYS  89  -9.803   7.766  15.931
 1399   2HB   LYS  89          1HB       LYS  89  -8.119   8.276  15.788
 1400   1HG   LYS  89          2HG       LYS  89 -10.247   8.434  13.634
 1401   2HG   LYS  89          1HG       LYS  89  -9.497   9.790  14.477
 1402   1HD   LYS  89          2HD       LYS  89  -7.270   9.006  13.574
 1403   2HD   LYS  89          1HD       LYS  89  -8.156   7.849  12.580
 1404   1HE   LYS  89          2HE       LYS  89  -8.179   9.560  11.051
 1405   2HE   LYS  89          1HE       LYS  89  -9.515  10.180  12.042
 1406   1HZ   LYS  89          1HZ       LYS  89  -8.130  11.940  12.261
 1407   2HZ   LYS  89          2HZ       LYS  89  -6.729  11.031  11.945
 1408   3HZ   LYS  89          3HZ       LYS  89  -7.446  10.985  13.485
 1409    H    PHE  90           HN       PHE  90 -10.146   5.295  16.337
 1410    HA   PHE  90           HA       PHE  90  -8.020   3.567  17.489
 1411   1HB   PHE  90          2HB       PHE  90  -8.579   4.352  19.755
 1412   2HB   PHE  90          1HB       PHE  90  -8.067   5.707  18.751
 1413    HD1  PHE  90           HD1      PHE  90  -9.665   7.382  17.964
 1414    HD2  PHE  90           HD2      PHE  90 -10.923   4.078  20.410
 1415    HE1  PHE  90           HE1      PHE  90 -11.831   8.519  18.385
 1416    HE2  PHE  90           HE2      PHE  90 -13.090   5.214  20.830
 1417    HZ   PHE  90           HZ       PHE  90 -13.544   7.434  19.817
 1418    H    SER  91           HN       SER  91  -8.974   1.804  18.795
 1419    HA   SER  91           HA       SER  91 -11.910   1.415  18.511
 1420   1HB   SER  91          2HB       SER  91 -10.823   0.636  16.426
 1421   2HB   SER  91          1HB       SER  91  -9.776  -0.419  17.371
 1422    HG   SER  91           HG       SER  91 -11.388  -1.761  17.654
 1423    H    ASP  92           HN       ASP  92 -12.660  -0.465  19.766
 1424    HA   ASP  92           HA       ASP  92 -11.405  -0.702  22.340
 1425   1HB   ASP  92          2HB       ASP  92 -13.565  -2.231  20.865
 1426   2HB   ASP  92          1HB       ASP  92 -13.170  -2.526  22.559
 1427    H    GLU  93           HN       GLU  93 -11.473  -2.844  19.484
 1428    HA   GLU  93           HA       GLU  93  -9.827  -4.828  20.910
 1429   1HB   GLU  93          2HB       GLU  93 -11.733  -5.734  19.875
 1430   2HB   GLU  93          1HB       GLU  93 -11.607  -4.655  18.489
 1431   1HG   GLU  93          2HG       GLU  93  -9.911  -5.907  17.509
 1432   2HG   GLU  93          1HG       GLU  93  -9.487  -6.709  19.020
 1433    H    ILE  94           HN       ILE  94  -8.413  -2.530  20.403
 1434    HA   ILE  94           HA       ILE  94  -6.841  -2.650  17.951
 1435    HB   ILE  94           HB       ILE  94  -6.486  -1.396  20.682
 1436   1HG1  ILE  94          2HG1      ILE  94  -8.272  -0.557  19.097
 1437   2HG1  ILE  94          1HG1      ILE  94  -7.070   0.652  19.545
 1438   1HG2  ILE  94          1HG2      ILE  94  -4.259  -1.680  19.952
 1439   2HG2  ILE  94          2HG2      ILE  94  -4.673  -0.055  19.403
 1440   3HG2  ILE  94          3HG2      ILE  94  -4.682  -1.402  18.264
 1441   1HD1  ILE  94          1HD1      ILE  94  -6.103  -0.758  17.252
 1442   2HD1  ILE  94          2HD1      ILE  94  -6.555   0.942  17.375
 1443   3HD1  ILE  94          3HD1      ILE  94  -7.764  -0.263  16.930
 1444    H    GLY  95           HN       GLY  95  -6.482  -3.885  21.260
 1445   1HA   GLY  95          2HA       GLY  95  -3.914  -4.617  21.513
 1446   2HA   GLY  95          1HA       GLY  95  -5.178  -5.745  21.996
 1447    H    GLY  96           HN       GLY  96  -2.839  -4.953  19.525
 1448   1HA   GLY  96          2HA       GLY  96  -3.655  -6.989  17.641
 1449   2HA   GLY  96          1HA       GLY  96  -2.092  -6.169  17.654
 1450    H    HIS  97           HN       HIS  97  -2.502  -9.002  17.211
 1451    HA   HIS  97           HA       HIS  97  -1.612 -11.070  17.935
 1452   1HB   HIS  97          2HB       HIS  97   0.356  -9.476  17.892
 1453   2HB   HIS  97          1HB       HIS  97   0.108  -9.227  19.621
 1454    HD1  HIS  97           HD1      HIS  97   0.629 -12.150  17.219
 1455    HD2  HIS  97           HD2      HIS  97   1.430 -11.093  21.171
 1456    HE1  HIS  97           HE1      HIS  97   1.982 -14.049  18.208
 1457    HN3  RBF  98           HN3      RBF  98  -5.443  -6.493 -11.200
 1458    HC6  RBF  98           HC6      RBF  98  -1.853  -7.947  -5.431
 1459   1HC7  RBF  98          1HC7      RBF  98  -2.192  -8.453  -1.757
 1460   2HC7  RBF  98          2HC7      RBF  98  -1.093  -7.897  -3.037
 1461   3HC7  RBF  98          3HC7      RBF  98  -1.526  -9.616  -2.923
 1462   1HC8  RBF  98          1HC8      RBF  98  -4.284  -8.003  -1.120
 1463   2HC8  RBF  98          2HC8      RBF  98  -4.012  -9.716  -1.504
 1464   3HC8  RBF  98          3HC8      RBF  98  -5.652  -9.036  -1.587
 1465    HC9  RBF  98           HC9      RBF  98  -6.471  -8.340  -3.657
 1466   1HC1  RBF  98          1HC1      RBF  98  -8.414  -7.636  -6.603
 1467   2HC1  RBF  98          2HC1      RBF  98  -7.896  -7.069  -5.003
 1468   HC2*  RBF  98          HC2*      RBF  98  -8.078  -9.139  -4.117
 1469   HO2*  RBF  98          HO2*      RBF  98  -7.113 -10.989  -5.335
 1470   HC3*  RBF  98          HC3*      RBF  98  -9.308 -10.852  -5.603
 1471   HO3*  RBF  98          HO3*      RBF  98  -8.752 -10.190  -7.658
 1472   HC4*  RBF  98          HC4*      RBF  98 -10.431  -8.034  -5.313
 1473   HO4*  RBF  98          HO4*      RBF  98 -10.108  -8.555  -3.254
 1474   1HC5  RBF  98          1HC5      RBF  98 -12.614  -9.212  -5.216
 1475   2HC5  RBF  98          2HC5      RBF  98 -11.801  -9.477  -6.773
 1476   HO5*  RBF  98          HO5*      RBF  98 -12.713 -11.410  -5.536
 1477    HN3  RBF  99           HN3      RBF  99  -9.948  15.664   2.100
 1478    HC6  RBF  99           HC6      RBF  99  -7.747  11.682   7.352
 1479   1HC7  RBF  99          1HC7      RBF  99  -4.818   9.753   8.606
 1480   2HC7  RBF  99          2HC7      RBF  99  -6.593   9.833   8.602
 1481   3HC7  RBF  99          3HC7      RBF  99  -5.649  11.075   9.453
 1482   1HC8  RBF  99          1HC8      RBF  99  -3.202   9.745   7.067
 1483   2HC8  RBF  99          2HC8      RBF  99  -3.053  11.067   8.244
 1484   3HC8  RBF  99          3HC8      RBF  99  -2.300  11.215   6.642
 1485    HC9  RBF  99           HC9      RBF  99  -3.448  12.365   4.968
 1486   1HC1  RBF  99          1HC1      RBF  99  -4.489  14.462   2.235
 1487   2HC1  RBF  99          2HC1      RBF  99  -3.907  12.861   2.732
 1488   HC2*  RBF  99          HC2*      RBF  99  -2.472  13.758   4.230
 1489   HO2*  RBF  99          HO2*      RBF  99  -3.292  15.476   5.711
 1490   HC3*  RBF  99          HC3*      RBF  99  -2.127  16.302   4.018
 1491   HO3*  RBF  99          HO3*      RBF  99  -4.128  16.999   3.324
 1492   HC4*  RBF  99          HC4*      RBF  99  -2.178  14.580   1.504
 1493   HO4*  RBF  99          HO4*      RBF  99  -0.782  13.486   2.716
 1494   1HC5  RBF  99          1HC5      RBF  99  -0.318  16.060   0.786
 1495   2HC5  RBF  99          2HC5      RBF  99  -1.821  16.975   1.029
 1496   HO5*  RBF  99          HO5*      RBF  99   0.276  17.796   2.042