*HEADER   ELECTRON TRANSPORT                      06-FEB-97   2CJN    
*TITLE    STRUCTURE OF FERREDOXIN, NMR, MINIMIZED AVERAGE STRUCTURE   
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: FERREDOXIN;                                      
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 OTHER_DETAILS: 2FE-2S                                      
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS;              
*SOURCE  3 OTHER_DETAILS: CYANOBACTERIUM                              
*KEYWDS   FERREDOXIN, ELECTRON TRANSPORT, IRON-SULFUR PROTEIN         
*EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
*AUTHOR   H.HATANAKA,R.TANIMURA,S.KATOH,F.INAGAKI                     
*REVDAT  1   15-MAY-97 2CJN    0                                      
*SPRSDE    15-MAY-97 2CJN      1CJN                                           

remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign (resid   1 and name HA  )(resid   2 and name HN  ) 1.80 0.00 1.67
assign (resid   1 and name HB# )(resid   2 and name HN  ) 1.80 0.00 2.38
assign (resid   1 and name HB# )(resid   3 and name HN  ) 1.80 0.00 2.89
assign (resid   1 and name HB# )(resid   3 and name HD# ) 1.80 0.00 3.41
assign (resid   1 and name HB# )(resid   3 and name HE# ) 1.80 0.00 2.49
assign (resid   2 and name HN  )(resid   2 and name HB  ) 1.80 0.00 1.97
assign (resid   2 and name HN  )(resid   2 and name HG2#) 1.80 0.00 3.13
assign (resid   2 and name HA  )(resid   2 and name HB  ) 1.80 0.00 1.66
assign (resid   2 and name HA  )(resid   2 and name HG2#) 1.80 0.00 1.91
assign (resid   2 and name HA  )(resid   3 and name HN  ) 1.80 0.00 1.02
assign (resid   2 and name HB  )(resid   3 and name HN  ) 1.80 0.00 2.01
assign (resid   2 and name HB  )(resid  19 and name HN  ) 1.80 0.00 2.67
assign (resid   2 and name HA  )(resid  20 and name HA  ) 1.80 0.00 0.88 !2
assign (resid   3 and name HN  )(resid   3 and name HA  ) 1.80 0.00 2.00
assign (resid   3 and name HN  )(resid   3 and name HB# ) 1.80 0.00 2.39
assign (resid   3 and name HN  )(resid   3 and name HD# ) 1.80 0.00 2.13
assign (resid   3 and name HA  )(resid   3 and name HB# ) 1.80 0.00 1.95 !2
assign (resid   3 and name HA  )(resid   3 and name HD# ) 1.80 0.00 1.59
assign (resid   3 and name HB# )(resid   3 and name HD# ) 1.80 0.00 1.86 !2
assign (resid   3 and name HA  )(resid   3 and name HE# ) 1.80 0.00 2.81
assign (resid   3 and name HA  )(resid   4 and name HN  ) 1.80 0.00 1.28
assign (resid   3 and name HB# )(resid   4 and name HN  ) 1.80 0.00 1.89 !2
assign (resid   3 and name HD# )(resid   4 and name HN  ) 1.80 0.00 2.38
assign (resid   3 and name HD# )(resid   5 and name HG* ) 1.80 0.00 4.03
assign (resid   3 and name HN  )(resid  19 and name HN  ) 1.80 0.00 1.85
assign (resid   3 and name HD# )(resid  21 and name HA  ) 1.80 0.00 2.08
assign (resid   3 and name HE# )(resid  21 and name HA  ) 1.80 0.00 2.11
assign (resid   3 and name HE# )(resid  21 and name HB# ) 1.80 0.00 2.00
assign (resid   3 and name HE# )(resid  21 and name HG# ) 1.80 0.00 2.68
assign (resid   3 and name HD# )(resid  82 and name HD# ) 1.80 0.00 3.62
assign (resid   3 and name HD# )(resid  82 and name HA  ) 1.80 0.00 2.84
assign (resid   3 and name HD# )(resid  82 and name HB# ) 1.80 0.00 1.86 !2
assign (resid   3 and name HD# )(resid  82 and name HG# ) 1.80 0.00 1.94
assign (resid   3 and name HD# )(resid  83 and name HA  ) 1.80 0.00 2.21
assign (resid   3 and name HE# )(resid  83 and name HA  ) 1.80 0.00 1.68
assign (resid   3 and name HE# )(resid  83 and name HB# ) 1.80 0.00 3.59
assign (resid   3 and name HB# )(resid  84 and name HN  ) 1.80 0.00 2.91
assign (resid   3 and name HE# )(resid  84 and name HN  ) 1.80 0.00 2.89
assign (resid   3 and name HD# )(resid  84 and name HA  ) 1.80 0.00 1.93
assign (resid   3 and name HE# )(resid  84 and name HA  ) 1.80 0.00 1.64
assign (resid   3 and name HB# )(resid  85 and name HN  ) 1.80 0.00 2.85
assign (resid   3 and name HD# )(resid  85 and name HN  ) 1.80 0.00 2.04
assign (resid   3 and name HB# )(resid  85 and name HA  ) 1.80 0.00 1.73 !2
assign (resid   3 and name HD# )(resid  85 and name HA  ) 1.80 0.00 2.57
assign (resid   4 and name HN  )(resid   4 and name HA  ) 1.80 0.00 1.75
assign (resid   4 and name HN  )(resid   4 and name HB# ) 1.80 0.00 1.72
assign (resid   4 and name HN  )(resid   4 and name HG# ) 1.80 0.00 1.95
assign (resid   4 and name HN  )(resid   4 and name HD# ) 1.80 0.00 2.14
assign (resid   4 and name HA  )(resid   4 and name HG# ) 1.80 0.00 1.75
assign (resid   4 and name HB# )(resid   4 and name HG# ) 1.80 0.00 1.37
assign (resid   4 and name HG# )(resid   4 and name HE# ) 1.80 0.00 2.96
assign (resid   4 and name HA  )(resid   4 and name HD# ) 1.80 0.00 2.22
assign (resid   4 and name HA  )(resid   5 and name HN  ) 1.80 0.00 0.96
assign (resid   4 and name HG# )(resid   5 and name HN  ) 1.80 0.00 2.44
assign (resid   4 and name HA  )(resid  16 and name HG2#) 1.80 0.00 2.36
assign (resid   4 and name HB# )(resid  16 and name HG2#) 1.80 0.00 2.66
assign (resid   4 and name HG# )(resid  16 and name HG2#) 1.80 0.00 2.06
assign (resid   4 and name HA  )(resid  18 and name HA  ) 1.80 0.00 1.38
assign (resid   4 and name HA  )(resid  19 and name HN  ) 1.80 0.00 2.22
assign (resid   5 and name HN  )(resid   5 and name HB  ) 1.80 0.00 1.33
assign (resid   5 and name HN  )(resid   5 and name HG* ) 1.80 0.00 2.36
assign (resid   5 and name HA  )(resid   5 and name HG* ) 1.80 0.00 2.67
assign (resid   5 and name HB  )(resid   5 and name HG* ) 1.80 0.00 1.53 !2
assign (resid   5 and name HA  )(resid   6 and name HN  ) 1.80 0.00 1.46
assign (resid   5 and name HB  )(resid   6 and name HN  ) 1.80 0.00 2.68
assign (resid   5 and name HG* )(resid   6 and name HN  ) 1.80 0.00 2.55 !2
assign (resid   5 and name HN  )(resid  16 and name HG2#) 1.80 0.00 2.25
assign (resid   5 and name HN  )(resid  17 and name HN  ) 1.80 0.00 1.80
assign (resid   5 and name HB  )(resid  17 and name HN  ) 1.80 0.00 2.12
assign (resid   5 and name HN  )(resid  17 and name HG1#) 1.80 0.00 2.46
assign (resid   5 and name HB  )(resid  17 and name HD# ) 1.80 0.00 2.53
assign (resid   5 and name HN  )(resid  18 and name HA  ) 1.80 0.00 1.90
assign (resid   5 and name HB  )(resid  25 and name HG1#) 1.80 0.00 2.20
assign (resid   5 and name HA  )(resid  86 and name HN  ) 1.80 0.00 1.91
assign (resid   5 and name HG* )(resid  86 and name HN  ) 1.80 0.00 3.03 !2
assign (resid   5 and name HG* )(resid  86 and name HB# ) 1.80 0.00 3.64
assign (resid   6 and name HN  )(resid   6 and name HB  ) 1.80 0.00 1.32
assign (resid   6 and name HA  )(resid   6 and name HB  ) 1.80 0.00 1.98
assign (resid   6 and name HA  )(resid   6 and name HG2#) 1.80 0.00 1.93
assign (resid   6 and name HA  )(resid   7 and name HN  ) 1.80 0.00 1.07
assign (resid   6 and name HG2#)(resid   7 and name HN  ) 1.80 0.00 2.07
assign (resid   6 and name HG2#)(resid   7 and name HA  ) 1.80 0.00 2.94
assign (resid   6 and name HG2#)(resid   8 and name HN  ) 1.80 0.00 3.36
assign (resid   6 and name HG2#)(resid   8 and name HA  ) 1.80 0.00 2.80
assign (resid   6 and name HG2#)(resid  15 and name HN  ) 1.80 0.00 2.52
assign (resid   6 and name HG2#)(resid  16 and name HN  ) 1.80 0.00 3.51
assign (resid   6 and name HA  )(resid  16 and name HA  ) 1.80 0.00 1.04
assign (resid   6 and name HA  )(resid  16 and name HG2#) 1.80 0.00 2.43
assign (resid   6 and name HG2#)(resid  16 and name HA  ) 1.80 0.00 2.67
assign (resid   6 and name HA  )(resid  17 and name HN  ) 1.80 0.00 1.91
assign (resid   6 and name HN  )(resid  86 and name HN  ) 1.80 0.00 2.22
assign (resid   6 and name HN  )(resid  87 and name HA  ) 1.80 0.00 1.42
assign (resid   6 and name HB  )(resid  87 and name HA  ) 1.80 0.00 1.28
assign (resid   6 and name HB  )(resid  87 and name HB# ) 1.80 0.00 2.33
assign (resid   6 and name HG2#)(resid  87 and name HA  ) 1.80 0.00 2.71
assign (resid   6 and name HG2#)(resid  87 and name HB# ) 1.80 0.00 2.95
assign (resid   6 and name HG2#)(resid  87 and name HE# ) 1.80 0.00 3.21 !2
assign (resid   6 and name HB  )(resid  88 and name HN  ) 1.80 0.00 2.21
assign (resid   6 and name HG2#)(resid  88 and name HN  ) 1.80 0.00 3.27
assign (resid   7 and name HN  )(resid   7 and name HA  ) 1.80 0.00 1.73
assign (resid   7 and name HN  )(resid   7 and name HB# ) 1.80 0.00 1.73 !2
assign (resid   7 and name HN  )(resid   7 and name HG  ) 1.80 0.00 1.57
assign (resid   7 and name HN  )(resid   7 and name HD* ) 1.80 0.00 3.00
assign (resid   7 and name HA  )(resid   7 and name HB# ) 1.80 0.00 1.65 !2
assign (resid   7 and name HA  )(resid   7 and name HG  ) 1.80 0.00 1.81
assign (resid   7 and name HA  )(resid   7 and name HD* ) 1.80 0.00 2.09 !2
assign (resid   7 and name HB# )(resid   7 and name HD* ) 1.80 0.00 2.53 !2
assign (resid   7 and name HG  )(resid   7 and name HD* ) 1.80 0.00 1.83
assign (resid   7 and name HN  )(resid   8 and name HN  ) 1.80 0.00 1.98
assign (resid   7 and name HA  )(resid   8 and name HN  ) 1.80 0.00 0.92
assign (resid   7 and name HD* )(resid   8 and name HN  ) 1.80 0.00 2.98
assign (resid   7 and name HN  )(resid  14 and name HA  ) 1.80 0.00 2.71
assign (resid   7 and name HN  )(resid  15 and name HN  ) 1.80 0.00 1.68
assign (resid   7 and name HB# )(resid  15 and name HN  ) 1.80 0.00 2.84
assign (resid   7 and name HN  )(resid  15 and name HG2#) 1.80 0.00 3.18
assign (resid   7 and name HB# )(resid  15 and name HB  ) 1.80 0.00 2.38
assign (resid   7 and name HN  )(resid  16 and name HA  ) 1.80 0.00 1.72
assign (resid   7 and name HD* )(resid  29 and name HA  ) 1.80 0.00 2.99
assign (resid   7 and name HA  )(resid  88 and name HN  ) 1.80 0.00 1.76
assign (resid   7 and name HA  )(resid  88 and name HB  ) 1.80 0.00 2.00
assign (resid   7 and name HD* )(resid  88 and name HG2#) 1.80 0.00 2.88
assign (resid   7 and name HD* )(resid  88 and name HB  ) 1.80 0.00 2.09
assign (resid   8 and name HN  )(resid   8 and name HA  ) 1.80 0.00 1.67
assign (resid   8 and name HN  )(resid   8 and name HB  ) 1.80 0.00 1.33
assign (resid   8 and name HN  )(resid   8 and name HG* ) 1.80 0.00 2.18 !2
assign (resid   8 and name HA  )(resid   8 and name HB  ) 1.80 0.00 1.73
assign (resid   8 and name HA  )(resid   8 and name HG* ) 1.80 0.00 2.03
assign (resid   8 and name HB  )(resid   8 and name HG* ) 1.80 0.00 1.86
assign (resid   8 and name HA  )(resid   9 and name HN  ) 1.80 0.00 0.98
assign (resid   8 and name HG* )(resid   9 and name HN  ) 1.80 0.00 2.40 !2
assign (resid   8 and name HA  )(resid   9 and name HG# ) 1.80 0.00 2.14
assign (resid   8 and name HA  )(resid  14 and name HA  ) 1.80 0.00 1.07
assign (resid   8 and name HG* )(resid  14 and name HA  ) 1.80 0.00 2.98 !2
assign (resid   8 and name HG* )(resid  15 and name HN  ) 1.80 0.00 3.28
assign (resid   8 and name HN  )(resid  89 and name HA  ) 1.80 0.00 1.57
assign (resid   8 and name HN  )(resid  89 and name HG  ) 1.80 0.00 2.17
assign (resid   8 and name HB  )(resid  89 and name HA  ) 1.80 0.00 1.13
assign (resid   8 and name HG* )(resid  89 and name HA  ) 1.80 0.00 2.70 !2
assign (resid   8 and name HB  )(resid  89 and name HD* ) 1.80 0.00 2.07
assign (resid   8 and name HN  )(resid  90 and name HN  ) 1.80 0.00 1.85
assign (resid   8 and name HG* )(resid  92 and name HE# ) 1.80 0.00 4.34
assign (resid   9 and name HN  )(resid   9 and name HA  ) 1.80 0.00 1.58
assign (resid   9 and name HN  )(resid   9 and name HB# ) 1.80 0.00 1.88 !2
assign (resid   9 and name HN  )(resid   9 and name HG# ) 1.80 0.00 1.90 !2
assign (resid   9 and name HN  )(resid   9 and name HD# ) 1.80 0.00 2.86
assign (resid   9 and name HA  )(resid   9 and name HB# ) 1.80 0.00 2.00
assign (resid   9 and name HA  )(resid   9 and name HG# ) 1.80 0.00 2.24 !2
assign (resid   9 and name HG# )(resid   9 and name HD# ) 1.80 0.00 2.36 !2
assign (resid   9 and name HA  )(resid   9 and name HD# ) 1.80 0.00 2.04 !2
assign (resid   9 and name HA  )(resid   9 and name HE  ) 1.80 0.00 2.00
assign (resid   9 and name HG# )(resid   9 and name HE  ) 1.80 0.00 2.98
assign (resid   9 and name HD# )(resid   9 and name HE  ) 1.80 0.00 2.06 !2
assign (resid   9 and name HA  )(resid  10 and name HD# ) 1.80 0.00 1.39 !2
assign (resid   9 and name HB# )(resid  10 and name HD# ) 1.80 0.00 1.93
assign (resid   9 and name HB# )(resid  11 and name HN  ) 1.80 0.00 1.79 !2
assign (resid   9 and name HN  )(resid  14 and name HA  ) 1.80 0.00 1.85
assign (resid   9 and name HA  )(resid  90 and name HG1 ) 1.80 0.00 1.76
assign (resid   9 and name HB# )(resid  90 and name HG1 ) 1.80 0.00 2.83 !2
assign (resid   9 and name HD# )(resid  90 and name HG1 ) 1.80 0.00 3.14
assign (resid   9 and name HA  )(resid  90 and name HG2#) 1.80 0.00 2.66
assign (resid   9 and name HD# )(resid  90 and name HG2#) 1.80 0.00 2.75
assign (resid   9 and name HE  )(resid  90 and name HB  ) 1.80 0.00 2.31
assign (resid   9 and name HB# )(resid  91 and name HD# ) 1.80 0.00 3.00
assign (resid  10 and name HD# )(resid  10 and name HA  ) 1.80 0.00 2.44
assign (resid  10 and name HD# )(resid  10 and name HB# ) 1.80 0.00 2.85
assign (resid  10 and name HA  )(resid  10 and name HB# ) 1.80 0.00 1.15
assign (resid  10 and name HD# )(resid  10 and name HG# ) 1.80 0.00 2.02 !2
assign (resid  10 and name HB# )(resid  10 and name HG# ) 1.80 0.00 1.08
assign (resid  10 and name HA  )(resid  11 and name HN  ) 1.80 0.00 1.99
assign (resid  10 and name HB# )(resid  11 and name HN  ) 1.80 0.00 2.46
assign (resid  10 and name HG# )(resid  11 and name HN  ) 1.80 0.00 2.45
assign (resid  10 and name HD# )(resid  90 and name HN  ) 1.80 0.00 3.17
assign (resid  10 and name HD# )(resid  90 and name HG1 ) 1.80 0.00 1.88
assign (resid  10 and name HG# )(resid  90 and name HG1 ) 1.80 0.00 3.06
assign (resid  10 and name HD# )(resid  91 and name HB# ) 1.80 0.00 2.73
assign (resid  10 and name HG# )(resid  91 and name HB# ) 1.80 0.00 2.28 !3
assign (resid  11 and name HN  )(resid  11 and name HB# ) 1.80 0.00 2.10 !2
assign (resid  11 and name HA  )(resid  11 and name HB# ) 1.80 0.00 1.61
assign (resid  11 and name HA  )(resid  12 and name HN  ) 1.80 0.00 2.10
assign (resid  11 and name HN  )(resid  13 and name HN  ) 1.80 0.00 2.29
assign (resid  12 and name HN  )(resid  12 and name HA# ) 1.80 0.00 1.58
assign (resid  12 and name HN  )(resid  13 and name HN  ) 1.80 0.00 1.53
assign (resid  12 and name HA# )(resid  13 and name HN  ) 1.80 0.00 2.60
assign (resid  13 and name HN  )(resid  13 and name HA  ) 1.80 0.00 1.39
assign (resid  13 and name HN  )(resid  13 and name HB# ) 1.80 0.00 1.79
assign (resid  13 and name HA  )(resid  13 and name HB# ) 1.80 0.00 1.21
assign (resid  13 and name HA  )(resid  14 and name HN  ) 1.80 0.00 0.99
assign (resid  13 and name HB# )(resid  14 and name HN  ) 1.80 0.00 1.83
assign (resid  14 and name HN  )(resid  14 and name HA  ) 1.80 0.00 1.63
assign (resid  14 and name HN  )(resid  14 and name HB# ) 1.80 0.00 1.84
assign (resid  14 and name HN  )(resid  14 and name HG# ) 1.80 0.00 2.19 !2
assign (resid  14 and name HA  )(resid  14 and name HB# ) 1.80 0.00 1.77
assign (resid  14 and name HA  )(resid  14 and name HG# ) 1.80 0.00 2.20 !2
assign (resid  14 and name HA  )(resid  15 and name HN  ) 1.80 0.00 0.96
assign (resid  15 and name HN  )(resid  15 and name HB  ) 1.80 0.00 1.54
assign (resid  15 and name HA  )(resid  15 and name HB  ) 1.80 0.00 1.45
assign (resid  15 and name HA  )(resid  15 and name HG2#) 1.80 0.00 1.87
assign (resid  15 and name HA  )(resid  16 and name HN  ) 1.80 0.00 1.05
assign (resid  15 and name HG2#)(resid  16 and name HN  ) 1.80 0.00 2.06
assign (resid  16 and name HN  )(resid  16 and name HB  ) 1.80 0.00 1.38
assign (resid  16 and name HA  )(resid  16 and name HB  ) 1.80 0.00 1.70
assign (resid  16 and name HA  )(resid  16 and name HG2#) 1.80 0.00 1.84
assign (resid  16 and name HA  )(resid  17 and name HN  ) 1.80 0.00 1.03
assign (resid  16 and name HG2#)(resid  17 and name HN  ) 1.80 0.00 1.82
assign (resid  17 and name HN  )(resid  17 and name HA  ) 1.80 0.00 1.77
assign (resid  17 and name HN  )(resid  17 and name HB  ) 1.80 0.00 2.21
assign (resid  17 and name HN  )(resid  17 and name HG2#) 1.80 0.00 2.26
assign (resid  17 and name HN  )(resid  17 and name HG1#) 1.80 0.00 1.92
assign (resid  17 and name HN  )(resid  17 and name HD# ) 1.80 0.00 2.71
assign (resid  17 and name HA  )(resid  17 and name HB  ) 1.80 0.00 1.20
assign (resid  17 and name HA  )(resid  17 and name HG2#) 1.80 0.00 1.58
assign (resid  17 and name HA  )(resid  17 and name HD# ) 1.80 0.00 2.90
assign (resid  17 and name HB  )(resid  17 and name HD# ) 1.80 0.00 1.72
assign (resid  17 and name HB  )(resid  18 and name HN  ) 1.80 0.00 1.23
assign (resid  17 and name HG1#)(resid  18 and name HN  ) 1.80 0.00 2.78
assign (resid  17 and name HD# )(resid  18 and name HN  ) 1.80 0.00 3.04
assign (resid  17 and name HN  )(resid  19 and name HG* ) 1.80 0.00 3.55
assign (resid  17 and name HB  )(resid  19 and name HG* ) 1.80 0.00 2.76
assign (resid  17 and name HG1#)(resid  19 and name HG* ) 1.80 0.00 2.49
assign (resid  17 and name HD# )(resid  19 and name HG* ) 1.80 0.00 2.65
assign (resid  17 and name HD# )(resid  25 and name HA  ) 1.80 0.00 2.92
assign (resid  17 and name HD# )(resid  28 and name HN  ) 1.80 0.00 3.45
assign (resid  17 and name HD# )(resid  28 and name HB  ) 1.80 0.00 2.19
assign (resid  17 and name HD# )(resid  28 and name HG* ) 1.80 0.00 2.56
assign (resid  17 and name HD# )(resid  29 and name HN  ) 1.80 0.00 2.31
assign (resid  17 and name HB  )(resid  29 and name HA  ) 1.80 0.00 2.21
assign (resid  17 and name HG2#)(resid  29 and name HA  ) 1.80 0.00 2.22
assign (resid  17 and name HD# )(resid  29 and name HA  ) 1.80 0.00 1.67
assign (resid  17 and name HB  )(resid  32 and name HG# ) 1.80 0.00 2.44
assign (resid  17 and name HG2#)(resid  32 and name HB# ) 1.80 0.00 2.97
assign (resid  18 and name HN  )(resid  18 and name HA  ) 1.80 0.00 1.75
assign (resid  18 and name HN  )(resid  18 and name HB# ) 1.80 0.00 1.60 !2
assign (resid  18 and name HA  )(resid  18 and name HB# ) 1.80 0.00 1.89
assign (resid  18 and name HA  )(resid  19 and name HN  ) 1.80 0.00 0.94
assign (resid  18 and name HB# )(resid  19 and name HN  ) 1.80 0.00 2.26 !2
assign (resid  18 and name HN  )(resid  19 and name HG* ) 1.80 0.00 3.40
assign (resid  18 and name HA  )(resid  19 and name HG* ) 1.80 0.00 2.52
assign (resid  18 and name HN  )(resid  28 and name HG* ) 1.80 0.00 3.53
assign (resid  19 and name HN  )(resid  19 and name HA  ) 1.80 0.00 1.82
assign (resid  19 and name HN  )(resid  19 and name HB  ) 1.80 0.00 1.38
assign (resid  19 and name HN  )(resid  19 and name HG* ) 1.80 0.00 2.05
assign (resid  19 and name HA  )(resid  19 and name HG* ) 1.80 0.00 2.23 !2
assign (resid  19 and name HB  )(resid  19 and name HG* ) 1.80 0.00 1.78
assign (resid  19 and name HN  )(resid  20 and name HD# ) 1.80 0.00 2.96
assign (resid  19 and name HA  )(resid  20 and name HD# ) 1.80 0.00 1.28 !2
assign (resid  19 and name HG* )(resid  20 and name HD# ) 1.80 0.00 2.57
assign (resid  19 and name HG* )(resid  23 and name HN  ) 1.80 0.00 3.17
assign (resid  19 and name HG* )(resid  25 and name HA  ) 1.80 0.00 2.03 !2
assign (resid  19 and name HG* )(resid  25 and name HG1#) 1.80 0.00 3.13
assign (resid  19 and name HA  )(resid  28 and name HG* ) 1.80 0.00 2.57 !2
assign (resid  19 and name HG* )(resid  28 and name HB  ) 1.80 0.00 2.24
assign (resid  19 and name HG* )(resid  28 and name HG* ) 1.80 0.00 3.16 !2
assign (resid  19 and name HG* )(resid  82 and name HD# ) 1.80 0.00 3.15
assign (resid  19 and name HG* )(resid  82 and name HG# ) 1.80 0.00 3.38
assign (resid  20 and name HA  )(resid  20 and name HB# ) 1.80 0.00 1.67
assign (resid  20 and name HD# )(resid  20 and name HG# ) 1.80 0.00 1.79 !4
assign (resid  20 and name HA  )(resid  20 and name HG# ) 1.80 0.00 2.15
assign (resid  20 and name HA  )(resid  21 and name HN  ) 1.80 0.00 1.07
assign (resid  20 and name HB# )(resid  21 and name HN  ) 1.80 0.00 2.49
assign (resid  20 and name HA  )(resid  22 and name HN  ) 1.80 0.00 2.63
assign (resid  20 and name HB# )(resid  22 and name HN  ) 1.80 0.00 2.11 !2
assign (resid  20 and name HB# )(resid  22 and name HB# ) 1.80 0.00 2.12
assign (resid  20 and name HB# )(resid  23 and name HN  ) 1.80 0.00 2.39 !2
assign (resid  20 and name HD# )(resid  23 and name HB# ) 1.80 0.00 2.46
assign (resid  20 and name HD# )(resid  28 and name HG* ) 1.80 0.00 2.85 !3
assign (resid  21 and name HN  )(resid  21 and name HA  ) 1.80 0.00 1.46
assign (resid  21 and name HN  )(resid  21 and name HB# ) 1.80 0.00 1.66 !2
assign (resid  21 and name HN  )(resid  21 and name HG# ) 1.80 0.00 1.76
assign (resid  21 and name HA  )(resid  21 and name HB# ) 1.80 0.00 1.54
assign (resid  21 and name HB# )(resid  21 and name HG# ) 1.80 0.00 1.48
assign (resid  21 and name HN  )(resid  22 and name HN  ) 1.80 0.00 1.62
assign (resid  21 and name HA  )(resid  22 and name HN  ) 1.80 0.00 2.05
assign (resid  21 and name HB# )(resid  22 and name HN  ) 1.80 0.00 2.47
assign (resid  22 and name HN  )(resid  22 and name HA  ) 1.80 0.00 1.54
assign (resid  22 and name HN  )(resid  22 and name HB# ) 1.80 0.00 2.18 !2
assign (resid  22 and name HA  )(resid  22 and name HB# ) 1.80 0.00 1.48 !2
assign (resid  22 and name HN  )(resid  23 and name HN  ) 1.80 0.00 1.20
assign (resid  22 and name HA  )(resid  23 and name HN  ) 1.80 0.00 1.60
assign (resid  22 and name HB# )(resid  23 and name HN  ) 1.80 0.00 3.07 !2
assign (resid  22 and name HN  )(resid  81 and name HD# ) 1.80 0.00 2.88
assign (resid  22 and name HA  )(resid  81 and name HE# ) 1.80 0.00 1.89 !2
assign (resid  22 and name HA  )(resid  81 and name HD# ) 1.80 0.00 1.81
assign (resid  22 and name HB# )(resid  81 and name HE# ) 1.80 0.00 3.35
assign (resid  23 and name HN  )(resid  23 and name HA  ) 1.80 0.00 1.50
assign (resid  23 and name HN  )(resid  23 and name HB# ) 1.80 0.00 1.81
assign (resid  23 and name HN  )(resid  23 and name HG# ) 1.80 0.00 1.79
assign (resid  23 and name HA  )(resid  23 and name HB# ) 1.80 0.00 2.08
assign (resid  23 and name HA  )(resid  23 and name HG# ) 1.80 0.00 1.40
assign (resid  23 and name HA  )(resid  24 and name HN  ) 1.80 0.00 0.98
assign (resid  23 and name HN  )(resid  81 and name HD# ) 1.80 0.00 1.65
assign (resid  23 and name HN  )(resid  81 and name HE# ) 1.80 0.00 2.44 !2
assign (resid  23 and name HA  )(resid  81 and name HD# ) 1.80 0.00 2.39
assign (resid  23 and name HA  )(resid  81 and name HE# ) 1.80 0.00 1.72
assign (resid  23 and name HG# )(resid  81 and name HE# ) 1.80 0.00 3.42
assign (resid  23 and name HN  )(resid  82 and name HD# ) 1.80 0.00 3.00
assign (resid  24 and name HA  )(resid  24 and name HB# ) 1.80 0.00 1.92
assign (resid  24 and name HB# )(resid  24 and name HD# ) 1.80 0.00 2.15 !2
assign (resid  24 and name HA  )(resid  24 and name HD# ) 1.80 0.00 1.62
assign (resid  24 and name HA  )(resid  25 and name HN  ) 1.80 0.00 1.10
assign (resid  24 and name HB# )(resid  25 and name HN  ) 1.80 0.00 2.36
assign (resid  24 and name HD# )(resid  25 and name HN  ) 1.80 0.00 2.53 !2
assign (resid  24 and name HA  )(resid  27 and name HN  ) 1.80 0.00 2.66
assign (resid  24 and name HN  )(resid  27 and name HB# ) 1.80 0.00 2.68 !2
assign (resid  24 and name HB# )(resid  27 and name HN  ) 1.80 0.00 2.16
assign (resid  24 and name HE# )(resid  61 and name HB# ) 1.80 0.00 3.63
assign (resid  24 and name HN  )(resid  81 and name HD# ) 1.80 0.00 2.77
assign (resid  24 and name HN  )(resid  81 and name HE# ) 1.80 0.00 2.22 !2
assign (resid  24 and name HA  )(resid  81 and name HD# ) 1.80 0.00 2.17
assign (resid  24 and name HE# )(resid  81 and name HD# ) 1.80 0.00 2.67 !2
assign (resid  25 and name HN  )(resid  25 and name HA  ) 1.80 0.00 1.52
assign (resid  25 and name HN  )(resid  25 and name HB  ) 1.80 0.00 1.39
assign (resid  25 and name HN  )(resid  25 and name HG2#) 1.80 0.00 2.72
assign (resid  25 and name HN  )(resid  25 and name HG1#) 1.80 0.00 1.61 !2
assign (resid  25 and name HN  )(resid  25 and name HD# ) 1.80 0.00 2.47
assign (resid  25 and name HA  )(resid  25 and name HB  ) 1.80 0.00 1.75
assign (resid  25 and name HA  )(resid  25 and name HG2#) 1.80 0.00 1.83
assign (resid  25 and name HA  )(resid  25 and name HG1#) 1.80 0.00 1.72
assign (resid  25 and name HA  )(resid  25 and name HD# ) 1.80 0.00 2.28
assign (resid  25 and name HN  )(resid  26 and name HN  ) 1.80 0.00 2.08
assign (resid  25 and name HA  )(resid  26 and name HN  ) 1.80 0.00 2.48
assign (resid  25 and name HB  )(resid  26 and name HN  ) 1.80 0.00 1.86
assign (resid  25 and name HG2#)(resid  26 and name HN  ) 1.80 0.00 2.73
assign (resid  25 and name HG1#)(resid  26 and name HN  ) 1.80 0.00 2.99
assign (resid  25 and name HG2#)(resid  26 and name HA  ) 1.80 0.00 2.44
assign (resid  25 and name HA  )(resid  28 and name HN  ) 1.80 0.00 2.02
assign (resid  25 and name HA  )(resid  29 and name HN  ) 1.80 0.00 2.39
assign (resid  25 and name HN  )(resid  81 and name HA  ) 1.80 0.00 2.20
assign (resid  25 and name HN  )(resid  82 and name HD# ) 1.80 0.00 2.83
assign (resid  25 and name HD# )(resid  82 and name HD# ) 1.80 0.00 2.93
assign (resid  26 and name HN  )(resid  26 and name HA  ) 1.80 0.00 2.17
assign (resid  26 and name HA  )(resid  27 and name HN  ) 1.80 0.00 2.31
assign (resid  26 and name HA  )(resid  29 and name HB# ) 1.80 0.00 1.92
assign (resid  27 and name HN  )(resid  27 and name HA  ) 1.80 0.00 1.51
assign (resid  27 and name HN  )(resid  27 and name HB# ) 1.80 0.00 1.82 !2
assign (resid  27 and name HA  )(resid  27 and name HB# ) 1.80 0.00 1.66 !2
assign (resid  27 and name HN  )(resid  28 and name HN  ) 1.80 0.00 1.40
assign (resid  27 and name HA  )(resid  28 and name HN  ) 1.80 0.00 1.99
assign (resid  27 and name HB# )(resid  28 and name HN  ) 1.80 0.00 1.89
assign (resid  27 and name HN  )(resid  28 and name HG* ) 1.80 0.00 3.60
assign (resid  27 and name HA  )(resid  29 and name HN  ) 1.80 0.00 2.68
assign (resid  27 and name HA  )(resid  30 and name HN  ) 1.80 0.00 2.05
assign (resid  28 and name HN  )(resid  28 and name HA  ) 1.80 0.00 1.42
assign (resid  28 and name HN  )(resid  28 and name HB  ) 1.80 0.00 1.17
assign (resid  28 and name HN  )(resid  28 and name HG* ) 1.80 0.00 1.88
assign (resid  28 and name HA  )(resid  28 and name HB  ) 1.80 0.00 1.58
assign (resid  28 and name HB  )(resid  28 and name HG* ) 1.80 0.00 1.83 !2
assign (resid  28 and name HA  )(resid  28 and name HG* ) 1.80 0.00 1.88
assign (resid  28 and name HN  )(resid  29 and name HN  ) 1.80 0.00 1.21
assign (resid  28 and name HA  )(resid  29 and name HN  ) 1.80 0.00 1.65
assign (resid  28 and name HG* )(resid  29 and name HN  ) 1.80 0.00 3.03
assign (resid  28 and name HN  )(resid  29 and name HB# ) 1.80 0.00 3.09
assign (resid  28 and name HN  )(resid  30 and name HN  ) 1.80 0.00 2.34
assign (resid  28 and name HG* )(resid  31 and name HN  ) 1.80 0.00 3.73
assign (resid  28 and name HG* )(resid  31 and name HB# ) 1.80 0.00 3.56
assign (resid  28 and name HA  )(resid  31 and name HB# ) 1.80 0.00 1.58
assign (resid  28 and name HG* )(resid  32 and name HN  ) 1.80 0.00 3.71
assign (resid  28 and name HG* )(resid  32 and name HG# ) 1.80 0.00 3.30 !2
assign (resid  28 and name HG* )(resid  32 and name HE# ) 1.80 0.00 3.29 !2
assign (resid  29 and name HN  )(resid  29 and name HA  ) 1.80 0.00 1.40
assign (resid  29 and name HN  )(resid  29 and name HB# ) 1.80 0.00 1.51
assign (resid  29 and name HA  )(resid  29 and name HB# ) 1.80 0.00 1.35
assign (resid  29 and name HN  )(resid  30 and name HN  ) 1.80 0.00 1.37
assign (resid  29 and name HA  )(resid  30 and name HN  ) 1.80 0.00 1.99
assign (resid  29 and name HB# )(resid  30 and name HN  ) 1.80 0.00 1.88
assign (resid  29 and name HB# )(resid  30 and name HB# ) 1.80 0.00 3.25
assign (resid  29 and name HN  )(resid  31 and name HN  ) 1.80 0.00 2.24
assign (resid  29 and name HB# )(resid  32 and name HN  ) 1.80 0.00 3.44
assign (resid  29 and name HA  )(resid  32 and name HB# ) 1.80 0.00 1.92 !2
assign (resid  29 and name HA  )(resid  34 and name HN  ) 1.80 0.00 2.33
assign (resid  29 and name HB# )(resid  34 and name HN  ) 1.80 0.00 2.92
assign (resid  29 and name HA  )(resid  34 and name HB# ) 1.80 0.00 2.52
assign (resid  30 and name HN  )(resid  30 and name HA  ) 1.80 0.00 1.38
assign (resid  30 and name HN  )(resid  30 and name HB# ) 1.80 0.00 1.60 !3
assign (resid  30 and name HA  )(resid  30 and name HB# ) 1.80 0.00 1.60 !3
assign (resid  30 and name HN  )(resid  31 and name HN  ) 1.80 0.00 1.32
assign (resid  30 and name HA  )(resid  31 and name HN  ) 1.80 0.00 1.49
assign (resid  30 and name HB# )(resid  31 and name HN  ) 1.80 0.00 1.95 !2
assign (resid  30 and name HN  )(resid  31 and name HB# ) 1.80 0.00 3.00
assign (resid  30 and name HA  )(resid  34 and name HN  ) 1.80 0.00 1.57
assign (resid  30 and name HA  )(resid  34 and name HB# ) 1.80 0.00 2.66
assign (resid  30 and name HB# )(resid  36 and name HB# ) 1.80 0.00 1.84
assign (resid  31 and name HN  )(resid  31 and name HB# ) 1.80 0.00 1.24
assign (resid  31 and name HN  )(resid  31 and name HG# ) 1.80 0.00 2.15
assign (resid  31 and name HA  )(resid  31 and name HB# ) 1.80 0.00 1.30
assign (resid  31 and name HB# )(resid  32 and name HE# ) 1.80 0.00 3.00 !2
assign (resid  31 and name HN  )(resid  34 and name HD* ) 1.80 0.00 3.91
assign (resid  32 and name HN  )(resid  32 and name HA  ) 1.80 0.00 1.48
assign (resid  32 and name HN  )(resid  32 and name HB# ) 1.80 0.00 1.59 !2
assign (resid  32 and name HN  )(resid  32 and name HG# ) 1.80 0.00 1.86 !2
assign (resid  32 and name HA  )(resid  32 and name HB# ) 1.80 0.00 1.35
assign (resid  32 and name HB# )(resid  32 and name HG# ) 1.80 0.00 2.14
assign (resid  32 and name HA  )(resid  32 and name HE# ) 1.80 0.00 2.67
assign (resid  32 and name HG# )(resid  32 and name HE# ) 1.80 0.00 2.25 !2
assign (resid  32 and name HN  )(resid  34 and name HD* ) 1.80 0.00 4.01
assign (resid  33 and name HN  )(resid  33 and name HA# ) 1.80 0.00 1.41
assign (resid  33 and name HN  )(resid  34 and name HN  ) 1.80 0.00 1.21
assign (resid  33 and name HA# )(resid  34 and name HN  ) 1.80 0.00 2.29 !2
assign (resid  33 and name HN  )(resid  34 and name HB# ) 1.80 0.00 3.17
assign (resid  33 and name HN  )(resid  34 and name HG  ) 1.80 0.00 2.59
assign (resid  34 and name HN  )(resid  34 and name HB# ) 1.80 0.00 1.59 !2
assign (resid  34 and name HN  )(resid  34 and name HG  ) 1.80 0.00 1.43
assign (resid  34 and name HN  )(resid  34 and name HD* ) 1.80 0.00 2.78
assign (resid  34 and name HA  )(resid  34 and name HB# ) 1.80 0.00 1.59
assign (resid  34 and name HA  )(resid  34 and name HG  ) 1.80 0.00 1.72
assign (resid  34 and name HA  )(resid  34 and name HD* ) 1.80 0.00 2.05
assign (resid  34 and name HN  )(resid  35 and name HN  ) 1.80 0.00 2.02
assign (resid  34 and name HA  )(resid  35 and name HN  ) 1.80 0.00 1.03
assign (resid  34 and name HB# )(resid  35 and name HN  ) 1.80 0.00 2.21
assign (resid  34 and name HD* )(resid  35 and name HN  ) 1.80 0.00 3.09
assign (resid  34 and name HB# )(resid  36 and name HN  ) 1.80 0.00 2.96
assign (resid  34 and name HB# )(resid  36 and name HD* ) 1.80 0.00 2.44
assign (resid  35 and name HN  )(resid  35 and name HA  ) 1.80 0.00 1.75
assign (resid  35 and name HN  )(resid  35 and name HB# ) 1.80 0.00 1.64 !2
assign (resid  35 and name HN  )(resid  36 and name HN  ) 1.80 0.00 1.96
assign (resid  35 and name HA  )(resid  36 and name HN  ) 1.80 0.00 1.56
assign (resid  36 and name HN  )(resid  36 and name HB# ) 1.80 0.00 1.87
assign (resid  36 and name HN  )(resid  36 and name HG  ) 1.80 0.00 1.60
assign (resid  36 and name HN  )(resid  36 and name HD* ) 1.80 0.00 3.30 !2
assign (resid  36 and name HA  )(resid  36 and name HB# ) 1.80 0.00 2.40
assign (resid  36 and name HA  )(resid  36 and name HG  ) 1.80 0.00 1.84
assign (resid  36 and name HA  )(resid  36 and name HD* ) 1.80 0.00 2.18 !2
assign (resid  36 and name HA  )(resid  37 and name HD# ) 1.80 0.00 2.51
assign (resid  36 and name HD* )(resid  90 and name HG1 ) 1.80 0.00 3.36
assign (resid  36 and name HD* )(resid  90 and name HB  ) 1.80 0.00 2.81
assign (resid  50 and name HN  )(resid  50 and name HA# ) 1.80 0.00 3.06
assign (resid  50 and name HA# )(resid  51 and name HN  ) 1.80 0.00 2.09 !2
assign (resid  50 and name HN  )(resid  75 and name HN  ) 1.80 0.00 2.32
assign (resid  50 and name HA# )(resid  88 and name HG2#) 1.80 0.00 2.83
assign (resid  51 and name HN  )(resid  51 and name HB# ) 1.80 0.00 2.14 !2
assign (resid  51 and name HD# )(resid  51 and name HE# ) 1.80 0.00 2.50
assign (resid  51 and name HA  )(resid  52 and name HN  ) 1.80 0.00 1.76
assign (resid  51 and name HG# )(resid  52 and name HN  ) 1.80 0.00 2.23
assign (resid  51 and name HB# )(resid  74 and name HD# ) 1.80 0.00 2.95
assign (resid  51 and name HD# )(resid  74 and name HZ  ) 1.80 0.00 2.88
assign (resid  51 and name HN  )(resid  88 and name HG2#) 1.80 0.00 2.00
assign (resid  51 and name HN  )(resid  89 and name HN  ) 1.80 0.00 1.33
assign (resid  51 and name HN  )(resid  89 and name HB# ) 1.80 0.00 2.19 !2
assign (resid  51 and name HN  )(resid  90 and name HA  ) 1.80 0.00 2.37
assign (resid  51 and name HN  )(resid  92 and name HG# ) 1.80 0.00 2.46
assign (resid  51 and name HB# )(resid  92 and name HG# ) 1.80 0.00 2.36 !2
assign (resid  52 and name HN  )(resid  52 and name HA  ) 1.80 0.00 1.52
assign (resid  52 and name HN  )(resid  52 and name HB# ) 1.80 0.00 1.61 !2
assign (resid  52 and name HA  )(resid  52 and name HB# ) 1.80 0.00 1.99
assign (resid  52 and name HA  )(resid  52 and name HD* ) 1.80 0.00 2.16 !2
assign (resid  52 and name HA  )(resid  53 and name HN  ) 1.80 0.00 1.02
assign (resid  52 and name HB# )(resid  53 and name HN  ) 1.80 0.00 2.66
assign (resid  52 and name HD* )(resid  53 and name HN  ) 1.80 0.00 2.79 !2
assign (resid  52 and name HA  )(resid  54 and name HN  ) 1.80 0.00 1.89
assign (resid  52 and name HD* )(resid  54 and name HN  ) 1.80 0.00 2.80 !2
assign (resid  52 and name HD* )(resid  55 and name HN  ) 1.80 0.00 3.76 !2
assign (resid  52 and name HD* )(resid  56 and name HN  ) 1.80 0.00 3.31
assign (resid  52 and name HN  )(resid  73 and name HA# ) 1.80 0.00 2.70
assign (resid  52 and name HN  )(resid  74 and name HA  ) 1.80 0.00 2.19
assign (resid  52 and name HN  )(resid  75 and name HB  ) 1.80 0.00 2.51
assign (resid  52 and name HA  )(resid  75 and name HG* ) 1.80 0.00 2.99
assign (resid  52 and name HD* )(resid  86 and name HB# ) 1.80 0.00 3.11
assign (resid  52 and name HD* )(resid  87 and name HN  ) 1.80 0.00 2.96
assign (resid  52 and name HN  )(resid  88 and name HG2#) 1.80 0.00 3.47
assign (resid  52 and name HD* )(resid  88 and name HG2#) 1.80 0.00 2.97
assign (resid  52 and name HA  )(resid  88 and name HG1#) 1.80 0.00 2.14
assign (resid  52 and name HA  )(resid  89 and name HN  ) 1.80 0.00 2.27
assign (resid  53 and name HN  )(resid  53 and name HA  ) 1.80 0.00 1.65
assign (resid  53 and name HN  )(resid  53 and name HB# ) 1.80 0.00 1.81
assign (resid  53 and name HN  )(resid  53 and name HG  ) 1.80 0.00 1.41
assign (resid  53 and name HA  )(resid  53 and name HB# ) 1.80 0.00 1.95
assign (resid  53 and name HA  )(resid  53 and name HG  ) 1.80 0.00 1.23
assign (resid  53 and name HA  )(resid  53 and name HD* ) 1.80 0.00 1.73
assign (resid  53 and name HN  )(resid  54 and name HN  ) 1.80 0.00 1.15
assign (resid  53 and name HA  )(resid  54 and name HN  ) 1.80 0.00 1.92
assign (resid  53 and name HB# )(resid  54 and name HN  ) 1.80 0.00 1.96
assign (resid  53 and name HD* )(resid  54 and name HN  ) 1.80 0.00 3.73
assign (resid  53 and name HN  )(resid  87 and name HN  ) 1.80 0.00 2.40
assign (resid  54 and name HN  )(resid  54 and name HA  ) 1.80 0.00 1.36
assign (resid  54 and name HN  )(resid  54 and name HB# ) 1.80 0.00 2.23 !2
assign (resid  54 and name HN  )(resid  54 and name HG# ) 1.80 0.00 3.11
assign (resid  54 and name HA  )(resid  54 and name HB# ) 1.80 0.00 1.76 !2
assign (resid  54 and name HB# )(resid  54 and name HG# ) 1.80 0.00 2.13
assign (resid  54 and name HA  )(resid  54 and name HG# ) 1.80 0.00 2.41
assign (resid  54 and name HA  )(resid  55 and name HN  ) 1.80 0.00 0.89
assign (resid  54 and name HB# )(resid  55 and name HN  ) 1.80 0.00 2.16 !2
assign (resid  55 and name HN  )(resid  55 and name HA# ) 1.80 0.00 1.58
assign (resid  55 and name HN  )(resid  86 and name HB# ) 1.80 0.00 3.20
assign (resid  55 and name HA# )(resid  86 and name HA  ) 1.80 0.00 1.65 !3
assign (resid  55 and name HA# )(resid  86 and name HB# ) 1.80 0.00 3.09 !2
assign (resid  56 and name HN  )(resid  56 and name HA  ) 1.80 0.00 1.60
assign (resid  56 and name HN  )(resid  56 and name HB# ) 1.80 0.00 2.00 !2
assign (resid  56 and name HA  )(resid  56 and name HB# ) 1.80 0.00 1.94 !2
assign (resid  56 and name HA  )(resid  57 and name HN  ) 1.80 0.00 0.89
assign (resid  56 and name HB# )(resid  57 and name HN  ) 1.80 0.00 2.16
assign (resid  56 and name HG# )(resid  57 and name HN  ) 1.80 0.00 1.83
assign (resid  56 and name HA  )(resid  57 and name HG* ) 1.80 0.00 2.67
assign (resid  56 and name HN  )(resid  84 and name HB# ) 1.80 0.00 3.05
assign (resid  56 and name HN  )(resid  86 and name HA  ) 1.80 0.00 2.35
assign (resid  56 and name HN  )(resid  86 and name HB# ) 1.80 0.00 2.40
assign (resid  57 and name HN  )(resid  57 and name HA  ) 1.80 0.00 1.62
assign (resid  57 and name HN  )(resid  57 and name HB  ) 1.80 0.00 1.86
assign (resid  57 and name HN  )(resid  57 and name HG* ) 1.80 0.00 2.06 !2
assign (resid  57 and name HA  )(resid  57 and name HB  ) 1.80 0.00 1.10
assign (resid  57 and name HA  )(resid  57 and name HG* ) 1.80 0.00 2.08 !2
assign (resid  57 and name HB  )(resid  57 and name HG* ) 1.80 0.00 1.83 !2
assign (resid  57 and name HA  )(resid  58 and name HN  ) 1.80 0.00 1.10
assign (resid  57 and name HB  )(resid  58 and name HN  ) 1.80 0.00 1.17
assign (resid  57 and name HG* )(resid  58 and name HN  ) 1.80 0.00 2.89 !2
assign (resid  57 and name HG* )(resid  59 and name HN  ) 1.80 0.00 2.76
assign (resid  57 and name HB  )(resid  80 and name HB# ) 1.80 0.00 2.38
assign (resid  57 and name HB  )(resid  81 and name HN  ) 1.80 0.00 2.24
assign (resid  57 and name HG* )(resid  81 and name HN  ) 1.80 0.00 3.79 !2
assign (resid  57 and name HB  )(resid  82 and name HA  ) 1.80 0.00 2.07
assign (resid  57 and name HA  )(resid  83 and name HN  ) 1.80 0.00 1.22
assign (resid  57 and name HA  )(resid  83 and name HB# ) 1.80 0.00 2.37
assign (resid  57 and name HA  )(resid  84 and name HN  ) 1.80 0.00 1.96
assign (resid  57 and name HG* )(resid  84 and name HN  ) 1.80 0.00 3.74
assign (resid  58 and name HN  )(resid  58 and name HB# ) 1.80 0.00 1.97 !2
assign (resid  58 and name HA  )(resid  58 and name HB# ) 1.80 0.00 1.51 !2
assign (resid  58 and name HN  )(resid  59 and name HN  ) 1.80 0.00 2.15
assign (resid  58 and name HA  )(resid  59 and name HN  ) 1.80 0.00 0.96
assign (resid  58 and name HB# )(resid  59 and name HN  ) 1.80 0.00 2.87
assign (resid  58 and name HA  )(resid  60 and name HN  ) 1.80 0.00 1.97
assign (resid  58 and name HN  )(resid  80 and name HB# ) 1.80 0.00 3.47
assign (resid  58 and name HN  )(resid  81 and name HN  ) 1.80 0.00 1.71
assign (resid  58 and name HN  )(resid  81 and name HB# ) 1.80 0.00 2.48 !2
assign (resid  58 and name HB# )(resid  81 and name HN  ) 1.80 0.00 2.74
assign (resid  58 and name HN  )(resid  81 and name HD# ) 1.80 0.00 2.90
assign (resid  58 and name HB# )(resid  81 and name HB# ) 1.80 0.00 2.84
assign (resid  58 and name HB# )(resid  81 and name HD# ) 1.80 0.00 2.21 !2
assign (resid  58 and name HN  )(resid  82 and name HA  ) 1.80 0.00 2.21
assign (resid  58 and name HN  )(resid  83 and name HN  ) 1.80 0.00 2.44
assign (resid  58 and name HN  )(resid  83 and name HG# ) 1.80 0.00 2.55 !2
assign (resid  58 and name HB# )(resid  83 and name HG# ) 1.80 0.00 2.37 !2
assign (resid  58 and name HB# )(resid  83 and name HE  ) 1.80 0.00 2.92
assign (resid  59 and name HN  )(resid  59 and name HA  ) 1.80 0.00 1.83
assign (resid  59 and name HN  )(resid  59 and name HG# ) 1.80 0.00 1.85
assign (resid  59 and name HA  )(resid  59 and name HB# ) 1.80 0.00 1.90
assign (resid  59 and name HB# )(resid  59 and name HG# ) 1.80 0.00 2.50
assign (resid  59 and name HA  )(resid  59 and name HG# ) 1.80 0.00 1.93 !2
assign (resid  59 and name HG# )(resid  59 and name HE# ) 1.80 0.00 2.10 !2
assign (resid  59 and name HB# )(resid  59 and name HE# ) 1.80 0.00 3.36
assign (resid  59 and name HN  )(resid  60 and name HN  ) 1.80 0.00 1.41
assign (resid  59 and name HA  )(resid  60 and name HN  ) 1.80 0.00 1.54
assign (resid  59 and name HA  )(resid  61 and name HN  ) 1.80 0.00 2.22
assign (resid  59 and name HG# )(resid  62 and name HE# ) 1.80 0.00 3.41
assign (resid  59 and name HE# )(resid  65 and name HD* ) 1.80 0.00 3.44
assign (resid  59 and name HE# )(resid  70 and name HA  ) 1.80 0.00 2.90
assign (resid  59 and name HE# )(resid  70 and name HG2#) 1.80 0.00 2.51
assign (resid  59 and name HE# )(resid  70 and name HD# ) 1.80 0.00 2.88 !2
assign (resid  59 and name HE# )(resid  75 and name HA  ) 1.80 0.00 1.74 !2
assign (resid  59 and name HA  )(resid  80 and name HA  ) 1.80 0.00 1.53
assign (resid  59 and name HB# )(resid  80 and name HA  ) 1.80 0.00 2.52
assign (resid  59 and name HA  )(resid  81 and name HN  ) 1.80 0.00 2.13
assign (resid  60 and name HN  )(resid  60 and name HA  ) 1.80 0.00 1.31
assign (resid  60 and name HN  )(resid  60 and name HB# ) 1.80 0.00 1.93 !2
assign (resid  60 and name HA  )(resid  60 and name HB# ) 1.80 0.00 1.55 !2
assign (resid  60 and name HB# )(resid  61 and name HN  ) 1.80 0.00 2.69 !2
assign (resid  61 and name HN  )(resid  61 and name HA  ) 1.80 0.00 1.69
assign (resid  61 and name HN  )(resid  61 and name HB# ) 1.80 0.00 1.97 !2
assign (resid  61 and name HA  )(resid  61 and name HB# ) 1.80 0.00 1.90 !2
assign (resid  61 and name HN  )(resid  62 and name HN  ) 1.80 0.00 1.55
assign (resid  61 and name HA  )(resid  62 and name HN  ) 1.80 0.00 2.10
assign (resid  61 and name HB# )(resid  62 and name HN  ) 1.80 0.00 2.13 !2
assign (resid  61 and name HA  )(resid  62 and name HE# ) 1.80 0.00 3.15 !2
assign (resid  61 and name HB# )(resid  62 and name HE# ) 1.80 0.00 2.80
assign (resid  61 and name HB# )(resid  81 and name HD# ) 1.80 0.00 3.26
assign (resid  62 and name HE# )(resid  65 and name HN  ) 1.80 0.00 2.60
assign (resid  62 and name HE# )(resid  65 and name HB# ) 1.80 0.00 2.60 !2
assign (resid  62 and name HE# )(resid  70 and name HD# ) 1.80 0.00 2.62 !2
assign (resid  63 and name HA  )(resid  63 and name HB# ) 1.80 0.00 1.62
assign (resid  64 and name HD# )(resid  65 and name HB# ) 1.80 0.00 3.01
assign (resid  65 and name HN  )(resid  65 and name HA  ) 1.80 0.00 2.31
assign (resid  65 and name HN  )(resid  65 and name HB# ) 1.80 0.00 2.40 !2
assign (resid  65 and name HN  )(resid  65 and name HG  ) 1.80 0.00 2.55
assign (resid  65 and name HN  )(resid  65 and name HD* ) 1.80 0.00 3.76
assign (resid  65 and name HA  )(resid  65 and name HB# ) 1.80 0.00 1.92 !2
assign (resid  65 and name HA  )(resid  65 and name HD* ) 1.80 0.00 2.35
assign (resid  65 and name HB# )(resid  65 and name HD* ) 1.80 0.00 2.77
assign (resid  65 and name HA  )(resid  66 and name HN  ) 1.80 0.00 1.05
assign (resid  65 and name HB# )(resid  66 and name HN  ) 1.80 0.00 2.10
assign (resid  65 and name HD* )(resid  66 and name HN  ) 1.80 0.00 3.12
assign (resid  65 and name HB# )(resid  70 and name HN  ) 1.80 0.00 2.80
assign (resid  65 and name HD* )(resid  74 and name HD# ) 1.80 0.00 3.73
assign (resid  65 and name HD* )(resid  96 and name HD* ) 1.80 0.00 4.05
assign (resid  66 and name HN  )(resid  66 and name HA  ) 1.80 0.00 1.63
assign (resid  66 and name HN  )(resid  66 and name HB# ) 1.80 0.00 2.05 !2
assign (resid  66 and name HA  )(resid  66 and name HB# ) 1.80 0.00 1.42
assign (resid  66 and name HA  )(resid  67 and name HN  ) 1.80 0.00 1.06
assign (resid  66 and name HB# )(resid  67 and name HN  ) 1.80 0.00 1.42
assign (resid  66 and name HA  )(resid  68 and name HN  ) 1.80 0.00 2.52
assign (resid  66 and name HB# )(resid  68 and name HN  ) 1.80 0.00 2.62
assign (resid  66 and name HN  )(resid  69 and name HB# ) 1.80 0.00 1.84
assign (resid  67 and name HN  )(resid  67 and name HA  ) 1.80 0.00 1.27
assign (resid  67 and name HN  )(resid  67 and name HB# ) 1.80 0.00 1.45 !2
assign (resid  67 and name HA  )(resid  67 and name HB# ) 1.80 0.00 1.53
assign (resid  67 and name HN  )(resid  68 and name HN  ) 1.80 0.00 1.43
assign (resid  67 and name HA  )(resid  68 and name HN  ) 1.80 0.00 1.83
assign (resid  67 and name HB# )(resid  68 and name HN  ) 1.80 0.00 1.95
assign (resid  67 and name HA  )(resid  70 and name HB  ) 1.80 0.00 1.14
assign (resid  67 and name HA  )(resid  70 and name HG2#) 1.80 0.00 2.47
assign (resid  67 and name HA  )(resid  70 and name HD# ) 1.80 0.00 2.02
assign (resid  68 and name HN  )(resid  68 and name HA  ) 1.80 0.00 1.35
assign (resid  68 and name HN  )(resid  68 and name HB# ) 1.80 0.00 1.48 !2
assign (resid  68 and name HA  )(resid  68 and name HB# ) 1.80 0.00 1.52
assign (resid  68 and name HN  )(resid  69 and name HN  ) 1.80 0.00 1.22
assign (resid  68 and name HA  )(resid  69 and name HN  ) 1.80 0.00 1.95
assign (resid  68 and name HB# )(resid  69 and name HN  ) 1.80 0.00 1.89
assign (resid  68 and name HB# )(resid  69 and name HA  ) 1.80 0.00 2.59
assign (resid  68 and name HN  )(resid  70 and name HN  ) 1.80 0.00 2.14
assign (resid  68 and name HB# )(resid  70 and name HN  ) 1.80 0.00 2.84
assign (resid  68 and name HA  )(resid  71 and name HN  ) 1.80 0.00 1.61
assign (resid  68 and name HA  )(resid  71 and name HB# ) 1.80 0.00 1.68
assign (resid  69 and name HN  )(resid  69 and name HA  ) 1.80 0.00 1.47
assign (resid  69 and name HN  )(resid  69 and name HB# ) 1.80 0.00 1.60 !2
assign (resid  69 and name HB# )(resid  69 and name HG# ) 1.80 0.00 2.22 !3
assign (resid  69 and name HA  )(resid  69 and name HB# ) 1.80 0.00 1.69
assign (resid  69 and name HA  )(resid  69 and name HG# ) 1.80 0.00 1.81
assign (resid  69 and name HG# )(resid  69 and name HE# ) 1.80 0.00 2.00 !5
assign (resid  69 and name HA  )(resid  69 and name HE# ) 1.80 0.00 2.97
assign (resid  69 and name HN  )(resid  70 and name HN  ) 1.80 0.00 1.23
assign (resid  69 and name HB# )(resid  70 and name HN  ) 1.80 0.00 2.02
assign (resid  69 and name HA  )(resid  72 and name HB# ) 1.80 0.00 1.71
assign (resid  69 and name HA  )(resid  72 and name HD# ) 1.80 0.00 2.37
assign (resid  69 and name HA  )(resid  74 and name HD# ) 1.80 0.00 1.56
assign (resid  69 and name HB# )(resid  74 and name HD# ) 1.80 0.00 2.31
assign (resid  69 and name HA  )(resid  74 and name HE# ) 1.80 0.00 2.45
assign (resid  69 and name HE# )(resid  96 and name HG  ) 1.80 0.00 2.53 !2
assign (resid  69 and name HB# )(resid  96 and name HD* ) 1.80 0.00 3.79
assign (resid  69 and name HG# )(resid  96 and name HD* ) 1.80 0.00 3.49 !2
assign (resid  69 and name HE# )(resid  96 and name HD* ) 1.80 0.00 3.60 !2
assign (resid  69 and name HE# )(resid  96 and name HA  ) 1.80 0.00 3.20
assign (resid  70 and name HN  )(resid  70 and name HA  ) 1.80 0.00 1.36
assign (resid  70 and name HN  )(resid  70 and name HB  ) 1.80 0.00 0.96
assign (resid  70 and name HN  )(resid  70 and name HG1#) 1.80 0.00 1.50
assign (resid  70 and name HA  )(resid  70 and name HG2#) 1.80 0.00 1.62
assign (resid  70 and name HA  )(resid  70 and name HG1#) 1.80 0.00 1.65 !2
assign (resid  70 and name HG2#)(resid  71 and name HN  ) 1.80 0.00 2.00
assign (resid  70 and name HA  )(resid  73 and name HN  ) 1.80 0.00 1.97
assign (resid  70 and name HA  )(resid  74 and name HN  ) 1.80 0.00 1.59
assign (resid  70 and name HN  )(resid  74 and name HB# ) 1.80 0.00 2.63
assign (resid  70 and name HA  )(resid  74 and name HD# ) 1.80 0.00 3.11
assign (resid  71 and name HN  )(resid  71 and name HA  ) 1.80 0.00 1.20
assign (resid  71 and name HN  )(resid  71 and name HB# ) 1.80 0.00 1.30
assign (resid  71 and name HN  )(resid  71 and name HG# ) 1.80 0.00 2.59
assign (resid  71 and name HA  )(resid  71 and name HB# ) 1.80 0.00 1.38
assign (resid  71 and name HA  )(resid  71 and name HG# ) 1.80 0.00 2.10
assign (resid  71 and name HN  )(resid  72 and name HN  ) 1.80 0.00 1.31
assign (resid  71 and name HA  )(resid  72 and name HN  ) 1.80 0.00 1.47
assign (resid  71 and name HB# )(resid  72 and name HN  ) 1.80 0.00 1.85
assign (resid  71 and name HN  )(resid  73 and name HN  ) 1.80 0.00 2.27
assign (resid  71 and name HB# )(resid  73 and name HN  ) 1.80 0.00 3.08
assign (resid  72 and name HN  )(resid  72 and name HA  ) 1.80 0.00 1.38
assign (resid  72 and name HN  )(resid  72 and name HB# ) 1.80 0.00 1.21
assign (resid  72 and name HN  )(resid  72 and name HG# ) 1.80 0.00 2.35
assign (resid  72 and name HN  )(resid  72 and name HD# ) 1.80 0.00 1.70 !2
assign (resid  72 and name HA  )(resid  72 and name HB# ) 1.80 0.00 1.44
assign (resid  72 and name HA  )(resid  72 and name HG# ) 1.80 0.00 1.68
assign (resid  72 and name HB# )(resid  72 and name HG# ) 1.80 0.00 1.98
assign (resid  72 and name HG# )(resid  72 and name HD# ) 1.80 0.00 1.24
assign (resid  72 and name HG# )(resid  72 and name HE# ) 1.80 0.00 2.61
assign (resid  72 and name HA  )(resid  72 and name HD# ) 1.80 0.00 1.76
assign (resid  72 and name HB# )(resid  72 and name HD# ) 1.80 0.00 1.55
assign (resid  72 and name HD# )(resid  72 and name HE# ) 1.80 0.00 2.10 !2
assign (resid  72 and name HN  )(resid  73 and name HN  ) 1.80 0.00 1.32
assign (resid  72 and name HB# )(resid  73 and name HN  ) 1.80 0.00 2.34
assign (resid  72 and name HD# )(resid  73 and name HN  ) 1.80 0.00 3.13
assign (resid  72 and name HB# )(resid  74 and name HN  ) 1.80 0.00 2.37
assign (resid  72 and name HN  )(resid  74 and name HD# ) 1.80 0.00 2.58
assign (resid  72 and name HB# )(resid  74 and name HD# ) 1.80 0.00 1.93
assign (resid  72 and name HD# )(resid  74 and name HD# ) 1.80 0.00 3.15
assign (resid  72 and name HB# )(resid  74 and name HE# ) 1.80 0.00 1.81
assign (resid  72 and name HD# )(resid  74 and name HE# ) 1.80 0.00 2.53 !2
assign (resid  72 and name HE# )(resid  74 and name HE# ) 1.80 0.00 3.62
assign (resid  72 and name HB# )(resid  74 and name HZ  ) 1.80 0.00 1.95
assign (resid  72 and name HB# )(resid  95 and name HG# ) 1.80 0.00 1.31 !2
assign (resid  73 and name HN  )(resid  73 and name HA# ) 1.80 0.00 1.35
assign (resid  73 and name HN  )(resid  74 and name HN  ) 1.80 0.00 1.20
assign (resid  73 and name HA# )(resid  74 and name HN  ) 1.80 0.00 2.28 !2
assign (resid  74 and name HN  )(resid  74 and name HA  ) 1.80 0.00 1.62
assign (resid  74 and name HN  )(resid  74 and name HB# ) 1.80 0.00 1.58 !2
assign (resid  74 and name HN  )(resid  74 and name HD# ) 1.80 0.00 1.55
assign (resid  74 and name HN  )(resid  74 and name HE# ) 1.80 0.00 2.73
assign (resid  74 and name HA  )(resid  74 and name HB# ) 1.80 0.00 1.93
assign (resid  74 and name HA  )(resid  74 and name HD# ) 1.80 0.00 1.61
assign (resid  74 and name HB# )(resid  74 and name HD# ) 1.80 0.00 1.79 !2
assign (resid  74 and name HA  )(resid  74 and name HE# ) 1.80 0.00 2.86
assign (resid  74 and name HB# )(resid  74 and name HE# ) 1.80 0.00 2.98
assign (resid  74 and name HA  )(resid  75 and name HN  ) 1.80 0.00 1.10
assign (resid  74 and name HD# )(resid  75 and name HN  ) 1.80 0.00 2.24
assign (resid  74 and name HE# )(resid  92 and name HA  ) 1.80 0.00 3.00
assign (resid  74 and name HE# )(resid  92 and name HB# ) 1.80 0.00 2.16 !2
assign (resid  74 and name HZ  )(resid  92 and name HB# ) 1.80 0.00 2.85
assign (resid  74 and name HE# )(resid  95 and name HG# ) 1.80 0.00 2.26 !2
assign (resid  74 and name HZ  )(resid  95 and name HG# ) 1.80 0.00 1.62 !2
assign (resid  74 and name HD# )(resid  96 and name HA  ) 1.80 0.00 3.02
assign (resid  74 and name HD# )(resid  96 and name HD* ) 1.80 0.00 3.16 !2
assign (resid  74 and name HE# )(resid  96 and name HD* ) 1.80 0.00 3.29
assign (resid  74 and name HZ  )(resid  96 and name HA  ) 1.80 0.00 1.78
assign (resid  75 and name HN  )(resid  75 and name HA  ) 1.80 0.00 1.94
assign (resid  75 and name HN  )(resid  75 and name HB  ) 1.80 0.00 2.04
assign (resid  75 and name HN  )(resid  75 and name HG* ) 1.80 0.00 2.92 !2
assign (resid  75 and name HA  )(resid  75 and name HB  ) 1.80 0.00 1.70
assign (resid  75 and name HA  )(resid  75 and name HG* ) 1.80 0.00 2.94 !2
assign (resid  75 and name HB  )(resid  75 and name HG* ) 1.80 0.00 2.50
assign (resid  75 and name HG* )(resid  80 and name HB# ) 1.80 0.00 3.55
assign (resid  80 and name HN  )(resid  80 and name HB# ) 1.80 0.00 2.86 !2
assign (resid  80 and name HA  )(resid  80 and name HB# ) 1.80 0.00 2.07
assign (resid  80 and name HA  )(resid  81 and name HN  ) 1.80 0.00 1.04
assign (resid  80 and name HB# )(resid  81 and name HN  ) 1.80 0.00 2.63
assign (resid  80 and name HA  )(resid  81 and name HD# ) 1.80 0.00 2.74
assign (resid  81 and name HN  )(resid  81 and name HA  ) 1.80 0.00 1.77
assign (resid  81 and name HN  )(resid  81 and name HB# ) 1.80 0.00 1.89 !2
assign (resid  81 and name HN  )(resid  81 and name HD# ) 1.80 0.00 1.93
assign (resid  81 and name HA  )(resid  81 and name HB# ) 1.80 0.00 1.72 !2
assign (resid  81 and name HA  )(resid  81 and name HD# ) 1.80 0.00 1.48
assign (resid  81 and name HB# )(resid  81 and name HD# ) 1.80 0.00 1.76 !2
assign (resid  81 and name HA  )(resid  81 and name HE# ) 1.80 0.00 2.87
assign (resid  81 and name HB# )(resid  81 and name HE# ) 1.80 0.00 3.47
assign (resid  81 and name HA  )(resid  82 and name HD# ) 1.80 0.00 1.46 !2
assign (resid  81 and name HB# )(resid  82 and name HD# ) 1.80 0.00 2.40
assign (resid  81 and name HD# )(resid  82 and name HD# ) 1.80 0.00 2.62 !2
assign (resid  81 and name HD# )(resid  82 and name HG# ) 1.80 0.00 3.38
assign (resid  81 and name HB# )(resid  83 and name HN  ) 1.80 0.00 3.17
assign (resid  82 and name HA  )(resid  82 and name HB# ) 1.80 0.00 1.62 !2
assign (resid  82 and name HD# )(resid  82 and name HG# ) 1.80 0.00 2.40
assign (resid  82 and name HA  )(resid  82 and name HG# ) 1.80 0.00 2.47
assign (resid  82 and name HA  )(resid  83 and name HN  ) 1.80 0.00 1.01
assign (resid  82 and name HB# )(resid  83 and name HN  ) 1.80 0.00 2.33 !2
assign (resid  82 and name HA  )(resid  84 and name HN  ) 1.80 0.00 1.64
assign (resid  82 and name HB# )(resid  84 and name HN  ) 1.80 0.00 2.66
assign (resid  83 and name HN  )(resid  83 and name HA  ) 1.80 0.00 1.82
assign (resid  83 and name HN  )(resid  83 and name HB# ) 1.80 0.00 1.82
assign (resid  83 and name HN  )(resid  83 and name HG# ) 1.80 0.00 2.10
assign (resid  83 and name HA  )(resid  83 and name HB# ) 1.80 0.00 1.94 !2
assign (resid  83 and name HA  )(resid  83 and name HD# ) 1.80 0.00 1.73 !2
assign (resid  83 and name HG# )(resid  83 and name HE  ) 1.80 0.00 2.58
assign (resid  83 and name HD# )(resid  83 and name HE  ) 1.80 0.00 2.11 !2
assign (resid  83 and name HN  )(resid  84 and name HN  ) 1.80 0.00 1.00
assign (resid  83 and name HA  )(resid  84 and name HN  ) 1.80 0.00 1.84
assign (resid  83 and name HB# )(resid  84 and name HN  ) 1.80 0.00 2.52 !2
assign (resid  84 and name HN  )(resid  84 and name HA  ) 1.80 0.00 1.46
assign (resid  84 and name HN  )(resid  84 and name HB# ) 1.80 0.00 2.56 !2
assign (resid  84 and name HA  )(resid  84 and name HB# ) 1.80 0.00 1.43 !2
assign (resid  84 and name HA  )(resid  85 and name HN  ) 1.80 0.00 1.20
assign (resid  84 and name HB# )(resid  85 and name HN  ) 1.80 0.00 1.65 !2
assign (resid  84 and name HN  )(resid  86 and name HB# ) 1.80 0.00 3.18
assign (resid  85 and name HN  )(resid  85 and name HA  ) 1.80 0.00 1.68
assign (resid  85 and name HN  )(resid  85 and name HB# ) 1.80 0.00 1.75 !2
assign (resid  85 and name HA  )(resid  85 and name HB# ) 1.80 0.00 1.80 !2
assign (resid  85 and name HA  )(resid  86 and name HN  ) 1.80 0.00 1.03
assign (resid  85 and name HB# )(resid  86 and name HN  ) 1.80 0.00 2.68
assign (resid  86 and name HN  )(resid  86 and name HA  ) 1.80 0.00 1.69
assign (resid  86 and name HN  )(resid  86 and name HB# ) 1.80 0.00 1.99 !2
assign (resid  86 and name HN  )(resid  86 and name HG  ) 1.80 0.00 1.68
assign (resid  86 and name HA  )(resid  86 and name HB# ) 1.80 0.00 1.74 !2
assign (resid  86 and name HB# )(resid  86 and name HG  ) 1.80 0.00 1.88
assign (resid  86 and name HA  )(resid  87 and name HN  ) 1.80 0.00 1.09
assign (resid  86 and name HB# )(resid  87 and name HN  ) 1.80 0.00 1.88 !2
assign (resid  86 and name HG  )(resid  88 and name HN  ) 1.80 0.00 1.69
assign (resid  87 and name HN  )(resid  87 and name HA  ) 1.80 0.00 1.88
assign (resid  87 and name HN  )(resid  87 and name HB# ) 1.80 0.00 2.07
assign (resid  87 and name HA  )(resid  87 and name HB# ) 1.80 0.00 1.97 !2
assign (resid  87 and name HB# )(resid  87 and name HE# ) 1.80 0.00 2.56
assign (resid  87 and name HA  )(resid  87 and name HG# ) 1.80 0.00 2.07 !2
assign (resid  87 and name HD# )(resid  87 and name HE# ) 1.80 0.00 2.75 !2
assign (resid  87 and name HA  )(resid  88 and name HN  ) 1.80 0.00 0.99
assign (resid  87 and name HG# )(resid  88 and name HN  ) 1.80 0.00 2.34
assign (resid  88 and name HN  )(resid  88 and name HG1#) 1.80 0.00 1.87
assign (resid  88 and name HN  )(resid  88 and name HD# ) 1.80 0.00 2.72
assign (resid  88 and name HG2#)(resid  89 and name HN  ) 1.80 0.00 1.91
assign (resid  88 and name HG2#)(resid  90 and name HN  ) 1.80 0.00 3.38
assign (resid  88 and name HG2#)(resid  90 and name HA  ) 1.80 0.00 2.55
assign (resid  88 and name HG2#)(resid  90 and name HG2#) 1.80 0.00 2.96
assign (resid  89 and name HN  )(resid  89 and name HA  ) 1.80 0.00 1.66
assign (resid  89 and name HN  )(resid  89 and name HB# ) 1.80 0.00 1.68
assign (resid  89 and name HN  )(resid  89 and name HG  ) 1.80 0.00 1.60
assign (resid  89 and name HA  )(resid  89 and name HB# ) 1.80 0.00 1.84 !2
assign (resid  89 and name HA  )(resid  89 and name HG  ) 1.80 0.00 1.91
assign (resid  89 and name HA  )(resid  89 and name HD* ) 1.80 0.00 2.01
assign (resid  89 and name HB# )(resid  89 and name HD* ) 1.80 0.00 1.98 !2
assign (resid  89 and name HN  )(resid  90 and name HN  ) 1.80 0.00 2.38
assign (resid  89 and name HA  )(resid  90 and name HN  ) 1.80 0.00 0.98
assign (resid  89 and name HB# )(resid  90 and name HN  ) 1.80 0.00 2.88
assign (resid  89 and name HD* )(resid  90 and name HN  ) 1.80 0.00 2.47
assign (resid  89 and name HA  )(resid  90 and name HG2#) 1.80 0.00 2.52
assign (resid  89 and name HD* )(resid  92 and name HE# ) 1.80 0.00 3.00 !2
assign (resid  89 and name HB# )(resid  92 and name HE# ) 1.80 0.00 3.40
assign (resid  89 and name HG  )(resid  92 and name HE# ) 1.80 0.00 2.08
assign (resid  90 and name HN  )(resid  90 and name HA  ) 1.80 0.00 1.75
assign (resid  90 and name HN  )(resid  90 and name HG1 ) 1.80 0.00 2.10
assign (resid  90 and name HN  )(resid  90 and name HG2#) 1.80 0.00 1.62
assign (resid  90 and name HB  )(resid  90 and name HG1 ) 1.80 0.00 1.00
assign (resid  90 and name HA  )(resid  90 and name HG2#) 1.80 0.00 1.69
assign (resid  90 and name HA  )(resid  91 and name HN  ) 1.80 0.00 1.37
assign (resid  90 and name HB  )(resid  91 and name HN  ) 1.80 0.00 1.30
assign (resid  90 and name HG1 )(resid  91 and name HN  ) 1.80 0.00 1.98
assign (resid  90 and name HG1 )(resid  91 and name HB# ) 1.80 0.00 2.11 !2
assign (resid  91 and name HN  )(resid  91 and name HA  ) 1.80 0.00 1.30
assign (resid  91 and name HN  )(resid  91 and name HB# ) 1.80 0.00 3.03 !2
assign (resid  91 and name HA  )(resid  91 and name HB# ) 1.80 0.00 1.73 !2
assign (resid  91 and name HA  )(resid  91 and name HD# ) 1.80 0.00 2.36
assign (resid  91 and name HB# )(resid  91 and name HD# ) 1.80 0.00 1.95 !3
assign (resid  91 and name HN  )(resid  92 and name HN  ) 1.80 0.00 1.92
assign (resid  91 and name HA  )(resid  92 and name HN  ) 1.80 0.00 1.63
assign (resid  91 and name HB# )(resid  92 and name HE# ) 1.80 0.00 3.30
assign (resid  92 and name HN  )(resid  92 and name HB# ) 1.80 0.00 1.98
assign (resid  92 and name HN  )(resid  92 and name HG# ) 1.80 0.00 2.20 !2
assign (resid  92 and name HA  )(resid  92 and name HB# ) 1.80 0.00 1.71 !2
assign (resid  92 and name HB# )(resid  92 and name HG# ) 1.80 0.00 2.20 !3
assign (resid  92 and name HA  )(resid  92 and name HG# ) 1.80 0.00 2.30
assign (resid  92 and name HA  )(resid  92 and name HE# ) 1.80 0.00 2.01 !2
assign (resid  92 and name HG# )(resid  92 and name HE# ) 1.80 0.00 1.99 !4
assign (resid  92 and name HB# )(resid  92 and name HE# ) 1.80 0.00 3.51
assign (resid  92 and name HA  )(resid  93 and name HN  ) 1.80 0.00 1.84
assign (resid  92 and name HB# )(resid  93 and name HN  ) 1.80 0.00 2.64
assign (resid  92 and name HA  )(resid  94 and name HN  ) 1.80 0.00 2.13
assign (resid  92 and name HA  )(resid  95 and name HN  ) 1.80 0.00 2.00
assign (resid  92 and name HB# )(resid  95 and name HN  ) 1.80 0.00 2.93
assign (resid  93 and name HN  )(resid  93 and name HA  ) 1.80 0.00 1.71
assign (resid  93 and name HN  )(resid  93 and name HB# ) 1.80 0.00 2.01
assign (resid  93 and name HA  )(resid  93 and name HB# ) 1.80 0.00 2.00
assign (resid  93 and name HA  )(resid  93 and name HG# ) 1.80 0.00 2.19
assign (resid  93 and name HN  )(resid  94 and name HN  ) 1.80 0.00 1.78
assign (resid  93 and name HA  )(resid  94 and name HN  ) 1.80 0.00 2.27
assign (resid  93 and name HB# )(resid  94 and name HG# ) 1.80 0.00 1.96
assign (resid  93 and name HG# )(resid  97 and name HD# ) 1.80 0.00 3.31
assign (resid  94 and name HN  )(resid  94 and name HA  ) 1.80 0.00 1.32
assign (resid  94 and name HN  )(resid  94 and name HB# ) 1.80 0.00 1.57 !2
assign (resid  94 and name HN  )(resid  94 and name HG# ) 1.80 0.00 1.86
assign (resid  94 and name HN  )(resid  95 and name HN  ) 1.80 0.00 1.37
assign (resid  94 and name HA  )(resid  95 and name HN  ) 1.80 0.00 1.73
assign (resid  94 and name HB# )(resid  95 and name HN  ) 1.80 0.00 2.46
assign (resid  94 and name HA  )(resid  96 and name HN  ) 1.80 0.00 1.97
assign (resid  94 and name HA  )(resid  97 and name HN  ) 1.80 0.00 2.27
assign (resid  94 and name HA  )(resid  97 and name HD# ) 1.80 0.00 2.02
assign (resid  95 and name HN  )(resid  95 and name HA  ) 1.80 0.00 1.39
assign (resid  95 and name HN  )(resid  95 and name HB# ) 1.80 0.00 1.76
assign (resid  95 and name HN  )(resid  95 and name HG# ) 1.80 0.00 2.06 !2
assign (resid  95 and name HA  )(resid  95 and name HB# ) 1.80 0.00 1.91
assign (resid  95 and name HB# )(resid  95 and name HG# ) 1.80 0.00 1.33
assign (resid  95 and name HN  )(resid  96 and name HN  ) 1.80 0.00 1.13
assign (resid  95 and name HA  )(resid  96 and name HN  ) 1.80 0.00 1.82
assign (resid  95 and name HN  )(resid  96 and name HB# ) 1.80 0.00 2.67 !2
assign (resid  95 and name HG# )(resid  96 and name HA  ) 1.80 0.00 2.43
assign (resid  95 and name HA  )(resid  97 and name HN  ) 1.80 0.00 2.16
assign (resid  95 and name HG# )(resid  97 and name HE# ) 1.80 0.00 3.40
assign (resid  96 and name HN  )(resid  96 and name HA  ) 1.80 0.00 1.33
assign (resid  96 and name HN  )(resid  96 and name HB# ) 1.80 0.00 1.50 !2
assign (resid  96 and name HN  )(resid  96 and name HD* ) 1.80 0.00 3.41
assign (resid  96 and name HA  )(resid  96 and name HB# ) 1.80 0.00 1.93
assign (resid  96 and name HA  )(resid  96 and name HD* ) 1.80 0.00 2.08 !2
assign (resid  96 and name HB# )(resid  96 and name HD* ) 1.80 0.00 3.21 !2
assign (resid  96 and name HN  )(resid  97 and name HN  ) 1.80 0.00 1.31
assign (resid  96 and name HA  )(resid  97 and name HN  ) 1.80 0.00 1.43
assign (resid  96 and name HB# )(resid  97 and name HN  ) 1.80 0.00 2.43 !2
assign (resid  96 and name HD* )(resid  97 and name HN  ) 1.80 0.00 3.96
assign (resid  96 and name HB# )(resid  97 and name HD# ) 1.80 0.00 3.18 !2
assign (resid  97 and name HN  )(resid  97 and name HA  ) 1.80 0.00 1.57
assign (resid  97 and name HN  )(resid  97 and name HB# ) 1.80 0.00 1.77 !2
assign (resid  97 and name HA  )(resid  97 and name HB# ) 1.80 0.00 1.69
assign (resid  97 and name HA  )(resid  97 and name HD# ) 1.80 0.00 1.83
assign (resid  97 and name HB# )(resid  97 and name HD# ) 1.80 0.00 2.02 !2
assign (resid  97 and name HA  )(resid  97 and name HE# ) 1.80 0.00 2.98
assign (resid  97 and name HB# )(resid  97 and name HE# ) 1.80 0.00 3.41
set echo=true end
set wrnlev=5 end
remarks   Ferredoxin (Synechococcus elongatus)
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign  (resid  52 and name HN  )
       ((resid  57 and name HG* ) or (resid  88 and name HG1#)) 1.8 0.0 3.05 !17
assign  (resid  52 and name HN  )
       ((resid  52 and name HD* ) or (resid  57 and name HG* )) 1.8 0.0 4.08 !24
assign  (resid   7 and name HN  )
       ((resid   5 and name HG* ) or (resid   7 and name HD* )
     or (resid   8 and name HG* ))                              1.8 0.0 3.67 !70
assign ((resid  88 and name HN  ) or (resid  89 and name HN  ))
        (resid  88 and name HA  )                               1.8 0.0 3.57 !76
assign ((resid  88 and name HN  ) or (resid  89 and name HN  ))
        (resid   8 and name HB  )                               1.8 0.0 3.64 !80
assign ((resid  88 and name HN  ) or (resid  89 and name HN  ))
        (resid   8 and name HG* )                               1.8 0.0 4.87 !85
assign  (resid  89 and name HN  )
       ((resid  53 and name HD* ) or (resid  89 and name HD* )) 1.8 0.0 3.22 !86
assign  (resid   8 and name HN  )
       ((resid   7 and name HB# ) or (resid  90 and name HG2#)) 1.8 0.0 2.47 !101
assign  (resid  51 and name HN  )
       ((resid  51 and name HA  ) or (resid  88 and name HA  )) 1.8 0.0 2.83 !107
assign ((resid   8 and name HN  ) or (resid  51 and name HN  ))
       ((resid  89 and name HD* ) or (resid  53 and name HD* )) 1.8 0.0 4.25 !115
assign  (resid  81 and name HN  )
       ((resid  24 and name HA  ) or (resid  82 and name HA  )) 1.8 0.0 3.46 !143
assign  (resid  53 and name HN  )
       ((resid  53 and name HD* ) or (resid  89 and name HD* )) 1.8 0.0 3.82 !164
assign  (resid  66 and name HN  )
       ((resid  65 and name HB# ) or (resid  69 and name HB# )) 1.8 0.0 2.60 !222
assign ((resid  69 and name HN  ) or (resid  75 and name HN  ))
       ((resid  68 and name HB# ) or (resid  74 and name HB# )) 1.8 0.0 2.24 !228
assign  (resid  30 and name HN  )
       ((resid  26 and name HA  ) or (resid  28 and name HA  )) 1.8 0.0 2.90 !238
assign ((resid   3 and name HN  ) or (resid  21 and name HN  ))
       ((resid   2 and name HG2#) or (resid  19 and name HG* )) 1.8 0.0 3.22 !366
assign  (resid  22 and name HN  )
       ((resid  21 and name HB# ) or (resid  23 and name HG# )) 1.8 0.0 2.94 !404
assign ((resid  31 and name HN  ) or (resid  33 and name HN  ))
        (resid  29 and name HB# )                               1.8 0.0 4.14 !428
assign ((resid  32 and name HN  ) or (resid  73 and name HN  ))
       ((resid  17 and name HG2#) or (resid  51 and name HG# )) 1.8 0.0 4.90 !443
assign ((resid  32 and name HN  ) or (resid  73 and name HN  ))
       ((resid  17 and name HD# ) or (resid  51 and name HG# )) 1.8 0.0 4.90 !444
assign ((resid  32 and name HN  ) or (resid  73 and name HN  ))
       ((resid  34 and name HG  ) or (resid  70 and name HG1#)) 1.8 0.0 4.29 !449
assign  (resid  74 and name HN  )
       ((resid  69 and name HA  ) or (resid  71 and name HA  )) 1.8 0.0 3.19 !459
assign  (resid  95 and name HN  )
       ((resid  93 and name HA  ) or (resid  96 and name HA  )) 1.8 0.0 2.99 !479
assign  (resid  84 and name HN  )
       ((resid  82 and name HG# ) or (resid  86 and name HG  )) 1.8 0.0 2.63 !495
assign  (resid  54 and name HN  )
       ((resid  52 and name HB# ) or (resid  87 and name HB# )) 1.8 0.0 3.03 !523
assign ((resid  11 and name HN  ) or (resid  56 and name HN  ))
       ((resid  10 and name HD# ) or (resid  55 and name HA# )) 1.8 0.0 2.67 !536
assign ((resid  62 and name HE# ) or (resid  64 and name HD# ))
        (resid  61 and name HB# )                               1.8 0.0 3.37 !548
assign ((resid  62 and name HE# ) or (resid  64 and name HD# ))
        (resid  59 and name HG# )                               1.8 0.0 4.18 !549
assign ((resid   9 and name HE  ) or (resid  91 and name HD# ))
       ((resid  36 and name HA  ) or (resid  90 and name HA  )) 1.8 0.0 4.62 !555
assign ((resid   9 and name HE  ) or (resid  28 and name HN  )
     or (resid  91 and name HD# ))
       ((resid   7 and name HB# ) or (resid  90 and name HG2#)
     or (resid  19 and name HG* ))                              1.8 0.0 4.91 !560
assign ((resid  28 and name HN  ) or (resid  91 and name HD# ))
       ((resid  27 and name HB# ) or (resid  91 and name HB# )) 1.8 0.0 3.51 !564
assign ((resid  59 and name HE# ) or (resid  69 and name HE# ))
       ((resid  74 and name HB# ) or (resid  69 and name HG# )) 1.8 0.0 3.82 !621
assign ((resid  59 and name HE# ) or (resid  69 and name HE# ))
       ((resid  57 and name HG* ) or (resid  65 and name HD* )) 1.8 0.0 4.77 !631
assign ((resid  69 and name HE# ) or (resid  74 and name HZ  ))
        (resid  96 and name HD* )                               1.8 0.0 5.33 !633
assign ((resid  69 and name HE# ) or (resid  74 and name HZ  ))
        (resid  96 and name HD* )                               1.8 0.0 3.88 !634
assign ((resid  81 and name HD# ) or (resid  92 and name HE# ))
       ((resid  23 and name HG# ) or (resid  95 and name HB# )) 1.8 0.0 4.78 !663
assign ((resid  81 and name HD# ) or (resid  92 and name HE# ))
       ((resid  23 and name HB# ) or (resid  83 and name HG# )
     or (resid  89 and name HG  ))                              1.8 0.0 4.48 !664
assign ((resid  26 and name HN  ) or (resid  81 and name HD# ))
        (resid  19 and name HG* )                               1.8 0.0 4.91 !669
assign ((resid  59 and name HE# ) or (resid  97 and name HE# ))
       ((resid  88 and name HG2#) or (resid  96 and name HD* )) 1.8 0.0 6.31 !782
assign ((resid  24 and name HD# ) or (resid  80 and name HN  ))
        (resid  80 and name HA  )                               1.8 0.0 4.41 !878
assign  (resid  69 and name HE# )
       ((resid  65 and name HA  ) or (resid  97 and name HA  )) 1.8 0.0 4.32 !885
set echo=true end
set wrnlev=5 end

remarks   Ferredoxin (Synechococcus elongatus)
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign  (resid   9 and name HN  )
       ((resid  12 and name HN  ) or (resid  15 and name HN  )) 1.8 0.0 2.93 !28
assign ((resid  12 and name HN  ) or (resid  57 and name HN  ))
       ((resid  11 and name HN  ) or (resid  56 and name HN  )) 1.8 0.0 2.77 !53
assign ((resid   3 and name HN  ) or (resid  21 and name HN  ))
        (resid   3 and name HE# )                               1.8 0.0 3.77 !65
assign ((resid  62 and name HE# ) or (resid  64 and name HD# ))
        (resid  64 and name HE# )                               1.8 0.0 2.52 !107
assign ((resid   9 and name HE  ) or (resid  91 and name HD# ))
        (resid  90 and name HG1 )                               1.8 0.0 2.97 !113
assign  (resid  74 and name HD# )
       ((resid  59 and name HE# ) or (resid  74 and name HZ  )) 1.8 0.0 2.75 !120
set echo=true end
set wrnlev=5 end
remarks   Ferredoxin (Synechococcus elongatus)
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign ((resid  54 and name HG# ) or (resid  92 and name HG# ))
       ((resid  54 and name HA  ) or (resid  92 and name HA  )) 1.8 0.0 3.17 !235
assign ((resid   9 and name HB# ) or (resid  10 and name HG# ))
        (resid  10 and name HD# )                               1.8 0.0 3.06 !264
assign ((resid   9 and name HB# ) or (resid  10 and name HG# ))
        (resid  10 and name HD# )                               1.8 0.0 3.05 !265
assign ((resid   9 and name HG# ) or (resid  83 and name HB# ))
       ((resid   9 and name HD# ) or (resid  83 and name HD# )) 1.8 0.0 3.88 !288
assign ((resid   4 and name HD# ) or (resid   9 and name HG# ))
       ((resid   4 and name HE# ) or (resid   9 and name HD# )) 1.8 0.0 3.56 !329
assign ((resid  52 and name HB# ) or (resid  52 and name HG  ))
        (resid  52 and name HA  )                               1.8 0.0 2.83 !416
assign ((resid   7 and name HB# ) or (resid  19 and name HG* ))
       ((resid  14 and name HA  ) or (resid  81 and name HA  )) 1.8 0.0 5.95 !451
assign ((resid   7 and name HB# ) or (resid  19 and name HG* ))
       ((resid   7 and name HG  ) or (resid  23 and name HB# )) 1.8 0.0 4.05 !452
assign ((resid   6 and name HG2#) or (resid  25 and name HG1#))
       ((resid  14 and name HA  ) or (resid  81 and name HA  )) 1.8 0.0 4.63 !472
assign ((resid  96 and name HB# ) or (resid  96 and name HG  ))
        (resid  96 and name HA  )                               1.8 0.0 2.35 !496
assign  (resid  70 and name HG2#)
       ((resid  69 and name HA  ) or (resid  71 and name HA  )) 1.8 0.0 3.49 !501
assign  (resid   5 and name HG* )
       ((resid  82 and name HG# ) or (resid  86 and name HG  )) 1.8 0.0 3.86 !509
assign ((resid   2 and name HG2#) or (resid  19 and name HG* ))
        (resid  18 and name HB# )                               1.8 0.0 3.82 !512
assign  (resid  19 and name HG* )
       ((resid  20 and name HD# ) or (resid  82 and name HD# )) 1.8 0.0 4.55 !516
assign ((resid  34 and name HD* ) or (resid  89 and name HD* ))
       ((resid  32 and name HA  ) or (resid  10 and name HA  )) 1.8 0.0 5.65 !541
assign ((resid  34 and name HD* ) or (resid  53 and name HD* )
     or (resid  89 and name HD* ))
       ((resid  35 and name HB# ) or (resid  87 and name HE# )
     or (resid  92 and name HB# ))                              1.8 0.0 7.55 !547
assign ((resid  53 and name HD* ) or (resid  89 and name HD* ))
       ((resid  53 and name HG  ) or (resid  89 and name HG  )) 1.8 0.0 3.41 !549
assign ((resid  17 and name HG2#) or (resid  51 and name HG# ))
       ((resid  32 and name HG# ) or (resid  51 and name HE# )) 1.8 0.0 3.82 !568
assign ((resid   5 and name HG* ) or (resid  88 and name HG1#))
        (resid  87 and name HA  )                               1.8 0.0 5.23 !580
assign ((resid   5 and name HG* ) or (resid   8 and name HG* )
     or (resid  88 and name HG1#))
       ((resid  86 and name HB# ) or (resid  87 and name HE# )) 1.8 0.0 6.09 !583
assign ((resid   5 and name HG* ) or (resid   8 and name HG* ))
       ((resid  25 and name HG1#) or (resid   6 and name HG2#)) 1.8 0.0 4.33 !587
assign ((resid   5 and name HG* ) or (resid  57 and name HG* )
     or (resid  88 and name HG1#))
        (resid  86 and name HB# )                               1.8 0.0 6.28 !592
assign ((resid  52 and name HD* ) or (resid  57 and name HG* ))
       ((resid  52 and name HB# ) or (resid  52 and name HG  )) 1.8 0.0 4.08 !597
assign  (resid   7 and name HD* )
       ((resid   7 and name HB# ) or (resid  90 and name HG2#)) 1.8 0.0 3.53 !598
assign ((resid  25 and name HG2#) or (resid  52 and name HD* ))
       ((resid  29 and name HB# ) or (resid  88 and name HG1#)) 1.8 0.0 3.29 !600
assign ((resid  52 and name HD* ) or (resid  53 and name HD* )
     or (resid  70 and name HD# ))
       ((resid  86 and name HG  ) or (resid  51 and name HE# )
     or (resid  59 and name HG# ))                              1.8 0.0 6.29 !602
assign ((resid  25 and name HG2#) or (resid  52 and name HD* ))
       ((resid  25 and name HB  ) or (resid  52 and name HB# )) 1.8 0.0 3.63 !603
assign ((resid  25 and name HG2#) or (resid  53 and name HD* ))
       ((resid   7 and name HG  ) or (resid  89 and name HG  )) 1.8 0.0 3.28 !604
assign ((resid  25 and name HD# ) or (resid  57 and name HG* ))
        (resid  82 and name HA  )                               1.8 0.0 5.11 !632
assign ((resid  25 and name HD# ) or (resid  52 and name HD* )
     or (resid  57 and name HG* ))
       ((resid  25 and name HB  ) or (resid  52 and name HB# )) 1.8 0.0 5.04 !637
assign ((resid  25 and name HD# ) or (resid  57 and name HG* ))
        (resid  80 and name HB# )                               1.8 0.0 4.01 !638
assign  (resid  65 and name HD* )
       ((resid  69 and name HG# ) or (resid  74 and name HB# )) 1.8 0.0 4.31 !642
assign  (resid   7 and name HD* )
       ((resid   7 and name HB# ) or (resid  90 and name HG2#)) 1.8 0.0 3.37 !650
assign ((resid  51 and name HG# ) or (resid  88 and name HD# ))
       ((resid  51 and name HE# ) or (resid  86 and name HG  )) 1.8 0.0 4.26 !658
assign  (resid  88 and name HG2#)
       ((resid  52 and name HA  ) or (resid  73 and name HA# )) 1.8 0.0 3.94 !677
assign  (resid  88 and name HG2#)
       ((resid  52 and name HB# ) or (resid  52 and name HG  )) 1.8 0.0 3.32 !680
assign  (resid  88 and name HG2#)
       ((resid  75 and name HG* ) or (resid  88 and name HD# )) 1.8 0.0 2.89 !684
assign  (resid  96 and name HD* )
       ((resid  96 and name HB# ) or (resid  96 and name HG  )) 1.8 0.0 3.88 !687
assign  (resid  96 and name HD* )
       ((resid  96 and name HB# ) or (resid  96 and name HG  )) 1.8 0.0 3.64 !693
set echo=true end
set wrnlev=5 end
! 'R41  D3        C78  B2          1.731 <1.8

remarks   Ferredoxin (Synechococcus elongatus)
remarks   No pseudoatoms are used.
set echo=false end
set wrnlev=0 end
assign (resid  37 and name HA  )(resid  47 and name HG2#) 1.80 0.00 3.60
assign (resid  37 and name HB2 )(resid  47 and name HA  ) 1.80 0.00 3.15
assign (resid  37 and name HB2 )(resid  47 and name HG2#) 1.80 0.00 2.56
assign (resid  37 and name HB1 )(resid  47 and name HG2#) 1.80 0.00 2.64
assign (resid  37 and name HD1 )(resid  48 and name HA  ) 1.80 0.00 2.62
assign (resid  37 and name HA  )(resid  48 and name HB1 ) 1.80 0.00 3.19
assign (resid  37 and name HB2 )(resid  48 and name HN  ) 1.80 0.00 2.80
assign (resid  37 and name HB2 )(resid  48 and name HA  ) 1.80 0.00 0.76
assign (resid  37 and name HB2 )(resid  48 and name HB2 ) 1.80 0.00 2.51
assign (resid  37 and name HB2 )(resid  48 and name HB1 ) 1.80 0.00 1.91
assign (resid  37 and name HB1 )(resid  48 and name HA  ) 1.80 0.00 2.38
assign (resid  37 and name HB1 )(resid  48 and name HB1 ) 1.80 0.00 3.18
assign (resid  37 and name HG2 )(resid  48 and name HA  ) 1.80 0.00 2.48
assign (resid  37 and name HB2 )(resid  49 and name HN  ) 1.80 0.00 2.39
assign (resid  37 and name HG2 )(resid  49 and name HN  ) 1.80 0.00 3.12
assign (resid  38 and name HA  )(resid  40 and name HN  ) 1.80 0.00 2.91
assign (resid  38 and name HB2 )(resid  40 and name HN  ) 1.80 0.00 2.96
assign (resid  38 and name HA  )(resid  41 and name HN  ) 1.80 0.00 2.92
assign (resid  38 and name HB2 )(resid  41 and name HN  ) 1.80 0.00 1.89
assign (resid  38 and name HB2 )(resid  41 and name HA  ) 1.80 0.00 1.97
assign (resid  38 and name HB2 )(resid  41 and name HB2 ) 1.80 0.00 2.05
assign (resid  38 and name HB2 )(resid  41 and name HD1 ) 1.80 0.00 2.11
assign (resid  38 and name HB2 )(resid  41 and name HE  ) 1.80 0.00 0.98
assign (resid  38 and name HB2 )(resid  41 and name HH1#) 1.80 0.00 3.28
assign (resid  38 and name HB1 )(resid  41 and name HD1 ) 1.80 0.00 2.84
assign (resid  38 and name HB1 )(resid  41 and name HE  ) 1.80 0.00 1.86
assign (resid  38 and name HD1 )(resid  41 and name HE  ) 1.80 0.00 2.98
assign (resid  38 and name HD1 )(resid  41 and name HH1#) 1.80 0.00 3.75
assign (resid  38 and name HD2 )(resid  41 and name HN  ) 1.80 0.00 2.61
assign (resid  38 and name HD2 )(resid  41 and name HA  ) 1.80 0.00 2.85
assign (resid  38 and name HD2 )(resid  41 and name HB2 ) 1.80 0.00 1.46
assign (resid  38 and name HD2 )(resid  41 and name HB1 ) 1.80 0.00 3.14
assign (resid  38 and name HD2 )(resid  41 and name HD1 ) 1.80 0.00 2.90
assign (resid  38 and name HD2 )(resid  41 and name HE  ) 1.80 0.00 0.81
assign (resid  38 and name HD2 )(resid  41 and name HH1#) 1.80 0.00 1.59
assign (resid  38 and name HE1 )(resid  41 and name HH1#) 1.80 0.00 2.99
assign (resid  38 and name HE2 )(resid  41 and name HB2 ) 1.80 0.00 2.87
assign (resid  38 and name HE2 )(resid  41 and name HE  ) 1.80 0.00 2.09
assign (resid  38 and name HE2 )(resid  41 and name HH1#) 1.80 0.00 0.64
assign (resid  38 and name HZ  )(resid  41 and name HH1#) 1.80 0.00 1.72
assign (resid  38 and name HN  )(resid  47 and name HG2#) 1.80 0.00 1.90
assign (resid  38 and name HA  )(resid  47 and name HB  ) 1.80 0.00 3.16
assign (resid  38 and name HA  )(resid  47 and name HG2#) 1.80 0.00 0.70
assign (resid  38 and name HB2 )(resid  47 and name HG2#) 1.80 0.00 3.52
assign (resid  38 and name HB1 )(resid  47 and name HG2#) 1.80 0.00 3.58
assign (resid  38 and name HN  )(resid  48 and name HB1 ) 1.80 0.00 2.59
assign (resid  38 and name HA  )(resid  48 and name HN  ) 1.80 0.00 1.66
assign (resid  38 and name HA  )(resid  48 and name HA  ) 1.80 0.00 2.28
assign (resid  38 and name HA  )(resid  48 and name HB2 ) 1.80 0.00 2.40
assign (resid  38 and name HA  )(resid  48 and name HB1 ) 1.80 0.00 0.63
assign (resid  38 and name HB2 )(resid  48 and name HB1 ) 1.80 0.00 1.93
assign (resid  38 and name HB1 )(resid  48 and name HB2 ) 1.80 0.00 2.29
assign (resid  38 and name HB1 )(resid  48 and name HB1 ) 1.80 0.00 1.08
assign (resid  38 and name HD1 )(resid  48 and name HB1 ) 1.80 0.00 2.91
assign (resid  38 and name HA  )(resid  78 and name HB1 ) 1.80 0.00 2.71
assign (resid  38 and name HB2 )(resid  78 and name HB2 ) 1.80 0.00 2.33
assign (resid  38 and name HB2 )(resid  78 and name HB1 ) 1.80 0.00 1.68
assign (resid  38 and name HB1 )(resid  78 and name HB2 ) 1.80 0.00 2.53
assign (resid  38 and name HB1 )(resid  78 and name HB1 ) 1.80 0.00 1.43
assign (resid  39 and name HN  )(resid  41 and name HN  ) 1.80 0.00 1.21
assign (resid  39 and name HN  )(resid  41 and name HA  ) 1.80 0.00 2.73
assign (resid  39 and name HN  )(resid  41 and name HB2 ) 1.80 0.00 2.91
assign (resid  39 and name HN  )(resid  41 and name HE  ) 1.80 0.00 3.04
assign (resid  39 and name HB2 )(resid  41 and name HN  ) 1.80 0.00 2.39
assign (resid  39 and name HN  )(resid  45 and name HB1 ) 1.80 0.00 2.86
assign (resid  39 and name HB2 )(resid  45 and name HB2 ) 1.80 0.00 2.22
assign (resid  39 and name HB2 )(resid  45 and name HB1 ) 1.80 0.00 1.82
assign (resid  39 and name HN  )(resid  47 and name HG2#) 1.80 0.00 1.47
assign (resid  39 and name HA  )(resid  47 and name HG2#) 1.80 0.00 2.88
assign (resid  39 and name HB2 )(resid  47 and name HN  ) 1.80 0.00 2.91
assign (resid  39 and name HB2 )(resid  47 and name HB  ) 1.80 0.00 2.38
assign (resid  39 and name HB2 )(resid  47 and name HG2#) 1.80 0.00 1.16
assign (resid  39 and name HB1 )(resid  47 and name HG2#) 1.80 0.00 2.66
assign (resid  39 and name HN  )(resid  48 and name HN  ) 1.80 0.00 2.63
assign (resid  39 and name HN  )(resid  48 and name HB1 ) 1.80 0.00 2.56
assign (resid  40 and name HN  )(resid  42 and name HN  ) 1.80 0.00 2.52
assign (resid  40 and name HA  )(resid  42 and name HN  ) 1.80 0.00 2.06
assign (resid  40 and name HA  )(resid  42 and name HB# ) 1.80 0.00 3.07
assign (resid  40 and name HB2 )(resid  42 and name HN  ) 1.80 0.00 0.84
assign (resid  40 and name HB2 )(resid  42 and name HA  ) 1.80 0.00 3.01
assign (resid  40 and name HB2 )(resid  42 and name HB# ) 1.80 0.00 0.72
assign (resid  40 and name HB1 )(resid  42 and name HN  ) 1.80 0.00 2.04
assign (resid  40 and name HB1 )(resid  42 and name HB# ) 1.80 0.00 2.75
assign (resid  40 and name HB2 )(resid  43 and name HN  ) 1.80 0.00 2.58
assign (resid  40 and name HB2 )(resid  44 and name HN  ) 1.80 0.00 2.01
assign (resid  40 and name HB2 )(resid  44 and name HB# ) 1.80 0.00 1.58
assign (resid  40 and name HB1 )(resid  44 and name HN  ) 1.80 0.00 2.81
assign (resid  40 and name HB1 )(resid  44 and name HB# ) 1.80 0.00 1.86
assign (resid  40 and name HN  )(resid  45 and name HB2 ) 1.80 0.00 2.08
assign (resid  40 and name HN  )(resid  45 and name HB1 ) 1.80 0.00 1.64
assign (resid  40 and name HB2 )(resid  45 and name HN  ) 1.80 0.00 3.00
assign (resid  40 and name HB2 )(resid  45 and name HB2 ) 1.80 0.00 2.40
assign (resid  40 and name HB2 )(resid  45 and name HB1 ) 1.80 0.00 2.87
assign (resid  40 and name HB1 )(resid  45 and name HN  ) 1.80 0.00 2.77
assign (resid  40 and name HB1 )(resid  45 and name HB2 ) 1.80 0.00 1.10
assign (resid  40 and name HB1 )(resid  45 and name HB1 ) 1.80 0.00 1.74
assign (resid  40 and name HN  )(resid  47 and name HG2#) 1.80 0.00 2.41
assign (resid  41 and name HN  )(resid  43 and name HN  ) 1.80 0.00 2.25
assign (resid  41 and name HA  )(resid  43 and name HN  ) 1.80 0.00 2.49
assign (resid  41 and name HN  )(resid  45 and name HB1 ) 1.80 0.00 2.73
assign (resid  41 and name HN  )(resid  78 and name HB2 ) 1.80 0.00 2.99
assign (resid  41 and name HN  )(resid  78 and name HB1 ) 1.80 0.00 3.03
assign (resid  41 and name HA  )(resid  78 and name HB2 ) 1.80 0.00 1.09
assign (resid  41 and name HA  )(resid  78 and name HB1 ) 1.80 0.00 1.84
assign (resid  41 and name HB2 )(resid  78 and name HB2 ) 1.80 0.00 2.70
assign (resid  41 and name HG2 )(resid  78 and name HB2 ) 1.80 0.00 2.92
assign (resid  41 and name HG1 )(resid  78 and name HB2 ) 1.80 0.00 2.10
assign (resid  41 and name HD2 )(resid  78 and name HA  ) 1.80 0.00 2.64
assign (resid  41 and name HD2 )(resid  78 and name HB2 ) 1.80 0.00 1.11
assign (resid  41 and name HD2 )(resid  78 and name HB1 ) 1.80 0.00 2.67
assign (resid  41 and name HD1 )(resid  78 and name HA  ) 1.80 0.00 2.15
assign (resid  41 and name HD1 )(resid  78 and name HB2 ) 1.80 0.00 0.00
assign (resid  41 and name HD1 )(resid  78 and name HB1 ) 1.80 0.00 1.33
assign (resid  41 and name HE  )(resid  78 and name HB2 ) 1.80 0.00 1.76
assign (resid  41 and name HE  )(resid  78 and name HB1 ) 1.80 0.00 2.31
assign (resid  41 and name HH2#)(resid  78 and name HB2 ) 1.80 0.00 3.42
assign (resid  42 and name HN  )(resid  44 and name HN  ) 1.80 0.00 1.59
assign (resid  42 and name HN  )(resid  44 and name HB# ) 1.80 0.00 3.45
assign (resid  42 and name HA  )(resid  44 and name HN  ) 1.80 0.00 2.20
assign (resid  42 and name HA  )(resid  44 and name HB# ) 1.80 0.00 4.06
assign (resid  42 and name HB# )(resid  44 and name HN  ) 1.80 0.00 0.98
assign (resid  42 and name HB# )(resid  44 and name HA  ) 1.80 0.00 3.19
assign (resid  42 and name HB# )(resid  44 and name HB# ) 1.80 0.00 1.25
assign (resid  42 and name HN  )(resid  45 and name HN  ) 1.80 0.00 2.92
assign (resid  42 and name HA  )(resid  79 and name HG2#) 1.80 0.00 3.43
assign (resid  43 and name HN  )(resid  45 and name HN  ) 1.80 0.00 1.43
assign (resid  43 and name HN  )(resid  45 and name HB1 ) 1.80 0.00 3.08
assign (resid  43 and name HA2 )(resid  45 and name HN  ) 1.80 0.00 1.74
assign (resid  43 and name HA1 )(resid  45 and name HN  ) 1.80 0.00 2.73
assign (resid  43 and name HA2 )(resid  63 and name HN  ) 1.80 0.00 1.56
assign (resid  43 and name HA1 )(resid  63 and name HN  ) 1.80 0.00 0.51
assign (resid  43 and name HA1 )(resid  63 and name HB1 ) 1.80 0.00 2.67
assign (resid  43 and name HA2 )(resid  64 and name HN  ) 1.80 0.00 2.13
assign (resid  43 and name HA2 )(resid  64 and name HB2 ) 1.80 0.00 2.90
assign (resid  43 and name HA2 )(resid  64 and name HB1 ) 1.80 0.00 2.92
assign (resid  43 and name HA1 )(resid  64 and name HN  ) 1.80 0.00 2.11
assign (resid  43 and name HN  )(resid  76 and name HB1 ) 1.80 0.00 3.17
assign (resid  43 and name HN  )(resid  76 and name HD1#) 1.80 0.00 3.29
assign (resid  43 and name HA2 )(resid  76 and name HB2 ) 1.80 0.00 2.67
assign (resid  43 and name HA2 )(resid  76 and name HB1 ) 1.80 0.00 1.80
assign (resid  43 and name HA2 )(resid  76 and name HD1#) 1.80 0.00 0.67
assign (resid  43 and name HA2 )(resid  76 and name HD2#) 1.80 0.00 3.38
assign (resid  43 and name HA1 )(resid  76 and name HD1#) 1.80 0.00 2.24
assign (resid  43 and name HN  )(resid  79 and name HB  ) 1.80 0.00 2.49
assign (resid  43 and name HN  )(resid  79 and name HG2#) 1.80 0.00 3.98
assign (resid  43 and name HA2 )(resid  79 and name HB  ) 1.80 0.00 2.22
assign (resid  43 and name HA2 )(resid  79 and name HG1#) 1.80 0.00 2.77
assign (resid  43 and name HA2 )(resid  79 and name HG2#) 1.80 0.00 3.60
assign (resid  43 and name HA1 )(resid  79 and name HB  ) 1.80 0.00 2.56
assign (resid  43 and name HA1 )(resid  79 and name HG1#) 1.80 0.00 3.28
assign (resid  43 and name HA1 )(resid  79 and name HG2#) 1.80 0.00 2.92
assign (resid  44 and name HN  )(resid  63 and name HN  ) 1.80 0.00 2.71
assign (resid  44 and name HA  )(resid  63 and name HN  ) 1.80 0.00 2.63
assign (resid  44 and name HA  )(resid  63 and name HB2 ) 1.80 0.00 2.46
assign (resid  44 and name HA  )(resid  63 and name HB1 ) 1.80 0.00 2.81
assign (resid  44 and name HN  )(resid  64 and name HN  ) 1.80 0.00 3.08
assign (resid  44 and name HN  )(resid  64 and name HB2 ) 1.80 0.00 2.90
assign (resid  44 and name HA  )(resid  64 and name HN  ) 1.80 0.00 2.00
assign (resid  44 and name HA  )(resid  64 and name HA  ) 1.80 0.00 2.76
assign (resid  44 and name HA  )(resid  64 and name HB2 ) 1.80 0.00 1.34
assign (resid  44 and name HA  )(resid  64 and name HB1 ) 1.80 0.00 2.97
assign (resid  44 and name HA  )(resid  64 and name HD2 ) 1.80 0.00 1.95
assign (resid  44 and name HB# )(resid  64 and name HD2 ) 1.80 0.00 3.96
assign (resid  45 and name HA  )(resid  47 and name HN  ) 1.80 0.00 2.74
assign (resid  45 and name HB2 )(resid  47 and name HN  ) 1.80 0.00 2.63
assign (resid  45 and name HB1 )(resid  47 and name HN  ) 1.80 0.00 1.47
assign (resid  45 and name HB1 )(resid  47 and name HB  ) 1.80 0.00 2.90
assign (resid  45 and name HB1 )(resid  47 and name HG2#) 1.80 0.00 2.76
assign (resid  45 and name HB1 )(resid  48 and name HN  ) 1.80 0.00 2.60
assign (resid  45 and name HN  )(resid  64 and name HN  ) 1.80 0.00 2.83
assign (resid  45 and name HN  )(resid  64 and name HB2 ) 1.80 0.00 1.58
assign (resid  45 and name HN  )(resid  64 and name HB1 ) 1.80 0.00 2.34
assign (resid  45 and name HN  )(resid  64 and name HD2 ) 1.80 0.00 2.39
assign (resid  45 and name HA  )(resid  64 and name HB2 ) 1.80 0.00 1.84
assign (resid  45 and name HA  )(resid  64 and name HB1 ) 1.80 0.00 2.69
assign (resid  45 and name HA  )(resid  64 and name HD2 ) 1.80 0.00 0.87
assign (resid  45 and name HA  )(resid  64 and name HE2 ) 1.80 0.00 1.66
assign (resid  45 and name HB2 )(resid  64 and name HD2 ) 1.80 0.00 3.08
assign (resid  45 and name HN  )(resid  76 and name HD1#) 1.80 0.00 3.35
assign (resid  45 and name HN  )(resid  76 and name HD2#) 1.80 0.00 3.66
assign (resid  46 and name HN  )(resid  48 and name HN  ) 1.80 0.00 3.19
assign (resid  46 and name HA  )(resid  48 and name HN  ) 1.80 0.00 2.38
assign (resid  46 and name HA  )(resid  49 and name HA  ) 1.80 0.00 3.19
assign (resid  46 and name HA  )(resid  49 and name HB# ) 1.80 0.00 2.57
assign (resid  46 and name HB2 )(resid  49 and name HB# ) 1.80 0.00 2.75
assign (resid  46 and name HN  )(resid  64 and name HD2 ) 1.80 0.00 2.76
assign (resid  46 and name HN  )(resid  64 and name HE2 ) 1.80 0.00 2.59
assign (resid  46 and name HA  )(resid  64 and name HB1 ) 1.80 0.00 2.93
assign (resid  46 and name HB1 )(resid  64 and name HD1 ) 1.80 0.00 2.66
assign (resid  46 and name HB1 )(resid  64 and name HE1 ) 1.80 0.00 1.97
assign (resid  46 and name HB1 )(resid  64 and name HE2 ) 1.80 0.00 2.85
assign (resid  46 and name HB1 )(resid  64 and name HZ  ) 1.80 0.00 2.09
assign (resid  46 and name HA  )(resid  76 and name HA  ) 1.80 0.00 3.13
assign (resid  46 and name HA  )(resid  76 and name HD1#) 1.80 0.00 4.08
assign (resid  46 and name HA  )(resid  76 and name HD2#) 1.80 0.00 1.85
assign (resid  46 and name HB1 )(resid  76 and name HD2#) 1.80 0.00 3.76
assign (resid  47 and name HA  )(resid  49 and name HB# ) 1.80 0.00 3.61
assign (resid  48 and name HN  )(resid  76 and name HD2#) 1.80 0.00 3.70
assign (resid  48 and name HB2 )(resid  76 and name HA  ) 1.80 0.00 3.10
assign (resid  48 and name HB2 )(resid  77 and name HN  ) 1.80 0.00 2.65
assign (resid  48 and name HB2 )(resid  77 and name HB  ) 1.80 0.00 1.12
assign (resid  48 and name HB2 )(resid  77 and name HG2#) 1.80 0.00 3.92
assign (resid  48 and name HB1 )(resid  77 and name HB  ) 1.80 0.00 2.74
assign (resid  48 and name HB2 )(resid  78 and name HN  ) 1.80 0.00 1.26
assign (resid  48 and name HB2 )(resid  78 and name HA  ) 1.80 0.00 3.17
assign (resid  48 and name HB2 )(resid  78 and name HB1 ) 1.80 0.00 1.92
assign (resid  48 and name HB1 )(resid  78 and name HN  ) 1.80 0.00 2.20
assign (resid  48 and name HB1 )(resid  78 and name HB1 ) 1.80 0.00 1.74
assign (resid  49 and name HA  )(resid  76 and name HN  ) 1.80 0.00 2.99
assign (resid  49 and name HA  )(resid  76 and name HA  ) 1.80 0.00 0.96
assign (resid  49 and name HA  )(resid  76 and name HD2#) 1.80 0.00 2.21
assign (resid  49 and name HB# )(resid  76 and name HA  ) 1.80 0.00 2.92
assign (resid  49 and name HB# )(resid  76 and name HD2#) 1.80 0.00 2.82
assign (resid  49 and name HA  )(resid  77 and name HN  ) 1.80 0.00 1.62
assign (resid  49 and name HA  )(resid  77 and name HB  ) 1.80 0.00 3.11
assign (resid  63 and name HN  )(resid  76 and name HD1#) 1.80 0.00 2.95
assign (resid  64 and name HN  )(resid  76 and name HD1#) 1.80 0.00 1.86
assign (resid  64 and name HB2 )(resid  76 and name HD1#) 1.80 0.00 2.45
assign (resid  64 and name HB2 )(resid  76 and name HD2#) 1.80 0.00 3.55
assign (resid  64 and name HB1 )(resid  76 and name HG  ) 1.80 0.00 2.85
assign (resid  64 and name HB1 )(resid  76 and name HD1#) 1.80 0.00 1.03
assign (resid  64 and name HB1 )(resid  76 and name HD2#) 1.80 0.00 1.82
assign (resid  64 and name HD1 )(resid  76 and name HD1#) 1.80 0.00 3.48
assign (resid  64 and name HD1 )(resid  76 and name HD2#) 1.80 0.00 3.08
assign (resid  76 and name HA  )(resid  78 and name HN  ) 1.80 0.00 2.59
assign (resid  76 and name HB1 )(resid  78 and name HN  ) 1.80 0.00 2.42
assign (resid  76 and name HN  )(resid  79 and name HG1#) 1.80 0.00 3.48
assign (resid  76 and name HA  )(resid  79 and name HG1#) 1.80 0.00 3.97
assign (resid  76 and name HB2 )(resid  79 and name HN  ) 1.80 0.00 2.26
assign (resid  76 and name HB2 )(resid  79 and name HB  ) 1.80 0.00 2.84
assign (resid  76 and name HB2 )(resid  79 and name HG1#) 1.80 0.00 1.08
assign (resid  76 and name HB1 )(resid  79 and name HN  ) 1.80 0.00 1.80
assign (resid  76 and name HB1 )(resid  79 and name HB  ) 1.80 0.00 2.38
assign (resid  76 and name HB1 )(resid  79 and name HG1#) 1.80 0.00 1.36
assign (resid  76 and name HG  )(resid  79 and name HG1#) 1.80 0.00 3.80
assign (resid  76 and name HD1#)(resid  79 and name HB  ) 1.80 0.00 3.66
assign (resid  76 and name HD1#)(resid  79 and name HG1#) 1.80 0.00 2.80
assign (resid  77 and name HN  )(resid  79 and name HN  ) 1.80 0.00 3.11
assign (resid  77 and name HA  )(resid  79 and name HN  ) 1.80 0.00 2.38
assign (resid  77 and name HB  )(resid  79 and name HN  ) 1.80 0.00 3.19
assign (resid  77 and name HG2#)(resid  79 and name HN  ) 1.80 0.00 3.90
set echo=true end
set wrnlev=5 end

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1          1H        ALA   1   0.018   2.116  -2.259
    2   2H    ALA   1          2H        ALA   1  -1.059   1.017  -1.538
    3   3H    ALA   1          3H        ALA   1   0.305   1.561  -0.682
    4    HA   ALA   1           HA       ALA   1   1.003  -0.511  -1.366
    5   1HB   ALA   1          3HB       ALA   1  -1.019  -0.075  -3.372
    6   2HB   ALA   1          1HB       ALA   1   0.477  -0.610  -4.141
    7   3HB   ALA   1          2HB       ALA   1  -0.269  -1.593  -2.875
    8    H    THR   2           H        THR   2   1.865   2.450  -1.923
    9    HA   THR   2           HA       THR   2   3.352   2.697  -4.238
   10    HB   THR   2           HB       THR   2   5.016   3.464  -2.016
   11    HG1  THR   2           HG1      THR   2   3.575   4.646  -0.884
   12   1HG2  THR   2          2HG2      THR   2   4.437   4.333  -4.511
   13   2HG2  THR   2          3HG2      THR   2   3.456   5.449  -3.555
   14   3HG2  THR   2          1HG2      THR   2   5.197   5.349  -3.281
   15    H    TYR   3           H        TYR   3   4.297   0.954  -5.066
   16    HA   TYR   3           HA       TYR   3   5.900  -0.913  -3.505
   17   1HB   TYR   3          1HB       TYR   3   5.632  -0.566  -6.507
   18   2HB   TYR   3          2HB       TYR   3   6.447  -1.913  -5.712
   19    HD1  TYR   3           HD2      TYR   3   4.511  -2.043  -3.322
   20    HD2  TYR   3           HD1      TYR   3   3.895  -1.883  -7.566
   21    HE1  TYR   3           HE2      TYR   3   2.339  -3.190  -3.045
   22    HE2  TYR   3           HE1      TYR   3   1.715  -3.034  -7.294
   23    HH   TYR   3           HH       TYR   3   0.164  -3.351  -4.337
   24    H    LYS   4           H        LYS   4   8.054  -0.742  -3.074
   25    HA   LYS   4           HA       LYS   4   9.498   1.627  -3.910
   26   1HB   LYS   4          1HB       LYS   4   9.990  -0.700  -2.160
   27   2HB   LYS   4          2HB       LYS   4  11.433  -0.051  -2.947
   28   1HG   LYS   4          1HG       LYS   4  11.439   1.693  -1.534
   29   2HG   LYS   4          2HG       LYS   4   9.822   2.138  -2.085
   30   1HD   LYS   4          1HD       LYS   4   8.821   1.249  -0.249
   31   2HD   LYS   4          2HD       LYS   4   9.869  -0.169  -0.254
   32   1HE   LYS   4          1HE       LYS   4  11.609   0.984   0.894
   33   2HE   LYS   4          2HE       LYS   4  10.860   2.554   0.604
   34   1HZ   LYS   4          3HZ       LYS   4   9.084   0.785   1.949
   35   2HZ   LYS   4          1HZ       LYS   4  10.531   0.963   2.816
   36   3HZ   LYS   4          2HZ       LYS   4   9.614   2.333   2.407
   37    H    VAL   5           H        VAL   5   9.708   1.660  -6.119
   38    HA   VAL   5           HA       VAL   5  10.835  -0.725  -7.485
   39    HB   VAL   5           HB       VAL   5  10.016   1.888  -8.766
   40   1HG1  VAL   5          3HG1      VAL   5  10.976  -0.708  -9.664
   41   2HG1  VAL   5          1HG1      VAL   5   9.404  -0.333 -10.370
   42   3HG1  VAL   5          2HG1      VAL   5  10.756   0.778 -10.589
   43   1HG2  VAL   5          2HG2      VAL   5   8.237   0.683  -7.255
   44   2HG2  VAL   5          3HG2      VAL   5   7.780   1.171  -8.886
   45   3HG2  VAL   5          1HG2      VAL   5   8.198  -0.509  -8.553
   46    H    THR   6           H        THR   6  13.007  -0.840  -7.703
   47    HA   THR   6           HA       THR   6  14.620   1.616  -7.383
   48    HB   THR   6           HB       THR   6  15.261  -1.332  -7.411
   49    HG1  THR   6           HG1      THR   6  15.839  -0.905  -5.331
   50   1HG2  THR   6          3HG2      THR   6  17.211   0.989  -7.388
   51   2HG2  THR   6          1HG2      THR   6  17.633  -0.705  -7.141
   52   3HG2  THR   6          2HG2      THR   6  17.008  -0.171  -8.701
   53    H    LEU   7           H        LEU   7  16.407   2.015  -8.902
   54    HA   LEU   7           HA       LEU   7  15.928   0.924 -11.636
   55   1HB   LEU   7          1HB       LEU   7  16.251   3.836 -10.850
   56   2HB   LEU   7          2HB       LEU   7  16.392   3.255 -12.510
   57    HG   LEU   7           HG       LEU   7  13.962   3.044 -10.711
   58   1HD1  LEU   7          2HD1      LEU   7  14.861   4.897 -12.782
   59   2HD1  LEU   7          3HD1      LEU   7  13.293   4.187 -13.164
   60   3HD1  LEU   7          1HD1      LEU   7  13.522   5.055 -11.646
   61   1HD2  LEU   7          3HD2      LEU   7  14.821   1.476 -13.033
   62   2HD2  LEU   7          1HD2      LEU   7  13.504   1.170 -11.900
   63   3HD2  LEU   7          2HD2      LEU   7  13.250   2.243 -13.277
   64    H    VAL   8           H        VAL   8  17.818  -0.363 -11.455
   65    HA   VAL   8           HA       VAL   8  20.329   0.723 -10.514
   66    HB   VAL   8           HB       VAL   8  19.642  -1.767 -12.091
   67   1HG1  VAL   8          3HG1      VAL   8  22.293  -0.754 -11.038
   68   2HG1  VAL   8          1HG1      VAL   8  22.003  -2.453 -11.412
   69   3HG1  VAL   8          2HG1      VAL   8  21.902  -1.240 -12.688
   70   1HG2  VAL   8          1HG2      VAL   8  19.573  -1.014  -9.313
   71   2HG2  VAL   8          2HG2      VAL   8  19.132  -2.559 -10.043
   72   3HG2  VAL   8          3HG2      VAL   8  20.797  -2.264  -9.541
   73    H    ARG   9           H        ARG   9  21.351   2.309 -11.624
   74    HA   ARG   9           HA       ARG   9  21.184   2.317 -14.591
   75   1HB   ARG   9          1HB       ARG   9  22.555   4.471 -13.020
   76   2HB   ARG   9          2HB       ARG   9  21.631   4.598 -14.517
   77   1HG   ARG   9          1HG       ARG   9  20.379   3.891 -11.852
   78   2HG   ARG   9          2HG       ARG   9  20.465   5.539 -12.475
   79   1HD   ARG   9          1HD       ARG   9  19.084   3.182 -13.788
   80   2HD   ARG   9          2HD       ARG   9  18.306   4.595 -13.075
   81    HE   ARG   9           HE       ARG   9  19.377   4.464 -15.733
   82   1HH1  ARG   9          1HH1      ARG   9  18.393   6.466 -13.158
   83   2HH1  ARG   9          2HH1      ARG   9  18.841   7.946 -13.936
   84   1HH2  ARG   9          1HH2      ARG   9  20.287   6.380 -16.671
   85   2HH2  ARG   9          2HH2      ARG   9  19.910   7.898 -15.928
   86    HA   PRO  10           HA       PRO  10  25.322   0.658 -14.524
   87   1HB   PRO  10          1HB       PRO  10  25.602   0.544 -17.257
   88   2HB   PRO  10          2HB       PRO  10  24.696  -0.653 -16.314
   89   1HG   PRO  10          1HG       PRO  10  23.662   1.521 -18.071
   90   2HG   PRO  10          2HG       PRO  10  22.905  -0.016 -17.624
   91   1HD   PRO  10          1HD       PRO  10  22.294   2.523 -16.523
   92   2HD   PRO  10          2HD       PRO  10  21.778   0.950 -15.879
   93    H    ASP  11           H        ASP  11  24.426   3.750 -15.110
   94    HA   ASP  11           HA       ASP  11  27.106   4.550 -16.166
   95   1HB   ASP  11          1HB       ASP  11  24.365   5.633 -16.501
   96   2HB   ASP  11          2HB       ASP  11  25.640   6.834 -16.289
   97    H    GLY  12           H        GLY  12  24.692   5.201 -13.642
   98   1HA   GLY  12          1HA       GLY  12  26.833   6.657 -12.138
   99   2HA   GLY  12          2HA       GLY  12  25.120   7.056 -12.000
  100    H    SER  13           H        SER  13  23.718   5.094 -11.307
  101    HA   SER  13           HA       SER  13  24.814   2.880  -9.918
  102   1HB   SER  13          1HB       SER  13  25.298   5.277  -8.544
  103   2HB   SER  13          2HB       SER  13  23.923   4.553  -7.715
  104    HG   SER  13           HG       SER  13  25.996   3.825  -6.950
  105    H    GLU  14           H        GLU  14  23.062   2.363  -7.945
  106    HA   GLU  14           HA       GLU  14  20.514   2.204  -9.391
  107   1HB   GLU  14          1HB       GLU  14  19.803   0.886  -7.360
  108   2HB   GLU  14          2HB       GLU  14  21.219   0.232  -8.185
  109   1HG   GLU  14          1HG       GLU  14  22.708   1.104  -6.547
  110   2HG   GLU  14          2HG       GLU  14  21.464   2.153  -5.866
  111    H    THR  15           H        THR  15  18.469   2.620  -7.976
  112    HA   THR  15           HA       THR  15  18.613   4.655  -5.928
  113    HB   THR  15           HB       THR  15  18.356   5.486  -8.767
  114    HG1  THR  15           HG1      THR  15  19.449   7.193  -7.983
  115   1HG2  THR  15          2HG2      THR  15  16.525   6.453  -6.571
  116   2HG2  THR  15          3HG2      THR  15  16.935   7.470  -7.952
  117   3HG2  THR  15          1HG2      THR  15  16.099   5.938  -8.203
  118    H    THR  16           H        THR  16  16.811   4.269  -4.731
  119    HA   THR  16           HA       THR  16  14.550   2.844  -6.002
  120    HB   THR  16           HB       THR  16  14.834   3.589  -3.084
  121    HG1  THR  16           HG1      THR  16  15.468   1.042  -3.710
  122   1HG2  THR  16          3HG2      THR  16  13.010   1.964  -4.727
  123   2HG2  THR  16          1HG2      THR  16  13.599   1.146  -3.280
  124   3HG2  THR  16          2HG2      THR  16  12.754   2.687  -3.139
  125    H    ILE  17           H        ILE  17  12.598   3.805  -6.412
  126    HA   ILE  17           HA       ILE  17  12.112   6.513  -5.253
  127    HB   ILE  17           HB       ILE  17  11.098   7.153  -7.449
  128   1HG1  ILE  17          1HG1      ILE  17  12.470   5.130  -9.008
  129   2HG1  ILE  17          2HG1      ILE  17  11.309   4.384  -7.909
  130   1HG2  ILE  17          2HG2      ILE  17  13.844   6.911  -6.760
  131   2HG2  ILE  17          3HG2      ILE  17  13.705   6.490  -8.467
  132   3HG2  ILE  17          1HG2      ILE  17  13.115   8.050  -7.893
  133   1HD1  ILE  17          2HD1      ILE  17   9.618   6.101  -8.720
  134   2HD1  ILE  17          3HD1      ILE  17  10.776   6.519  -9.983
  135   3HD1  ILE  17          1HD1      ILE  17  10.099   4.892  -9.910
  136    H    ASP  18           H        ASP  18   9.922   6.915  -4.747
  137    HA   ASP  18           HA       ASP  18   8.302   4.565  -4.263
  138   1HB   ASP  18          1HB       ASP  18   8.015   7.509  -3.825
  139   2HB   ASP  18          2HB       ASP  18   6.549   6.529  -3.811
  140    H    VAL  19           H        VAL  19   6.591   3.779  -5.448
  141    HA   VAL  19           HA       VAL  19   5.404   5.379  -7.602
  142    HB   VAL  19           HB       VAL  19   6.672   2.742  -8.346
  143   1HG1  VAL  19          1HG1      VAL  19   5.548   5.113  -9.856
  144   2HG1  VAL  19          2HG1      VAL  19   6.497   3.846 -10.633
  145   3HG1  VAL  19          3HG1      VAL  19   4.958   3.451  -9.866
  146   1HG2  VAL  19          1HG2      VAL  19   7.836   5.531  -8.638
  147   2HG2  VAL  19          2HG2      VAL  19   8.470   4.251  -7.603
  148   3HG2  VAL  19          3HG2      VAL  19   8.510   4.069  -9.357
  149    HA   PRO  20           HA       PRO  20   2.139   2.732  -6.155
  150   1HB   PRO  20          1HB       PRO  20   0.178   3.812  -7.744
  151   2HB   PRO  20          2HB       PRO  20   0.765   4.577  -6.256
  152   1HG   PRO  20          1HG       PRO  20   1.307   5.317  -9.087
  153   2HG   PRO  20          2HG       PRO  20   1.321   6.337  -7.641
  154   1HD   PRO  20          1HD       PRO  20   3.600   5.301  -8.965
  155   2HD   PRO  20          2HD       PRO  20   3.576   6.039  -7.348
  156    H    GLU  21           H        GLU  21   0.467   1.261  -7.237
  157    HA   GLU  21           HA       GLU  21   1.757  -0.220  -9.401
  158   1HB   GLU  21          1HB       GLU  21  -0.394  -1.624  -9.190
  159   2HB   GLU  21          2HB       GLU  21   0.676  -1.578  -7.789
  160   1HG   GLU  21          1HG       GLU  21  -0.806  -0.383  -6.528
  161   2HG   GLU  21          2HG       GLU  21  -1.365   0.567  -7.905
  162    H    ASP  22           H        ASP  22  -0.106   2.516  -9.403
  163    HA   ASP  22           HA       ASP  22  -1.333   1.808 -12.041
  164   1HB   ASP  22          1HB       ASP  22  -2.324   3.428  -9.735
  165   2HB   ASP  22          2HB       ASP  22  -2.772   3.949 -11.359
  166    H    GLU  23           H        GLU  23   1.392   2.989 -11.287
  167    HA   GLU  23           HA       GLU  23   1.206   5.239 -13.221
  168   1HB   GLU  23          1HB       GLU  23   2.520   5.371 -10.496
  169   2HB   GLU  23          2HB       GLU  23   2.807   6.550 -11.777
  170   1HG   GLU  23          1HG       GLU  23  -0.030   5.920 -11.112
  171   2HG   GLU  23          2HG       GLU  23   0.873   6.898  -9.954
  172    H    TYR  24           H        TYR  24   2.752   5.034 -14.752
  173    HA   TYR  24           HA       TYR  24   4.528   2.855 -14.903
  174   1HB   TYR  24          1HB       TYR  24   4.897   5.583 -16.174
  175   2HB   TYR  24          2HB       TYR  24   5.624   4.071 -16.719
  176    HD1  TYR  24           HD2      TYR  24   3.680   2.082 -16.788
  177    HD2  TYR  24           HD1      TYR  24   3.117   6.281 -17.498
  178    HE1  TYR  24           HE2      TYR  24   1.652   1.585 -18.129
  179    HE2  TYR  24           HE1      TYR  24   1.089   5.784 -18.836
  180    HH   TYR  24           HH       TYR  24  -0.641   3.354 -18.717
  181    H    ILE  25           H        ILE  25   6.712   2.581 -14.347
  182    HA   ILE  25           HA       ILE  25   7.669   4.065 -12.079
  183    HB   ILE  25           HB       ILE  25   9.209   2.268 -13.976
  184   1HG1  ILE  25          1HG1      ILE  25   8.815   0.830 -11.712
  185   2HG1  ILE  25          2HG1      ILE  25   7.341   1.799 -11.716
  186   1HG2  ILE  25          3HG2      ILE  25   9.799   3.255 -11.167
  187   2HG2  ILE  25          1HG2      ILE  25  10.747   2.044 -12.028
  188   3HG2  ILE  25          2HG2      ILE  25  10.676   3.698 -12.631
  189   1HD1  ILE  25          1HD1      ILE  25   7.840   0.867 -14.382
  190   2HD1  ILE  25          2HD1      ILE  25   7.901  -0.507 -13.278
  191   3HD1  ILE  25          3HD1      ILE  25   6.466   0.516 -13.335
  192    H    LEU  26           H        LEU  26   8.314   4.227 -15.546
  193    HA   LEU  26           HA       LEU  26  10.489   6.100 -15.389
  194   1HB   LEU  26          1HB       LEU  26  10.047   4.833 -17.440
  195   2HB   LEU  26          2HB       LEU  26   8.476   5.616 -17.609
  196    HG   LEU  26           HG       LEU  26  10.886   7.366 -17.359
  197   1HD1  LEU  26          2HD1      LEU  26  11.104   5.349 -19.127
  198   2HD1  LEU  26          3HD1      LEU  26  10.141   6.462 -20.099
  199   3HD1  LEU  26          1HD1      LEU  26  11.708   6.970 -19.469
  200   1HD2  LEU  26          1HD2      LEU  26   8.125   7.624 -17.982
  201   2HD2  LEU  26          2HD2      LEU  26   9.347   8.895 -17.966
  202   3HD2  LEU  26          3HD2      LEU  26   9.018   8.006 -19.454
  203    H    ASP  27           H        ASP  27   7.206   6.443 -14.649
  204    HA   ASP  27           HA       ASP  27   6.973   9.250 -15.466
  205   1HB   ASP  27          1HB       ASP  27   5.151   7.255 -14.885
  206   2HB   ASP  27          2HB       ASP  27   5.073   8.279 -13.450
  207    H    VAL  28           H        VAL  28   7.476   7.454 -12.430
  208    HA   VAL  28           HA       VAL  28   7.656   9.960 -10.901
  209    HB   VAL  28           HB       VAL  28   8.172   7.085 -10.084
  210   1HG1  VAL  28          3HG1      VAL  28   9.083   9.326  -8.811
  211   2HG1  VAL  28          1HG1      VAL  28   7.492   9.143  -8.072
  212   3HG1  VAL  28          2HG1      VAL  28   8.662   7.826  -7.984
  213   1HG2  VAL  28          3HG2      VAL  28   5.812   7.774 -10.807
  214   2HG2  VAL  28          1HG2      VAL  28   5.958   7.111  -9.179
  215   3HG2  VAL  28          2HG2      VAL  28   5.808   8.853  -9.412
  216    H    ALA  29           H        ALA  29   9.799   7.653 -12.403
  217    HA   ALA  29           HA       ALA  29  12.197   8.585 -11.036
  218   1HB   ALA  29          1HB       ALA  29  11.783   6.936 -13.540
  219   2HB   ALA  29          2HB       ALA  29  13.368   7.288 -12.849
  220   3HB   ALA  29          3HB       ALA  29  12.199   6.336 -11.934
  221    H    GLU  30           H        GLU  30  10.531   9.287 -14.053
  222    HA   GLU  30           HA       GLU  30  12.637  10.990 -15.092
  223   1HB   GLU  30          1HB       GLU  30  10.804   9.858 -16.437
  224   2HB   GLU  30          2HB       GLU  30   9.695  11.068 -15.784
  225   1HG   GLU  30          1HG       GLU  30  11.406  12.811 -16.645
  226   2HG   GLU  30          2HG       GLU  30  12.069  11.486 -17.601
  227    H    GLU  31           H        GLU  31  10.818  11.335 -12.393
  228    HA   GLU  31           HA       GLU  31  10.520  14.289 -12.721
  229   1HB   GLU  31          1HB       GLU  31   8.971  12.216 -11.284
  230   2HB   GLU  31          2HB       GLU  31   9.236  13.708 -10.382
  231   1HG   GLU  31          1HG       GLU  31   8.484  14.919 -12.539
  232   2HG   GLU  31          2HG       GLU  31   7.857  13.348 -13.041
  233    H    GLN  32           H        GLN  32  12.051  11.727 -10.884
  234    HA   GLN  32           HA       GLN  32  13.083  13.617  -8.866
  235   1HB   GLN  32          1HB       GLN  32  13.825  10.708  -9.297
  236   2HB   GLN  32          2HB       GLN  32  14.113  11.674  -7.849
  237   1HG   GLN  32          1HG       GLN  32  11.348  11.130  -8.956
  238   2HG   GLN  32          2HG       GLN  32  12.105  10.138  -7.709
  239   1HE2  GLN  32          2HE2      GLN  32  10.071  12.999  -6.205
  240   2HE2  GLN  32          1HE2      GLN  32   9.690  11.882  -7.425
  241    H    GLY  33           H        GLY  33  13.844  13.021 -12.006
  242   1HA   GLY  33          1HA       GLY  33  15.740  13.858 -13.181
  243   2HA   GLY  33          2HA       GLY  33  16.580  14.046 -11.639
  244    H    LEU  34           H        LEU  34  14.955  11.147 -12.861
  245    HA   LEU  34           HA       LEU  34  17.435   9.622 -12.395
  246   1HB   LEU  34          1HB       LEU  34  14.700   8.647 -13.248
  247   2HB   LEU  34          2HB       LEU  34  16.019   7.657 -12.616
  248    HG   LEU  34           HG       LEU  34  14.253   9.605 -11.171
  249   1HD1  LEU  34          3HD1      LEU  34  15.159   6.779 -10.917
  250   2HD1  LEU  34          1HD1      LEU  34  14.798   7.658  -9.432
  251   3HD1  LEU  34          2HD1      LEU  34  13.558   7.474 -10.671
  252   1HD2  LEU  34          3HD2      LEU  34  17.068   8.832 -10.360
  253   2HD2  LEU  34          1HD2      LEU  34  16.520  10.451 -10.788
  254   3HD2  LEU  34          2HD2      LEU  34  15.911   9.673  -9.329
  255    H    ASP  35           H        ASP  35  16.887  11.483 -14.670
  256    HA   ASP  35           HA       ASP  35  16.890  11.461 -17.079
  257   1HB   ASP  35          1HB       ASP  35  19.299  11.255 -15.849
  258   2HB   ASP  35          2HB       ASP  35  19.351   9.826 -16.881
  259    H    LEU  36           H        LEU  36  15.023   9.820 -17.163
  260    HA   LEU  36           HA       LEU  36  15.922   7.098 -17.919
  261   1HB   LEU  36          1HB       LEU  36  13.270   8.335 -17.226
  262   2HB   LEU  36          2HB       LEU  36  13.322   6.817 -18.127
  263    HG   LEU  36           HG       LEU  36  14.671   7.334 -15.460
  264   1HD1  LEU  36          1HD1      LEU  36  12.130   7.071 -15.515
  265   2HD1  LEU  36          2HD1      LEU  36  12.410   5.428 -16.092
  266   3HD1  LEU  36          3HD1      LEU  36  13.005   5.919 -14.506
  267   1HD2  LEU  36          1HD2      LEU  36  14.636   4.988 -17.362
  268   2HD2  LEU  36          2HD2      LEU  36  16.027   5.764 -16.603
  269   3HD2  LEU  36          3HD2      LEU  36  14.940   4.763 -15.639
  270    HA   PRO  37           HA       PRO  37  15.536   7.959 -22.200
  271   1HB   PRO  37          1HB       PRO  37  15.328   5.351 -23.063
  272   2HB   PRO  37          2HB       PRO  37  16.847   6.103 -22.549
  273   1HG   PRO  37          1HG       PRO  37  15.189   4.087 -21.132
  274   2HG   PRO  37          2HG       PRO  37  16.903   4.465 -20.931
  275   1HD   PRO  37          1HD       PRO  37  14.767   5.290 -19.232
  276   2HD   PRO  37          2HD       PRO  37  16.456   5.819 -19.160
  277    H    PHE  38           H        PHE  38  14.060   7.626 -24.041
  278    HA   PHE  38           HA       PHE  38  11.638   6.232 -24.069
  279   1HB   PHE  38          1HB       PHE  38   9.957   7.737 -23.328
  280   2HB   PHE  38          2HB       PHE  38  11.158   7.738 -22.038
  281    HD1  PHE  38           HD2      PHE  38   9.943   9.593 -25.018
  282    HD2  PHE  38           HD1      PHE  38  12.387   9.708 -21.489
  283    HE1  PHE  38           HE2      PHE  38  10.220  12.041 -25.292
  284    HE2  PHE  38           HE1      PHE  38  12.664  12.159 -21.761
  285    HZ   PHE  38           HZ       PHE  38  11.575  13.324 -23.663
  286    H    SER  39           H        SER  39  10.319   6.858 -25.899
  287    HA   SER  39           HA       SER  39  11.280   9.119 -27.546
  288   1HB   SER  39          1HB       SER  39  11.399   6.224 -28.423
  289   2HB   SER  39          2HB       SER  39  11.579   7.594 -29.518
  290    HG   SER  39           HG       SER  39  13.566   7.748 -28.874
  291    H    CYS  40           H        CYS  40   9.326   6.142 -27.808
  292    HA   CYS  40           HA       CYS  40   7.245   7.572 -29.308
  293   1HB   CYS  40          1HB       CYS  40   6.044   5.346 -29.138
  294   2HB   CYS  40          2HB       CYS  40   7.623   5.265 -29.925
  295    HG   CYS  40           HG       CYS  40   7.578   4.674 -26.886
  296    H    ARG  41           H        ARG  41   7.858   6.516 -26.030
  297    HA   ARG  41           HA       ARG  41   6.531   6.742 -24.086
  298   1HB   ARG  41          1HB       ARG  41   6.800   9.177 -25.018
  299   2HB   ARG  41          2HB       ARG  41   5.116   8.998 -25.512
  300   1HG   ARG  41          1HG       ARG  41   5.133  10.015 -23.322
  301   2HG   ARG  41          2HG       ARG  41   4.583   8.349 -23.130
  302   1HD   ARG  41          1HD       ARG  41   6.274   8.937 -21.420
  303   2HD   ARG  41          2HD       ARG  41   6.845   7.661 -22.489
  304    HE   ARG  41           HE       ARG  41   8.460   9.154 -23.366
  305   1HH1  ARG  41          1HH2      ARG  41   7.322  10.320 -20.501
  306   2HH1  ARG  41          2HH2      ARG  41   7.662  11.990 -20.807
  307   1HH2  ARG  41          1HH1      ARG  41   8.388  11.502 -24.163
  308   2HH2  ARG  41          2HH1      ARG  41   8.276  12.659 -22.879
  309    H    ALA  42           H        ALA  42   5.617   5.241 -26.580
  310    HA   ALA  42           HA       ALA  42   2.701   5.113 -25.911
  311   1HB   ALA  42          2HB       ALA  42   3.159   6.102 -28.166
  312   2HB   ALA  42          3HB       ALA  42   4.018   4.617 -28.604
  313   3HB   ALA  42          1HB       ALA  42   2.284   4.573 -28.262
  314    H    GLY  43           H        GLY  43   5.643   3.473 -25.923
  315   1HA   GLY  43          1HA       GLY  43   5.944   1.193 -25.230
  316   2HA   GLY  43          2HA       GLY  43   4.237   0.892 -25.575
  317    H    ALA  44           H        ALA  44   5.006   2.612 -28.136
  318    HA   ALA  44           HA       ALA  44   5.223   0.351 -29.905
  319   1HB   ALA  44          2HB       ALA  44   4.592   3.125 -30.108
  320   2HB   ALA  44          3HB       ALA  44   5.895   2.780 -31.246
  321   3HB   ALA  44          1HB       ALA  44   4.386   1.871 -31.333
  322    H    CYS  45           H        CYS  45   7.513   1.787 -27.996
  323    HA   CYS  45           HA       CYS  45   9.691   0.903 -29.828
  324   1HB   CYS  45          1HB       CYS  45   9.266   3.482 -29.746
  325   2HB   CYS  45          2HB       CYS  45  10.014   3.384 -28.153
  326    HG   CYS  45           HG       CYS  45  11.673   3.669 -30.431
  327    H    SER  46           H        SER  46  11.836   0.821 -28.492
  328    HA   SER  46           HA       SER  46  11.191  -0.138 -25.731
  329   1HB   SER  46          1HB       SER  46  12.006  -2.146 -26.344
  330   2HB   SER  46          2HB       SER  46  12.395  -1.529 -27.947
  331    HG   SER  46           HG       SER  46  14.351  -1.953 -27.182
  332    H    THR  47           H        THR  47  12.689   2.280 -27.379
  333    HA   THR  47           HA       THR  47  15.285   2.551 -26.425
  334    HB   THR  47           HB       THR  47  13.621   4.220 -27.734
  335    HG1  THR  47           HG1      THR  47  15.293   5.671 -27.607
  336   1HG2  THR  47          1HG2      THR  47  12.463   4.693 -25.504
  337   2HG2  THR  47          2HG2      THR  47  13.933   5.550 -25.038
  338   3HG2  THR  47          3HG2      THR  47  12.986   6.104 -26.422
  339    H    CYS  48           H        CYS  48  12.266   3.058 -24.651
  340    HA   CYS  48           HA       CYS  48  13.823   3.621 -22.173
  341   1HB   CYS  48          1HB       CYS  48  11.590   4.162 -21.209
  342   2HB   CYS  48          2HB       CYS  48  11.950   5.131 -22.634
  343    HG   CYS  48           HG       CYS  48  10.431   3.434 -24.026
  344    H    ALA  49           H        ALA  49  14.558   1.310 -22.166
  345    HA   ALA  49           HA       ALA  49  12.471  -0.411 -20.908
  346   1HB   ALA  49          2HB       ALA  49  13.759  -0.832 -23.456
  347   2HB   ALA  49          3HB       ALA  49  14.203  -2.124 -22.340
  348   3HB   ALA  49          1HB       ALA  49  12.504  -1.797 -22.678
  349    H    GLY  50           H        GLY  50  13.205  -1.556 -19.153
  350   1HA   GLY  50          1HA       GLY  50  16.136  -1.390 -18.564
  351   2HA   GLY  50          2HA       GLY  50  14.895  -1.296 -17.311
  352    H    LYS  51           H        LYS  51  14.535  -3.188 -16.248
  353    HA   LYS  51           HA       LYS  51  14.059  -5.684 -17.492
  354   1HB   LYS  51          1HB       LYS  51  16.455  -5.570 -18.121
  355   2HB   LYS  51          2HB       LYS  51  16.884  -5.433 -16.415
  356   1HG   LYS  51          1HG       LYS  51  16.030  -7.622 -15.933
  357   2HG   LYS  51          2HG       LYS  51  15.269  -7.743 -17.519
  358   1HD   LYS  51          1HD       LYS  51  17.236  -8.256 -18.578
  359   2HD   LYS  51          2HD       LYS  51  18.197  -7.237 -17.505
  360   1HE   LYS  51          1HE       LYS  51  18.012  -8.896 -15.713
  361   2HE   LYS  51          2HE       LYS  51  16.980  -9.904 -16.728
  362   1HZ   LYS  51          1HZ       LYS  51  18.798 -10.113 -18.306
  363   2HZ   LYS  51          2HZ       LYS  51  19.791  -9.147 -17.322
  364   3HZ   LYS  51          3HZ       LYS  51  19.268 -10.668 -16.774
  365    H    LEU  52           H        LEU  52  12.450  -5.584 -15.808
  366    HA   LEU  52           HA       LEU  52  13.000  -5.308 -13.034
  367   1HB   LEU  52          1HB       LEU  52  10.721  -5.500 -14.384
  368   2HB   LEU  52          2HB       LEU  52  10.869  -7.204 -13.955
  369    HG   LEU  52           HG       LEU  52   9.583  -6.034 -12.234
  370   1HD1  LEU  52          2HD1      LEU  52  11.598  -7.748 -11.760
  371   2HD1  LEU  52          3HD1      LEU  52  12.215  -6.351 -10.877
  372   3HD1  LEU  52          1HD1      LEU  52  10.644  -7.035 -10.458
  373   1HD2  LEU  52          3HD2      LEU  52  11.677  -4.046 -12.655
  374   2HD2  LEU  52          1HD2      LEU  52  10.083  -3.853 -11.926
  375   3HD2  LEU  52          2HD2      LEU  52  11.440  -4.404 -10.945
  376    H    LEU  53           H        LEU  53  14.678  -6.528 -12.194
  377    HA   LEU  53           HA       LEU  53  14.914  -9.379 -12.907
  378   1HB   LEU  53          1HB       LEU  53  16.550  -7.468 -11.246
  379   2HB   LEU  53          2HB       LEU  53  16.842  -9.206 -11.176
  380    HG   LEU  53           HG       LEU  53  16.633  -7.923 -13.869
  381   1HD1  LEU  53          2HD1      LEU  53  18.831  -7.508 -11.869
  382   2HD1  LEU  53          3HD1      LEU  53  19.246  -7.677 -13.575
  383   3HD1  LEU  53          1HD1      LEU  53  18.172  -6.379 -13.054
  384   1HD2  LEU  53          1HD2      LEU  53  17.630 -10.386 -12.628
  385   2HD2  LEU  53          2HD2      LEU  53  17.157 -10.087 -14.300
  386   3HD2  LEU  53          3HD2      LEU  53  18.783  -9.675 -13.757
  387    H    GLU  54           H        GLU  54  14.002  -7.388 -10.125
  388    HA   GLU  54           HA       GLU  54  12.955  -9.879  -8.845
  389   1HB   GLU  54          1HB       GLU  54  14.724  -7.755  -7.711
  390   2HB   GLU  54          2HB       GLU  54  13.493  -8.451  -6.656
  391   1HG   GLU  54          1HG       GLU  54  14.964 -10.451  -8.235
  392   2HG   GLU  54          2HG       GLU  54  15.975  -9.553  -7.102
  393    H    GLY  55           H        GLY  55  10.891  -9.694  -8.027
  394   1HA   GLY  55          1HA       GLY  55   9.090  -8.363  -7.019
  395   2HA   GLY  55          2HA       GLY  55   9.691  -6.964  -7.911
  396    H    GLU  56           H        GLU  56   7.778  -6.537  -9.060
  397    HA   GLU  56           HA       GLU  56   7.306  -8.261 -11.379
  398   1HB   GLU  56          1HB       GLU  56   5.791  -8.761  -9.092
  399   2HB   GLU  56          2HB       GLU  56   4.745  -7.737 -10.075
  400   1HG   GLU  56          1HG       GLU  56   4.626  -9.275 -11.802
  401   2HG   GLU  56          2HG       GLU  56   6.197  -9.981 -11.420
  402    H    VAL  57           H        VAL  57   5.890  -7.183 -12.948
  403    HA   VAL  57           HA       VAL  57   5.002  -4.437 -12.394
  404    HB   VAL  57           HB       VAL  57   6.410  -3.866 -14.618
  405   1HG1  VAL  57          1HG1      VAL  57   7.052  -3.664 -11.712
  406   2HG1  VAL  57          2HG1      VAL  57   8.318  -3.235 -12.858
  407   3HG1  VAL  57          3HG1      VAL  57   6.775  -2.383 -12.889
  408   1HG2  VAL  57          1HG2      VAL  57   7.981  -6.002 -13.158
  409   2HG2  VAL  57          2HG2      VAL  57   7.469  -6.022 -14.845
  410   3HG2  VAL  57          3HG2      VAL  57   8.702  -4.880 -14.311
  411    H    ASP  58           H        ASP  58   3.514  -3.728 -14.121
  412    HA   ASP  58           HA       ASP  58   2.485  -5.973 -15.732
  413   1HB   ASP  58          1HB       ASP  58   1.168  -4.057 -14.395
  414   2HB   ASP  58          2HB       ASP  58   1.337  -3.224 -15.940
  415    H    GLN  59           H        GLN  59   4.791  -5.679 -16.863
  416    HA   GLN  59           HA       GLN  59   4.883  -3.499 -18.819
  417   1HB   GLN  59          1HB       GLN  59   7.060  -4.063 -19.024
  418   2HB   GLN  59          2HB       GLN  59   6.789  -5.155 -17.665
  419   1HG   GLN  59          1HG       GLN  59   6.000  -6.870 -19.408
  420   2HG   GLN  59          2HG       GLN  59   6.707  -5.799 -20.618
  421   1HE2  GLN  59          2HE2      GLN  59   9.854  -7.282 -20.106
  422   2HE2  GLN  59          1HE2      GLN  59   8.692  -6.707 -21.200
  423    H    SER  60           H        SER  60   2.977  -6.129 -18.688
  424    HA   SER  60           HA       SER  60   3.317  -6.985 -21.499
  425   1HB   SER  60          1HB       SER  60   1.052  -7.852 -19.719
  426   2HB   SER  60          2HB       SER  60   1.860  -8.751 -21.000
  427    HG   SER  60           HG       SER  60   3.740  -8.738 -19.627
  428    H    ASP  61           H        ASP  61   2.601  -4.234 -21.048
  429    HA   ASP  61           HA       ASP  61  -0.180  -4.217 -22.153
  430   1HB   ASP  61          1HB       ASP  61   0.255  -3.200 -19.822
  431   2HB   ASP  61          2HB       ASP  61   1.101  -1.920 -20.689
  432    H    GLN  62           H        GLN  62   3.063  -2.771 -22.315
  433    HA   GLN  62           HA       GLN  62   2.617  -0.760 -24.214
  434   1HB   GLN  62          1HB       GLN  62   5.001  -1.438 -25.046
  435   2HB   GLN  62          2HB       GLN  62   4.807  -0.824 -23.408
  436   1HG   GLN  62          1HG       GLN  62   6.210  -2.962 -23.689
  437   2HG   GLN  62          2HG       GLN  62   4.950  -2.989 -22.457
  438   1HE2  GLN  62          2HE2      GLN  62   3.258  -5.659 -23.967
  439   2HE2  GLN  62          1HE2      GLN  62   3.489  -4.686 -22.598
  440    H    SER  63           H        SER  63   3.883  -1.186 -26.552
  441    HA   SER  63           HA       SER  63   2.420  -3.480 -27.802
  442   1HB   SER  63          1HB       SER  63   1.618  -0.972 -28.202
  443   2HB   SER  63          2HB       SER  63   2.936  -0.986 -29.369
  444    HG   SER  63           HG       SER  63   1.800  -2.258 -30.598
  445    H    PHE  64           H        PHE  64   5.401  -2.218 -27.111
  446    HA   PHE  64           HA       PHE  64   6.615  -3.175 -29.661
  447   1HB   PHE  64          1HB       PHE  64   7.286  -0.920 -28.905
  448   2HB   PHE  64          2HB       PHE  64   7.864  -1.605 -27.384
  449    HD1  PHE  64           HD1      PHE  64   9.707  -3.363 -27.458
  450    HD2  PHE  64           HD2      PHE  64   8.631  -0.953 -30.848
  451    HE1  PHE  64           HE1      PHE  64  11.880  -3.899 -28.529
  452    HE2  PHE  64           HE2      PHE  64  10.804  -1.489 -31.919
  453    HZ   PHE  64           HZ       PHE  64  12.428  -2.962 -30.759
  454    H    LEU  65           H        LEU  65   6.486  -3.812 -26.198
  455    HA   LEU  65           HA       LEU  65   8.562  -5.908 -26.482
  456   1HB   LEU  65          1HB       LEU  65   7.451  -4.326 -24.284
  457   2HB   LEU  65          2HB       LEU  65   7.606  -6.038 -23.885
  458    HG   LEU  65           HG       LEU  65   9.970  -5.465 -25.233
  459   1HD1  LEU  65          3HD1      LEU  65   9.112  -3.005 -24.811
  460   2HD1  LEU  65          1HD1      LEU  65   9.682  -3.304 -23.169
  461   3HD1  LEU  65          2HD1      LEU  65  10.805  -3.409 -24.525
  462   1HD2  LEU  65          2HD2      LEU  65   9.561  -6.847 -23.156
  463   2HD2  LEU  65          3HD2      LEU  65  11.003  -5.834 -23.079
  464   3HD2  LEU  65          1HD2      LEU  65   9.535  -5.343 -22.235
  465    H    ASP  66           H        ASP  66   8.115  -8.116 -26.003
  466    HA   ASP  66           HA       ASP  66   5.235  -8.859 -25.806
  467   1HB   ASP  66          1HB       ASP  66   7.189  -9.562 -27.955
  468   2HB   ASP  66          2HB       ASP  66   6.057 -10.812 -27.439
  469    H    ASP  67           H        ASP  67   5.535 -11.613 -25.841
  470    HA   ASP  67           HA       ASP  67   6.515 -12.154 -23.209
  471   1HB   ASP  67          1HB       ASP  67   5.021 -13.531 -25.129
  472   2HB   ASP  67          2HB       ASP  67   6.479 -14.504 -24.932
  473    H    ASP  68           H        ASP  68   8.176 -11.729 -26.140
  474    HA   ASP  68           HA       ASP  68  10.380 -13.557 -25.590
  475   1HB   ASP  68          1HB       ASP  68  10.064 -11.231 -27.503
  476   2HB   ASP  68          2HB       ASP  68  11.516 -12.230 -27.425
  477    H    GLN  69           H        GLN  69  10.501  -9.994 -25.916
  478    HA   GLN  69           HA       GLN  69  12.877  -9.710 -24.397
  479   1HB   GLN  69          1HB       GLN  69  10.610  -7.883 -25.120
  480   2HB   GLN  69          2HB       GLN  69  11.755  -7.350 -23.888
  481   1HG   GLN  69          1HG       GLN  69  12.521  -6.589 -26.078
  482   2HG   GLN  69          2HG       GLN  69  13.624  -7.825 -25.472
  483   1HE2  GLN  69          2HE2      GLN  69  13.157  -9.779 -28.351
  484   2HE2  GLN  69          1HE2      GLN  69  14.194  -9.244 -27.118
  485    H    ILE  70           H        ILE  70   9.470  -9.627 -23.425
  486    HA   ILE  70           HA       ILE  70   9.738  -9.025 -20.704
  487    HB   ILE  70           HB       ILE  70   7.846 -10.857 -22.179
  488   1HG1  ILE  70          1HG1      ILE  70   7.186  -8.384 -20.590
  489   2HG1  ILE  70          2HG1      ILE  70   7.854  -8.235 -22.215
  490   1HG2  ILE  70          3HG2      ILE  70   7.903 -10.217 -19.215
  491   2HG2  ILE  70          1HG2      ILE  70   6.541 -10.966 -20.047
  492   3HG2  ILE  70          2HG2      ILE  70   8.086 -11.812 -19.947
  493   1HD1  ILE  70          3HD1      ILE  70   5.993  -9.946 -22.872
  494   2HD1  ILE  70          1HD1      ILE  70   5.240  -9.455 -21.355
  495   3HD1  ILE  70          2HD1      ILE  70   5.541  -8.260 -22.617
  496    H    GLU  71           H        GLU  71  10.340 -12.091 -22.382
  497    HA   GLU  71           HA       GLU  71  10.677 -13.746 -20.112
  498   1HB   GLU  71          1HB       GLU  71  10.792 -14.225 -22.731
  499   2HB   GLU  71          2HB       GLU  71  12.524 -14.095 -22.421
  500   1HG   GLU  71          1HG       GLU  71  11.830 -15.677 -20.349
  501   2HG   GLU  71          2HG       GLU  71  10.585 -16.156 -21.503
  502    H    LYS  72           H        LYS  72  12.989 -11.682 -21.769
  503    HA   LYS  72           HA       LYS  72  15.247 -12.365 -20.123
  504   1HB   LYS  72          1HB       LYS  72  14.585 -10.089 -21.968
  505   2HB   LYS  72          2HB       LYS  72  16.002  -9.961 -20.921
  506   1HG   LYS  72          1HG       LYS  72  16.935 -10.976 -22.793
  507   2HG   LYS  72          2HG       LYS  72  16.505 -12.390 -21.830
  508   1HD   LYS  72          1HD       LYS  72  14.656 -12.902 -23.158
  509   2HD   LYS  72          2HD       LYS  72  14.499 -11.248 -23.750
  510   1HE   LYS  72          1HE       LYS  72  16.266 -11.488 -25.273
  511   2HE   LYS  72          2HE       LYS  72  16.956 -12.858 -24.403
  512   1HZ   LYS  72          3HZ       LYS  72  14.643 -13.908 -25.002
  513   2HZ   LYS  72          1HZ       LYS  72  14.703 -12.782 -26.269
  514   3HZ   LYS  72          2HZ       LYS  72  15.936 -13.939 -26.103
  515    H    GLY  73           H        GLY  73  12.495 -10.320 -19.651
  516   1HA   GLY  73          1HA       GLY  73  11.944  -9.735 -17.306
  517   2HA   GLY  73          2HA       GLY  73  13.663  -9.450 -17.041
  518    H    PHE  74           H        PHE  74  12.992  -8.282 -20.069
  519    HA   PHE  74           HA       PHE  74  13.464  -5.587 -19.466
  520   1HB   PHE  74          1HB       PHE  74  11.885  -6.793 -21.756
  521   2HB   PHE  74          2HB       PHE  74  12.457  -5.117 -21.705
  522    HD1  PHE  74           HD1      PHE  74  15.015  -4.969 -20.831
  523    HD2  PHE  74           HD2      PHE  74  13.240  -8.259 -22.898
  524    HE1  PHE  74           HE1      PHE  74  17.249  -5.737 -21.523
  525    HE2  PHE  74           HE2      PHE  74  15.457  -9.034 -23.589
  526    HZ   PHE  74           HZ       PHE  74  17.470  -7.776 -22.906
  527    H    VAL  75           H        VAL  75  11.547  -3.919 -20.347
  528    HA   VAL  75           HA       VAL  75   8.871  -4.272 -19.658
  529    HB   VAL  75           HB       VAL  75   9.381  -4.927 -17.431
  530   1HG1  VAL  75          3HG1      VAL  75  11.806  -3.911 -17.751
  531   2HG1  VAL  75          1HG1      VAL  75  11.103  -2.526 -16.918
  532   3HG1  VAL  75          2HG1      VAL  75  11.130  -4.106 -16.135
  533   1HG2  VAL  75          3HG2      VAL  75   8.843  -1.942 -17.461
  534   2HG2  VAL  75          1HG2      VAL  75   7.635  -3.226 -17.474
  535   3HG2  VAL  75          2HG2      VAL  75   8.640  -2.976 -16.048
  536    H    LEU  76           H        LEU  76   8.607  -2.642 -21.219
  537    HA   LEU  76           HA       LEU  76   9.960  -0.252 -21.550
  538   1HB   LEU  76          1HB       LEU  76   6.961  -0.677 -21.731
  539   2HB   LEU  76          2HB       LEU  76   7.822   0.709 -22.404
  540    HG   LEU  76           HG       LEU  76   8.165  -2.201 -23.177
  541   1HD1  LEU  76          3HD1      LEU  76   6.426  -0.211 -24.097
  542   2HD1  LEU  76          1HD1      LEU  76   7.730  -0.241 -25.283
  543   3HD1  LEU  76          2HD1      LEU  76   6.829  -1.715 -24.927
  544   1HD2  LEU  76          2HD2      LEU  76   9.861   0.225 -23.644
  545   2HD2  LEU  76          3HD2      LEU  76  10.352  -1.449 -23.383
  546   3HD2  LEU  76          1HD2      LEU  76   9.704  -0.954 -24.947
  547    H    THR  77           H        THR  77  10.591   1.070 -19.916
  548    HA   THR  77           HA       THR  77   9.199   1.385 -17.438
  549    HB   THR  77           HB       THR  77  10.975   3.563 -18.463
  550    HG1  THR  77           HG1      THR  77  11.625   0.859 -18.171
  551   1HG2  THR  77          3HG2      THR  77   9.943   2.769 -15.990
  552   2HG2  THR  77          1HG2      THR  77  11.630   2.255 -15.947
  553   3HG2  THR  77          2HG2      THR  77  11.231   3.945 -16.256
  554    H    CYS  78           H        CYS  78   9.351   3.516 -20.316
  555    HA   CYS  78           HA       CYS  78   7.772   5.628 -19.352
  556   1HB   CYS  78          1HB       CYS  78   7.375   6.234 -21.604
  557   2HB   CYS  78          2HB       CYS  78   8.929   5.414 -21.649
  558    HG   CYS  78           HG       CYS  78   7.701   4.133 -23.445
  559    H    VAL  79           H        VAL  79   6.803   2.378 -20.068
  560    HA   VAL  79           HA       VAL  79   4.014   3.135 -19.376
  561    HB   VAL  79           HB       VAL  79   4.444   2.966 -21.937
  562   1HG1  VAL  79          3HG1      VAL  79   5.543   0.554 -21.214
  563   2HG1  VAL  79          1HG1      VAL  79   3.926   0.076 -21.729
  564   3HG1  VAL  79          2HG1      VAL  79   4.980   0.954 -22.837
  565   1HG2  VAL  79          2HG2      VAL  79   2.224   2.763 -20.495
  566   2HG2  VAL  79          3HG2      VAL  79   2.211   2.401 -22.221
  567   3HG2  VAL  79          1HG2      VAL  79   2.285   1.089 -21.045
  568    H    ALA  80           H        ALA  80   5.917   1.844 -17.720
  569    HA   ALA  80           HA       ALA  80   4.766  -0.920 -17.617
  570   1HB   ALA  80          2HB       ALA  80   7.566   0.049 -17.036
  571   2HB   ALA  80          3HB       ALA  80   6.956  -1.470 -16.376
  572   3HB   ALA  80          1HB       ALA  80   7.057  -1.244 -18.122
  573    H    TYR  81           H        TYR  81   3.703  -1.372 -15.758
  574    HA   TYR  81           HA       TYR  81   3.819   0.619 -13.547
  575   1HB   TYR  81          1HB       TYR  81   1.922  -1.639 -14.212
  576   2HB   TYR  81          2HB       TYR  81   1.837  -0.716 -12.710
  577    HD1  TYR  81           HD2      TYR  81   1.760   1.849 -12.900
  578    HD2  TYR  81           HD1      TYR  81   0.916  -0.825 -16.151
  579    HE1  TYR  81           HE2      TYR  81   0.572   3.662 -14.083
  580    HE2  TYR  81           HE1      TYR  81  -0.284   0.999 -17.340
  581    HH   TYR  81           HH       TYR  81  -1.230   3.859 -15.834
  582    HA   PRO  82           HA       PRO  82   5.823  -2.441 -11.039
  583   1HB   PRO  82          1HB       PRO  82   5.388  -1.298  -8.606
  584   2HB   PRO  82          2HB       PRO  82   6.529  -0.592  -9.768
  585   1HG   PRO  82          1HG       PRO  82   3.805   0.315  -9.011
  586   2HG   PRO  82          2HG       PRO  82   5.169   1.278  -9.610
  587   1HD   PRO  82          1HD       PRO  82   2.923   0.396 -11.133
  588   2HD   PRO  82          2HD       PRO  82   4.416   1.113 -11.784
  589    H    ARG  83           H        ARG  83   4.626  -4.367 -10.735
  590    HA   ARG  83           HA       ARG  83   1.924  -4.209  -9.604
  591   1HB   ARG  83          1HB       ARG  83   3.603  -6.382 -10.833
  592   2HB   ARG  83          2HB       ARG  83   2.256  -6.833  -9.787
  593   1HG   ARG  83          1HG       ARG  83   1.963  -4.913 -12.108
  594   2HG   ARG  83          2HG       ARG  83   1.688  -6.649 -12.259
  595   1HD   ARG  83          1HD       ARG  83   0.119  -6.313 -10.186
  596   2HD   ARG  83          2HD       ARG  83   0.129  -4.620 -10.680
  597    HE   ARG  83           HE       ARG  83  -0.473  -5.915 -13.024
  598   1HH1  ARG  83          1HH2      ARG  83  -1.437  -7.401 -10.212
  599   2HH1  ARG  83          2HH2      ARG  83  -3.140  -7.260 -10.494
  600   1HH2  ARG  83          1HH1      ARG  83  -2.781  -5.154 -13.227
  601   2HH2  ARG  83          2HH1      ARG  83  -3.902  -5.987 -12.202
  602    H    SER  84           H        SER  84   4.781  -3.775  -8.322
  603    HA   SER  84           HA       SER  84   4.189  -4.201  -5.650
  604   1HB   SER  84          1HB       SER  84   4.728  -6.756  -7.019
  605   2HB   SER  84          2HB       SER  84   5.673  -6.506  -5.554
  606    HG   SER  84           HG       SER  84   3.785  -7.358  -4.863
  607    H    ASP  85           H        ASP  85   6.176  -4.228  -4.250
  608    HA   ASP  85           HA       ASP  85   8.194  -2.519  -5.108
  609   1HB   ASP  85          1HB       ASP  85   9.631  -3.571  -3.323
  610   2HB   ASP  85          2HB       ASP  85   8.016  -3.134  -2.763
  611    H    CYS  86           H        CYS  86   9.892  -2.741  -6.543
  612    HA   CYS  86           HA       CYS  86  11.013  -5.418  -7.063
  613   1HB   CYS  86          1HB       CYS  86  10.588  -5.288  -9.491
  614   2HB   CYS  86          2HB       CYS  86   9.076  -5.309  -8.583
  615    HG   CYS  86           HG       CYS  86  10.281  -2.752  -9.915
  616    H    LYS  87           H        LYS  87  12.396  -4.829  -9.386
  617    HA   LYS  87           HA       LYS  87  13.872  -2.301  -8.941
  618   1HB   LYS  87          1HB       LYS  87  15.119  -3.852  -7.545
  619   2HB   LYS  87          2HB       LYS  87  15.139  -5.058  -8.833
  620   1HG   LYS  87          1HG       LYS  87  16.334  -3.253 -10.246
  621   2HG   LYS  87          2HG       LYS  87  16.604  -2.421  -8.714
  622   1HD   LYS  87          1HD       LYS  87  17.271  -5.323  -8.809
  623   2HD   LYS  87          2HD       LYS  87  18.343  -4.226  -9.680
  624   1HE   LYS  87          1HE       LYS  87  18.924  -3.045  -7.733
  625   2HE   LYS  87          2HE       LYS  87  17.505  -3.613  -6.853
  626   1HZ   LYS  87          3HZ       LYS  87  18.754  -5.912  -7.474
  627   2HZ   LYS  87          1HZ       LYS  87  20.072  -4.875  -7.219
  628   3HZ   LYS  87          2HZ       LYS  87  18.916  -5.094  -5.993
  629    H    ILE  88           H        ILE  88  13.401  -1.534 -10.993
  630    HA   ILE  88           HA       ILE  88  13.592  -3.342 -13.308
  631    HB   ILE  88           HB       ILE  88  13.011  -0.371 -13.217
  632   1HG1  ILE  88          1HG1      ILE  88  10.942  -2.491 -13.673
  633   2HG1  ILE  88          2HG1      ILE  88  11.469  -2.172 -12.019
  634   1HG2  ILE  88          1HG2      ILE  88  13.798  -1.697 -15.381
  635   2HG2  ILE  88          2HG2      ILE  88  12.121  -2.243 -15.376
  636   3HG2  ILE  88          3HG2      ILE  88  12.487  -0.520 -15.470
  637   1HD1  ILE  88          1HD1      ILE  88  11.001   0.258 -12.403
  638   2HD1  ILE  88          2HD1      ILE  88  10.313  -0.166 -13.969
  639   3HD1  ILE  88          3HD1      ILE  88   9.563  -0.757 -12.486
  640    H    LEU  89           H        LEU  89  15.697  -3.804 -13.815
  641    HA   LEU  89           HA       LEU  89  17.929  -2.095 -13.522
  642   1HB   LEU  89          1HB       LEU  89  17.401  -4.694 -14.500
  643   2HB   LEU  89          2HB       LEU  89  18.233  -3.836 -15.797
  644    HG   LEU  89           HG       LEU  89  19.157  -3.852 -12.934
  645   1HD1  LEU  89          2HD1      LEU  89  19.212  -6.011 -14.682
  646   2HD1  LEU  89          3HD1      LEU  89  20.810  -5.289 -14.872
  647   3HD1  LEU  89          1HD1      LEU  89  20.259  -5.802 -13.278
  648   1HD2  LEU  89          1HD2      LEU  89  19.791  -2.127 -14.962
  649   2HD2  LEU  89          2HD2      LEU  89  20.861  -2.501 -13.611
  650   3HD2  LEU  89          3HD2      LEU  89  21.045  -3.354 -15.145
  651    H    THR  90           H        THR  90  17.542  -0.023 -14.373
  652    HA   THR  90           HA       THR  90  16.450   0.447 -16.995
  653    HB   THR  90           HB       THR  90  16.880   2.698 -16.605
  654    HG1  THR  90           HG1      THR  90  19.076   2.673 -16.599
  655   1HG2  THR  90          1HG2      THR  90  16.062   1.216 -14.417
  656   2HG2  THR  90          2HG2      THR  90  17.366   2.205 -13.759
  657   3HG2  THR  90          3HG2      THR  90  15.988   2.974 -14.547
  658    H    ASN  91           H        ASN  91  17.691   1.213 -18.892
  659    HA   ASN  91           HA       ASN  91  19.458   1.013 -20.429
  660   1HB   ASN  91          1HB       ASN  91  20.748   1.396 -17.810
  661   2HB   ASN  91          2HB       ASN  91  21.757   0.552 -18.986
  662   1HD2  ASN  91          2HD2      ASN  91  21.540   4.477 -19.309
  663   2HD2  ASN  91          1HD2      ASN  91  21.288   3.585 -17.887
  664    H    GLN  92           H        GLN  92  19.137  -0.923 -21.470
  665    HA   GLN  92           HA       GLN  92  20.640  -3.260 -20.480
  666   1HB   GLN  92          1HB       GLN  92  17.636  -3.263 -20.866
  667   2HB   GLN  92          2HB       GLN  92  18.611  -4.732 -20.784
  668   1HG   GLN  92          1HG       GLN  92  18.400  -2.606 -18.632
  669   2HG   GLN  92          2HG       GLN  92  17.709  -4.228 -18.565
  670   1HE2  GLN  92          2HE2      GLN  92  21.080  -4.177 -16.839
  671   2HE2  GLN  92          1HE2      GLN  92  19.691  -3.222 -16.660
  672    H    GLU  93           H        GLU  93  21.312  -1.787 -22.661
  673    HA   GLU  93           HA       GLU  93  20.065  -2.929 -25.068
  674   1HB   GLU  93          1HB       GLU  93  20.847  -0.557 -24.996
  675   2HB   GLU  93          2HB       GLU  93  22.502  -1.142 -24.817
  676   1HG   GLU  93          1HG       GLU  93  22.676  -1.610 -27.020
  677   2HG   GLU  93          2HG       GLU  93  21.113  -2.427 -27.043
  678    H    GLU  94           H        GLU  94  21.150  -4.960 -23.489
  679    HA   GLU  94           HA       GLU  94  23.175  -6.028 -25.336
  680   1HB   GLU  94          1HB       GLU  94  23.834  -6.084 -22.399
  681   2HB   GLU  94          2HB       GLU  94  24.909  -6.330 -23.776
  682   1HG   GLU  94          1HG       GLU  94  24.706  -3.966 -24.390
  683   2HG   GLU  94          2HG       GLU  94  23.571  -3.702 -23.065
  684    H    GLU  95           H        GLU  95  21.156  -6.501 -22.463
  685    HA   GLU  95           HA       GLU  95  21.355  -9.424 -22.682
  686   1HB   GLU  95          1HB       GLU  95  20.034  -9.501 -20.734
  687   2HB   GLU  95          2HB       GLU  95  20.938  -7.999 -20.530
  688   1HG   GLU  95          1HG       GLU  95  18.850  -7.020 -21.900
  689   2HG   GLU  95          2HG       GLU  95  18.046  -8.404 -21.142
  690    H    LEU  96           H        LEU  96  19.659  -6.977 -24.252
  691    HA   LEU  96           HA       LEU  96  17.295  -8.686 -24.855
  692   1HB   LEU  96          1HB       LEU  96  17.338  -6.082 -24.287
  693   2HB   LEU  96          2HB       LEU  96  17.690  -5.952 -26.009
  694    HG   LEU  96           HG       LEU  96  15.496  -7.811 -25.296
  695   1HD1  LEU  96          1HD1      LEU  96  15.463  -5.450 -23.935
  696   2HD1  LEU  96          2HD1      LEU  96  14.656  -4.976 -25.430
  697   3HD1  LEU  96          3HD1      LEU  96  14.008  -6.297 -24.458
  698   1HD2  LEU  96          1HD2      LEU  96  16.406  -6.108 -27.500
  699   2HD2  LEU  96          2HD2      LEU  96  15.414  -7.565 -27.545
  700   3HD2  LEU  96          3HD2      LEU  96  14.667  -6.000 -27.227
  701    H    TYR  97           H        TYR  97  20.241  -8.867 -25.908
  702    HA   TYR  97           HA       TYR  97  19.470  -8.878 -28.795
  703   1HB   TYR  97          1HB       TYR  97  22.205  -8.243 -27.675
  704   2HB   TYR  97          2HB       TYR  97  21.667  -8.086 -29.357
  705    HD1  TYR  97           HD1      TYR  97  21.016  -6.908 -25.899
  706    HD2  TYR  97           HD2      TYR  97  20.448  -6.204 -30.085
  707    HE1  TYR  97           HE1      TYR  97  19.971  -4.739 -25.378
  708    HE2  TYR  97           HE2      TYR  97  19.417  -4.026 -29.578
  709    HH   TYR  97           HH       TYR  97  18.650  -3.058 -26.291
   
  No H/Q in entry =         709