*HEADER   POTASSIUM CHANNEL INHIBITOR             11-JAN-96   1ROO    
*TITLE    NMR SOLUTION STRUCTURE OF SHK TOXIN, NMR, 20 STRUCTURES     
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: SHK TOXIN;                                       
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 SYNONYM: SHKTX;                                            
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES;                                            
*SOURCE  3 ORGANISM_SCIENTIFIC: STICHODACTYLA HELIANTHUS;             
*SOURCE  4 ORGANISM_COMMON: SUN ANEMONE                               
*KEYWDS   NEUROTOXIN, POTASSIUM CHANNEL INHIBITOR                     
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   J.E.TUDOR,P.K.PALLAGHY,M.W.PENNINGTON,R.S.NORTON            
*REVDAT  1   27-JAN-97 1ROO    0                                      

# Here are the NOE contraints.  The dihedral constraints are at the
end of the section.
 
!1 ARG
 assign (resid  1 and name  HB#) (resid  1 and name   HE) 0 -1.78 6.90
 assign (resid  1 and name  HG#) (resid  2 and name   HN) 0 -1.78 6.90
 !2 SER
 assign (resid  2 and name   HA) (resid  3 and name   HN) 0 -1.78 2.87
 assign (resid  2 and name  HB#) (resid  4 and name HG2#) 0 -1.78 6.91
 !3 CYS
 assign (resid  3 and name   HN) (resid  4 and name   HN) 0 -1.78 5.10
 assign (resid  3 and name   HN) (resid  4 and name HG2#) 0 -1.78 6.03
 assign (resid  3 and name   HA) (resid  4 and name   HN) 0 -1.78 3.25
 assign (resid  3 and name   CB) (resid 35 and name   SG) 0 -3.00 3.10
 assign (resid  3 and name   SG) (resid 35 and name   CB) 0 -3.00 3.10
 assign (resid  3 and name   SG) (resid 35 and name   SG) 0 -2.00 2.10
 !4 ILE
 assign (resid  4 and name   HN) (resid  4 and name HG2#) 0 -1.78 4.90
 assign (resid  4 and name   HN) (resid  4 and name HG11) 0 -1.78 3.74
 assign (resid  4 and name   HN) (resid  4 and name HG12) 0 -1.78 3.74
 assign (resid  4 and name   HN) (resid  4 and name HG1#) 0 -1.78 3.55
 assign (resid  4 and name   HN) (resid  5 and name   HN) 0 -1.78 4.26
 assign (resid  4 and name   HN) (resid 30 and name   HN) 0 -1.78 4.50
 assign (resid  4 and name   HA) (resid  5 and name   HN) 0 -1.78 2.69
 assign (resid  4 and name   HA) (resid 30 and name  HB#) 0 -1.78 4.47
 assign (resid  4 and name   HA) (resid 30 and name  HG#) 0 -1.78 4.42
 assign (resid  4 and name   HA) (resid 30 and name  HD#) 0 -1.78 6.90
 assign (resid  4 and name   HA) (resid 30 and name  HE#) 0 -1.78 6.90
 assign (resid  4 and name   HB) (resid  5 and name   HN) 0 -1.78 3.29
 assign (resid  4 and name HG2#) (resid  5 and name   HN) 0 -1.78 4.92
 assign (resid  4 and name HG11) (resid  5 and name   HN) 0 -1.78 4.70
 assign (resid  4 and name HG12) (resid  5 and name   HN) 0 -1.78 4.70
 assign (resid  4 and name HG1#) (resid  5 and name   HN) 0 -1.78 4.34
 !5 ASP
 assign (resid  5 and name   HN) (resid  5 and name  HB1) 0 -1.78 3.73
 assign (resid  5 and name   HN) (resid  5 and name  HB2) 0 -1.78 3.73
 assign (resid  5 and name   HN) (resid  5 and name  HB#) 0 -1.78 3.47
 assign (resid  5 and name   HN) (resid  6 and name   HN) 0 -1.78 4.59
 assign (resid  5 and name   HN) (resid 30 and name   HN) 0 -1.78 4.43
 assign (resid  5 and name   HN) (resid 30 and name  HB#) 0 -1.78 5.18
 assign (resid  5 and name   HN) (resid 30 and name  HG#) 0 -1.78 5.07
 assign (resid  5 and name   HN) (resid 30 and name  HD#) 0 -1.78 6.20
 assign (resid  5 and name   HA) (resid  6 and name   HN) 0 -1.78 2.70
 assign (resid  5 and name   HA) (resid  7 and name   HN) 0 -1.78 3.70
 assign (resid  5 and name   HA) (resid 28 and name   HA) 0 -1.78 3.06
 assign (resid  5 and name   HA) (resid 29 and name   HN) 0 -1.78 3.87
 assign (resid  5 and name   HA) (resid 30 and name   HN) 0 -1.78 3.70
 assign (resid  5 and name  HB1) (resid  6 and name   HN) 0 -1.78 4.14
 assign (resid  5 and name  HB2) (resid  6 and name   HN) 0 -1.78 4.14
 assign (resid  5 and name  HB#) (resid  6 and name   HN) 0 -1.78 3.82
 assign (resid  5 and name  HB#) (resid  7 and name   HN) 0 -1.78 4.71
 assign (resid  5 and name  HB#) (resid 28 and name   HA) 0 -1.78 5.51
 !6 THR
 assign (resid  6 and name   HN) (resid  7 and name   HN) 0 -1.78 2.80
 assign (resid  6 and name   HN) (resid  7 and name HG2#) 0 -1.78 6.36
 assign (resid  6 and name   HN) (resid  7 and name HG1#) 0 -1.78 4.98
 assign (resid  6 and name   HN) (resid  7 and name HD1#) 0 -1.78 5.62
 assign (resid  6 and name   HN) (resid 27 and name  HB#) 0 -1.78 6.88
 assign (resid  6 and name   HN) (resid 28 and name   HA) 0 -1.78 4.52
 assign (resid  6 and name   HN) (resid 29 and name   HN) 0 -1.78 4.52
 assign (resid  6 and name   HA) (resid  7 and name   HN) 0 -1.78 3.39
 assign (resid  6 and name   HB) (resid  7 and name HG2#) 0 -1.78 6.04
 assign (resid  6 and name HG2#) (resid 27 and name  HD#) 0 -1.78 9.50
 !7 ILE
 assign (resid  7 and name   HN) (resid  7 and name HG2#) 0 -1.78 4.73
 assign (resid  7 and name   HN) (resid  7 and name HG1#) 0 -1.78 4.23
 assign (resid  7 and name   HN) (resid 27 and name  HB#) 0 -1.78 6.88
 assign (resid  7 and name   HA) (resid  7 and name HG1#) 0 -1.78 3.67
 assign (resid  7 and name   HA) (resid  8 and name  HD2) 0 -1.78 3.35
 assign (resid  7 and name   HA) (resid  8 and name  HD1) 0 -1.78 3.35
 assign (resid  7 and name   HA) (resid  8 and name  HD#) 0 -1.78 3.15
 assign (resid  7 and name HG2#) (resid  8 and name  HD2) 0 -1.78 5.55
 assign (resid  7 and name HG2#) (resid  8 and name  HD1) 0 -1.78 5.55
 assign (resid  7 and name HG2#) (resid  8 and name  HD#) 0 -1.78 5.20
 assign (resid  7 and name HG2#) (resid 27 and name  HB1) 0 -1.78 6.80
 assign (resid  7 and name HG2#) (resid 27 and name  HB2) 0 -1.78 6.80
 assign (resid  7 and name HG2#) (resid 27 and name  HB#) 0 -1.78 6.29
 assign (resid  7 and name HG1#) (resid  8 and name  HD#) 0 -1.78 5.83
 assign (resid  7 and name HG1#) (resid 11 and name  HB1) 0 -1.78 5.86
 assign (resid  7 and name HG1#) (resid 27 and name  HB#) 0 -1.78 5.07
 assign (resid  7 and name HD1#) (resid  8 and name  HB2) 0 -1.78 6.32
 assign (resid  7 and name HD1#) (resid  8 and name  HG#) 0 -1.78 6.40
 assign (resid  7 and name HD1#) (resid  8 and name  HD#) 0 -1.78 6.43
 assign (resid  7 and name HD1#) (resid 11 and name  HB1) 0 -1.78 5.71
 assign (resid  7 and name HD1#) (resid 11 and name  HD1) 0 -1.78 6.08
 assign (resid  7 and name HD1#) (resid 11 and name  HD2) 0 -1.78 6.08
 assign (resid  7 and name HD1#) (resid 11 and name  HD#) 0 -1.78 5.75
 assign (resid  7 and name HD1#) (resid 12 and name   HN) 0 -1.78 7.10
 assign (resid  7 and name HD1#) (resid 23 and name  HE#) 0 -1.78 7.75
 assign (resid  7 and name HD1#) (resid 27 and name  HB1) 0 -1.78 5.07
 assign (resid  7 and name HD1#) (resid 27 and name  HB2) 0 -1.78 5.07
 assign (resid  7 and name HD1#) (resid 27 and name  HB#) 0 -1.78 4.78
 !8 PRO
 assign (resid  8 and name   HA) (resid  9 and name   HN) 0 -1.78 2.80
 assign (resid  8 and name   HA) (resid 10 and name   HN) 0 -1.78 4.34
 assign (resid  8 and name  HB1) (resid  9 and name   HN) 0 -1.78 3.85
 assign (resid  8 and name  HB1) (resid 10 and name   HN) 0 -1.78 4.42
 assign (resid  8 and name  HB2) (resid  9 and name   HN) 0 -1.78 4.05
 assign (resid  8 and name  HG#) (resid 30 and name  HG#) 0 -1.78 5.99
 assign (resid  8 and name  HD2) (resid  9 and name  HB1) 0 -1.78 6.18
 assign (resid  8 and name  HD2) (resid  9 and name  HB2) 0 -1.78 6.18
 assign (resid  8 and name  HD1) (resid  9 and name  HB1) 0 -1.78 6.18
 assign (resid  8 and name  HD1) (resid  9 and name  HB2) 0 -1.78 6.18
 assign (resid  8 and name  HD#) (resid  9 and name  HB#) 0 -1.78 4.96
 assign (resid  8 and name  HD#) (resid 11 and name  HD#) 0 -1.78 6.23
 !9 LYS
 assign (resid  9 and name   HN) (resid  9 and name   HA) 0 -1.78 2.77
 assign (resid  9 and name   HN) (resid  9 and name  HB1) 0 -1.78 3.58
 assign (resid  9 and name   HN) (resid  9 and name  HB2) 0 -1.78 3.58
 assign (resid  9 and name   HN) (resid  9 and name  HG#) 0 -1.78 5.09
 assign (resid  9 and name   HA) (resid 12 and name   HN) 0 -1.78 3.35
 assign (resid  9 and name   HA) (resid 32 and name  HB#) 0 -1.78 5.23
 assign (resid  9 and name  HB#) (resid 10 and name   HN) 0 -1.78 5.23
 assign (resid  9 and name  HG#) (resid 10 and name   HA) 0 -1.78 4.76
 !10 SER
 assign (resid 10 and name   HN) (resid 11 and name   HN) 0 -1.78 2.98
 assign (resid 10 and name   HN) (resid 12 and name   HN) 0 -1.78 4.03
 assign (resid 10 and name   HA) (resid 11 and name  HG#) 0 -1.78 4.49
 assign (resid 10 and name   HA) (resid 12 and name   HN) 0 -1.78 3.96
 !11 ARG
 assign (resid 11 and name   HN) (resid 11 and name  HB1) 0 -1.78 3.76
 assign (resid 11 and name   HN) (resid 11 and name  HB2) 0 -1.78 3.76
 assign (resid 11 and name   HN) (resid 11 and name  HG#) 0 -1.78 4.52
 assign (resid 11 and name   HN) (resid 11 and name  HD#) 0 -1.78 5.42
 assign (resid 11 and name   HN) (resid 12 and name   HN) 0 -1.78 2.60
 assign (resid 11 and name   HA) (resid 12 and name   HN) 0 -1.78 3.49
 assign (resid 11 and name   HA) (resid 13 and name HG2#) 0 -1.78 5.50
 assign (resid 11 and name  HB1) (resid 11 and name   HE) 0 -1.78 4.19
 assign (resid 11 and name  HB1) (resid 12 and name   HN) 0 -1.78 4.48
 assign (resid 11 and name  HB2) (resid 11 and name   HE) 0 -1.78 4.19
 assign (resid 11 and name  HB2) (resid 12 and name   HN) 0 -1.78 4.48
 assign (resid 11 and name  HB2) (resid 23 and name  HE#) 0 -1.78 7.68
 assign (resid 11 and name  HG#) (resid 12 and name   HN) 0 -1.78 5.75
 !12 CYS
 assign (resid 12 and name   HN) (resid 12 and name  HB1) 0 -1.78 3.35
 assign (resid 12 and name   HN) (resid 12 and name  HB2) 0 -1.78 3.81
 assign (resid 12 and name   HN) (resid 13 and name   HN) 0 -1.78 4.03
 assign (resid 12 and name   HA) (resid 13 and name   HN) 0 -1.78 2.75
 assign (resid 12 and name   HA) (resid 23 and name  HD#) 0 -1.78 6.51
 assign (resid 12 and name   CB) (resid 28 and name   SG) 0 -3.00 3.10
 assign (resid 12 and name  HB1) (resid 13 and name   HN) 0 -1.78 3.52
 assign (resid 12 and name  HB1) (resid 13 and name HG2#) 0 -1.78 4.84
 assign (resid 12 and name   SG) (resid 28 and name   CB) 0 -3.00 3.10
 assign (resid 12 and name   SG) (resid 28 and name   SG) 0 -2.00 2.10
 !13 THR
 assign (resid 13 and name   HN) (resid 13 and name HG2#) 0 -1.78 4.72
 assign (resid 13 and name   HN) (resid 14 and name   HN) 0 -1.78 4.52
 assign (resid 13 and name   HN) (resid 16 and name   HN) 0 -1.78 3.91
 assign (resid 13 and name   HN) (resid 16 and name  HB1) 0 -1.78 4.24
 assign (resid 13 and name   HN) (resid 16 and name  HB2) 0 -1.78 4.24
 assign (resid 13 and name   HN) (resid 16 and name  HB#) 0 -1.78 3.90
 assign (resid 13 and name   HN) (resid 16 and name  HG1) 0 -1.78 4.55
 assign (resid 13 and name   HN) (resid 16 and name  HG2) 0 -1.78 4.55
 assign (resid 13 and name   HN) (resid 16 and name  HG#) 0 -1.78 4.28
 assign (resid 13 and name   HN) (resid 17 and name   HN) 0 -1.78 4.26
 assign (resid 13 and name   HA) (resid 14 and name   HN) 0 -1.78 2.71
 assign (resid 13 and name   HA) (resid 14 and name  HB#) 0 -1.78 5.95
 assign (resid 13 and name   HA) (resid 15 and name   HN) 0 -1.78 4.00
 assign (resid 13 and name   HA) (resid 16 and name   HN) 0 -1.78 4.78
 assign (resid 13 and name   HB) (resid 14 and name   HN) 0 -1.78 3.46
 assign (resid 13 and name   HB) (resid 15 and name   HN) 0 -1.78 3.73
 assign (resid 13 and name   HB) (resid 16 and name   HN) 0 -1.78 4.30
 assign (resid 13 and name HG2#) (resid 14 and name   HN) 0 -1.78 5.84
 assign (resid 13 and name HG2#) (resid 15 and name   HN) 0 -1.78 6.18
 assign (resid 13 and name  HG1) (resid 15 and name   HN) 0 -1.78 5.21
 assign (resid 13 and name  HG1) (resid 15 and name  HB#) 0 -1.78 5.17
 assign (resid 13 and name  HG1) (resid 16 and name   HN) 0 -1.78 4.40
 assign (resid 13 and name  HG1) (resid 16 and name  HB#) 0 -1.78 5.38
 assign (resid 13 and name  HG1) (resid 16 and name  HG#) 0 -1.78 5.69
 !14 ALA
 assign (resid 14 and name   HN) (resid 15 and name   HN) 0 -1.78 3.31
 assign (resid 14 and name   HN) (resid 16 and name   HN) 0 -1.78 4.61
 assign (resid 14 and name   HA) (resid 17 and name   HN) 0 -1.78 3.40
 assign (resid 14 and name   HA) (resid 17 and name  HB#) 0 -1.78 4.52
 !15 PHE
 assign (resid 15 and name   HN) (resid 15 and name  HB1) 0 -1.78 3.45
 assign (resid 15 and name   HN) (resid 15 and name  HB2) 0 -1.78 3.45
 assign (resid 15 and name   HN) (resid 15 and name  HB#) 0 -1.78 3.22
 assign (resid 15 and name   HN) (resid 15 and name  HD#) 0 -1.78 7.28
 assign (resid 15 and name   HA) (resid 18 and name   HN) 0 -1.78 3.71
 assign (resid 15 and name   HA) (resid 19 and name  HE1) 0 -1.78 3.93
 assign (resid 15 and name  HB1) (resid 16 and name   HN) 0 -1.78 4.01
 assign (resid 15 and name  HB2) (resid 16 and name   HN) 0 -1.78 4.01
 assign (resid 15 and name  HB#) (resid 16 and name   HN) 0 -1.78 3.67
 assign (resid 15 and name   HZ) (resid 19 and name  HD2) 0 -1.78 6.80
 assign (resid 15 and name  HD#) (resid 16 and name   HN) 0 -1.78 6.90
 assign (resid 15 and name  HE#) (resid 16 and name  HG#) 0 -1.78 7.28
 assign (resid 15 and name  HD#) (resid 19 and name  HD2) 0 -1.78 6.86
 !16 GLN
 assign (resid 16 and name   HN) (resid 16 and name  HB1) 0 -1.78 3.83
 assign (resid 16 and name   HN) (resid 16 and name  HB2) 0 -1.78 3.83
 assign (resid 16 and name   HN) (resid 16 and name  HB#) 0 -1.78 3.54
 assign (resid 16 and name   HN) (resid 16 and name  HG#) 0 -1.78 4.26
 assign (resid 16 and name   HN) (resid 17 and name   HN) 0 -1.78 2.80
 assign (resid 16 and name   HA) (resid 16 and name  HG#) 0 -1.78 3.82
 assign (resid 16 and name   HA) (resid 19 and name   HN) 0 -1.78 5.50
 assign (resid 16 and name  HB1) (resid 16 and name HE21) 0 -1.78 6.00
 assign (resid 16 and name  HB1) (resid 23 and name  HD#) 0 -1.78 6.85
 assign (resid 16 and name  HB2) (resid 16 and name HE21) 0 -1.78 6.00
 assign (resid 16 and name  HB2) (resid 23 and name  HD#) 0 -1.78 6.85
 assign (resid 16 and name  HB#) (resid 23 and name  HB2) 0 -1.78 4.80
 assign (resid 16 and name  HB#) (resid 23 and name  HD#) 0 -1.78 6.57
 assign (resid 16 and name  HG1) (resid 17 and name   HN) 0 -1.78 4.85
 assign (resid 16 and name  HG2) (resid 17 and name   HN) 0 -1.78 4.85
 assign (resid 16 and name  HG#) (resid 16 and name HE22) 0 -1.78 3.81
 assign (resid 16 and name  HG#) (resid 17 and name   HN) 0 -1.78 4.66
 assign (resid 16 and name  HG#) (resid 23 and name  HE#) 0 -1.78 7.14
 !17 CYS
 assign (resid 17 and name   HN) (resid 17 and name  HB#) 0 -1.78 3.68
 assign (resid 17 and name   HN) (resid 18 and name   HN) 0 -1.78 3.09
 assign (resid 17 and name   HA) (resid 23 and name  HB2) 0 -1.78 4.22
 assign (resid 17 and name   HA) (resid 24 and name   HN) 0 -1.78 3.95
 assign (resid 17 and name   HA) (resid 24 and name   HA) 0 -1.78 3.86
 assign (resid 17 and name   HA) (resid 24 and name  HB#) 0 -1.78 4.58
 assign (resid 17 and name   HA) (resid 32 and name  HB#) 0 -1.78 4.55
 assign (resid 17 and name   CB) (resid 32 and name   SG) 0 -3.00 3.10
 assign (resid 17 and name  HB1) (resid 18 and name   HN) 0 -1.78 3.93
 assign (resid 17 and name  HB2) (resid 18 and name   HN) 0 -1.78 3.93
 assign (resid 17 and name  HB#) (resid 18 and name   HN) 0 -1.78 3.68
 assign (resid 17 and name  HB#) (resid 32 and name   HA) 0 -1.78 5.09
 assign (resid 17 and name   SG) (resid 32 and name   CB) 0 -3.00 3.10
 assign (resid 17 and name   SG) (resid 32 and name   SG) 0 -2.00 2.10
 !18 LYS
 assign (resid 18 and name   HN) (resid 18 and name  HB1) 0 -1.78 3.46
 assign (resid 18 and name   HN) (resid 18 and name  HB2) 0 -1.78 3.46
 assign (resid 18 and name   HN) (resid 18 and name  HG#) 0 -1.78 5.44
 assign (resid 18 and name   HN) (resid 18 and name  HD#) 0 -1.78 5.68
 assign (resid 18 and name   HN) (resid 19 and name   HN) 0 -1.78 2.89
 assign (resid 18 and name   HN) (resid 20 and name   HN) 0 -1.78 4.10
 assign (resid 18 and name   HA) (resid 18 and name  HD#) 0 -1.78 5.21
 assign (resid 18 and name  HB1) (resid 19 and name   HN) 0 -1.78 3.90
 assign (resid 18 and name  HB1) (resid 19 and name  HE1) 0 -1.78 4.26
 assign (resid 18 and name  HB2) (resid 19 and name   HN) 0 -1.78 3.90
 assign (resid 18 and name  HB2) (resid 19 and name  HE1) 0 -1.78 4.26
 !19 HIS
 assign (resid 19 and name   HN) (resid 19 and name  HB1) 0 -1.78 3.41
 assign (resid 19 and name   HN) (resid 19 and name  HB2) 0 -1.78 3.84
 assign (resid 19 and name   HN) (resid 19 and name  HE1) 0 -1.78 4.27
 assign (resid 19 and name   HN) (resid 20 and name   HN) 0 -1.78 2.98
 assign (resid 19 and name   HA) (resid 19 and name  HE1) 0 -1.78 4.49
 assign (resid 19 and name  HB1) (resid 19 and name  HE1) 0 -1.78 4.80
 assign (resid 19 and name  HB1) (resid 20 and name   HN) 0 -1.78 4.35
 assign (resid 19 and name  HB2) (resid 19 and name  HE1) 0 -1.78 4.80
 assign (resid 19 and name  HB2) (resid 20 and name   HN) 0 -1.78 4.14
 !20 SER
 assign (resid 20 and name   HN) (resid 20 and name  HB1) 0 -1.78 3.50
 assign (resid 20 and name   HN) (resid 23 and name  HB1) 0 -1.78 4.66
 assign (resid 20 and name   HA) (resid 21 and name   HN) 0 -1.78 2.74
 assign (resid 20 and name   HA) (resid 22 and name   HN) 0 -1.78 4.00
 !21 MET
 assign (resid 21 and name   HN) (resid 21 and name   HA) 0 -1.78 2.92
 assign (resid 21 and name   HN) (resid 21 and name  HB#) 0 -1.78 3.77
 assign (resid 21 and name   HN) (resid 21 and name  HG#) 0 -1.78 5.74
 assign (resid 21 and name   HN) (resid 21 and name  HE#) 0 -1.78 5.41
 assign (resid 21 and name   HN) (resid 22 and name   HN) 0 -1.78 3.19
 assign (resid 21 and name   HN) (resid 23 and name   HN) 0 -1.78 4.15
 assign (resid 21 and name   HN) (resid 24 and name  HB#) 0 -1.78 6.88
 assign (resid 21 and name   HN) (resid 25 and name HD1#) 0 -1.78 6.00
 assign (resid 21 and name   HA) (resid 21 and name  HE#) 0 -1.78 5.19
 assign (resid 21 and name   HA) (resid 24 and name   HN) 0 -1.78 3.30
 assign (resid 21 and name   HA) (resid 24 and name  HB#) 0 -1.78 4.69
 assign (resid 21 and name   HA) (resid 24 and name   HE) 0 -1.78 4.78
 assign (resid 21 and name   HA) (resid 25 and name   HN) 0 -1.78 3.58
 assign (resid 21 and name   HA) (resid 25 and name HD1#) 0 -1.78 5.64
 assign (resid 21 and name  HB#) (resid 25 and name   HG) 0 -1.78 6.88
 assign (resid 21 and name  HB#) (resid 25 and name HD1#) 0 -1.78 6.13
 assign (resid 21 and name  HG#) (resid 25 and name HD1#) 0 -1.78 6.72
 assign (resid 21 and name  HE#) (resid 22 and name   HN) 0 -1.78 5.42
 assign (resid 21 and name  HE#) (resid 23 and name   HN) 0 -1.78 6.90
 assign (resid 21 and name  HE#) (resid 25 and name HD1#) 0 -1.78 8.20
 !22 LYS
 assign (resid 22 and name   HN) (resid 22 and name  HG#) 0 -1.78 4.67
 assign (resid 22 and name   HN) (resid 22 and name  HD#) 0 -1.78 5.31
 assign (resid 22 and name   HN) (resid 23 and name   HN) 0 -1.78 3.04
 assign (resid 22 and name   HN) (resid 23 and name  HD#) 0 -1.78 8.04
 assign (resid 22 and name   HA) (resid 22 and name  HD#) 0 -1.78 5.00
 assign (resid 22 and name   HA) (resid 23 and name   HN) 0 -1.78 3.39
 assign (resid 22 and name   HA) (resid 23 and name  HD#) 0 -1.78 6.46
 assign (resid 22 and name   HA) (resid 25 and name   HN) 0 -1.78 3.36
 assign (resid 22 and name   HA) (resid 25 and name HD1#) 0 -1.78 5.09
 assign (resid 22 and name   HA) (resid 26 and name   HN) 0 -1.78 3.77
 assign (resid 22 and name  HB#) (resid 23 and name   HN) 0 -1.78 5.22
 assign (resid 22 and name  HB#) (resid 23 and name  HD#) 0 -1.78 7.91
 assign (resid 22 and name  HB#) (resid 27 and name  HD#) 0 -1.78 9.30
 assign (resid 22 and name  HG#) (resid 23 and name   HN) 0 -1.78 5.32
 assign (resid 22 and name  HD#) (resid 23 and name   HN) 0 -1.78 6.55
 assign (resid 22 and name  HD#) (resid 23 and name  HD#) 0 -1.78 8.02
 assign (resid 22 and name  HD#) (resid 26 and name  HB#) 0 -1.78 7.11
 assign (resid 22 and name  HD#) (resid 27 and name  HD#) 0 -1.78 9.30
 !23 TYR
 assign (resid 23 and name   HN) (resid 23 and name  HB1) 0 -1.78 3.43
 assign (resid 23 and name   HN) (resid 23 and name  HB2) 0 -1.78 3.74
 assign (resid 23 and name   HN) (resid 23 and name  HD#) 0 -1.78 6.07
 assign (resid 23 and name   HN) (resid 24 and name  HB#) 0 -1.78 6.88
 assign (resid 23 and name   HA) (resid 23 and name  HB2) 0 -1.78 3.04
 assign (resid 23 and name   HA) (resid 27 and name  HD#) 0 -1.78 6.32
 assign (resid 23 and name   HA) (resid 28 and name   HN) 0 -1.78 3.77
 assign (resid 23 and name  HB1) (resid 24 and name   HN) 0 -1.78 3.67
 assign (resid 23 and name  HB2) (resid 24 and name   HN) 0 -1.78 3.99
 assign (resid 23 and name  HD#) (resid 24 and name   HN) 0 -1.78 7.01
 assign (resid 23 and name  HE#) (resid 27 and name  HD#) 0 -1.78 9.67
 !24 ARG
 assign (resid 24 and name   HN) (resid 24 and name  HB1) 0 -1.78 3.48
 assign (resid 24 and name   HN) (resid 24 and name  HB2) 0 -1.78 3.48
 assign (resid 24 and name   HN) (resid 24 and name  HG#) 0 -1.78 5.16
 assign (resid 24 and name   HN) (resid 25 and name   HN) 0 -1.78 3.04
 assign (resid 24 and name   HA) (resid 24 and name  HD#) 0 -1.78 4.37
 assign (resid 24 and name   HA) (resid 28 and name  HB1) 0 -1.78 3.77
 assign (resid 24 and name   HA) (resid 32 and name  HB#) 0 -1.78 4.31
 assign (resid 24 and name  HB1) (resid 24 and name   HE) 0 -1.78 3.95
 assign (resid 24 and name  HB2) (resid 24 and name   HE) 0 -1.78 3.95
 assign (resid 24 and name  HB#) (resid 24 and name  HD#) 0 -1.78 3.40
 assign (resid 24 and name  HB#) (resid 24 and name   HE) 0 -1.78 3.76
 assign (resid 24 and name  HB#) (resid 24 and name HH1#) 0 -1.78 7.78
 assign (resid 24 and name  HB#) (resid 24 and name HH2#) 0 -1.78 7.78
 assign (resid 24 and name  HD1) (resid 34 and name HG2#) 0 -1.78 5.79
 assign (resid 24 and name  HD2) (resid 34 and name HG2#) 0 -1.78 5.79
 assign (resid 24 and name  HD#) (resid 34 and name HG2#) 0 -1.78 5.61
 assign (resid 24 and name   HE) (resid 34 and name HG2#) 0 -1.78 6.43
 !25 LEU
 assign (resid 25 and name   HN) (resid 25 and name  HB1) 0 -1.78 3.25
 assign (resid 25 and name   HN) (resid 25 and name  HB2) 0 -1.78 3.60
 assign (resid 25 and name   HN) (resid 25 and name   HG) 0 -1.78 3.37
 assign (resid 25 and name   HN) (resid 25 and name HD1#) 0 -1.78 5.55
 assign (resid 25 and name   HN) (resid 26 and name   HN) 0 -1.78 2.89
 assign (resid 25 and name   HA) (resid 25 and name HD2#) 0 -1.78 4.66
 assign (resid 25 and name   HA) (resid 29 and name   HE) 0 -1.78 4.58
 assign (resid 25 and name  HB1) (resid 26 and name   HN) 0 -1.78 3.95
 assign (resid 25 and name  HB2) (resid 25 and name   HG) 0 -1.78 2.82
 !26 SER
 assign (resid 26 and name   HN) (resid 29 and name   HN) 0 -1.78 4.26
 assign (resid 26 and name  HB1) (resid 27 and name   HN) 0 -1.78 3.50
 assign (resid 26 and name  HB1) (resid 27 and name  HD#) 0 -1.78 7.38
 assign (resid 26 and name  HB2) (resid 27 and name   HN) 0 -1.78 3.50
 assign (resid 26 and name  HB2) (resid 27 and name  HD#) 0 -1.78 7.38
 assign (resid 26 and name  HB#) (resid 27 and name  HD#) 0 -1.78 7.25
 !27 PHE
 assign (resid 27 and name   HN) (resid 27 and name  HB#) 0 -1.78 3.86
 assign (resid 27 and name   HN) (resid 27 and name  HD#) 0 -1.78 6.57
 assign (resid 27 and name   HN) (resid 28 and name   HN) 0 -1.78 2.93
 assign (resid 27 and name   HA) (resid 28 and name   HN) 0 -1.78 3.64
 assign (resid 27 and name  HB#) (resid 30 and name  HG#) 0 -1.78 6.87
 !28 CYS
 assign (resid 28 and name   HN) (resid 28 and name  HB1) 0 -1.78 3.40
 assign (resid 28 and name   HN) (resid 28 and name  HB2) 0 -1.78 3.69
 assign (resid 28 and name   HN) (resid 29 and name   HN) 0 -1.78 3.61
 assign (resid 28 and name   HN) (resid 29 and name  HG#) 0 -1.78 5.67
 assign (resid 28 and name   HA) (resid 29 and name   HN) 0 -1.78 3.29
 assign (resid 28 and name   HA) (resid 30 and name   HN) 0 -1.78 3.94
 assign (resid 28 and name   HA) (resid 31 and name   HN) 0 -1.78 4.03
 assign (resid 28 and name   HA) (resid 32 and name   HN) 0 -1.78 5.50
 assign (resid 28 and name  HB1) (resid 32 and name   HN) 0 -1.78 4.22
 assign (resid 28 and name  HB1) (resid 33 and name  HA#) 0 -1.78 5.71
 assign (resid 28 and name  HB2) (resid 31 and name   HN) 0 -1.78 4.15
 !29 ARG
 assign (resid 29 and name   HN) (resid 29 and name  HB1) 0 -1.78 3.46
 assign (resid 29 and name   HN) (resid 29 and name  HB2) 0 -1.78 3.51
 assign (resid 29 and name   HN) (resid 29 and name  HG#) 0 -1.78 4.36
 assign (resid 29 and name   HN) (resid 29 and name  HD1) 0 -1.78 4.63
 assign (resid 29 and name   HN) (resid 29 and name  HD2) 0 -1.78 4.63
 assign (resid 29 and name   HN) (resid 29 and name  HD#) 0 -1.78 4.25
 assign (resid 29 and name   HN) (resid 30 and name   HN) 0 -1.78 3.22
 assign (resid 29 and name   HA) (resid 34 and name   HN) 0 -1.78 3.36
 assign (resid 29 and name   HA) (resid 34 and name   HB) 0 -1.78 3.68
 assign (resid 29 and name  HB1) (resid 29 and name  HD1) 0 -1.78 3.76
 assign (resid 29 and name  HB1) (resid 29 and name  HD2) 0 -1.78 3.76
 assign (resid 29 and name  HB1) (resid 29 and name   HE) 0 -1.78 4.10
 assign (resid 29 and name  HB2) (resid 29 and name   HE) 0 -1.78 3.90
 !30 LYS
 assign (resid 30 and name   HN) (resid 30 and name  HG#) 0 -1.78 4.48
 assign (resid 30 and name   HN) (resid 30 and name  HD#) 0 -1.78 5.08
 assign (resid 30 and name   HN) (resid 31 and name   HN) 0 -1.78 2.98
 assign (resid 30 and name   HN) (resid 32 and name   HN) 0 -1.78 4.20
 assign (resid 30 and name  HB#) (resid 30 and name  HE#) 0 -1.78 6.50
 assign (resid 30 and name  HB#) (resid 31 and name   HN) 0 -1.78 4.65
 !31 THR
 assign (resid 31 and name   HN) (resid 31 and name   HB) 0 -1.78 3.39
 assign (resid 31 and name   HN) (resid 32 and name   HN) 0 -1.78 3.22
 assign (resid 31 and name   HN) (resid 32 and name  HB#) 0 -1.78 5.28
 assign (resid 31 and name   HN) (resid 33 and name   HN) 0 -1.78 4.77
 assign (resid 31 and name   HA) (resid 31 and name   HB) 0 -1.78 2.85
 assign (resid 31 and name   HA) (resid 32 and name   HN) 0 -1.78 3.49
 assign (resid 31 and name   HA) (resid 33 and name   HN) 0 -1.78 3.93
 assign (resid 31 and name HG2#) (resid 32 and name   HN) 0 -1.78 5.82
 assign (resid 31 and name HG2#) (resid 32 and name  HB#) 0 -1.78 6.14
 !32 CYS
 assign (resid 32 and name   HN) (resid 32 and name  HB1) 0 -1.78 3.57
 assign (resid 32 and name   HN) (resid 32 and name  HB2) 0 -1.78 3.57
 assign (resid 32 and name   HN) (resid 32 and name  HB#) 0 -1.78 3.38
 assign (resid 32 and name   HN) (resid 33 and name   HN) 0 -1.78 3.07
 assign (resid 32 and name   HN) (resid 34 and name   HN) 0 -1.78 4.70
 assign (resid 32 and name   HA) (resid 33 and name   HN) 0 -1.78 3.62
 assign (resid 32 and name  HB1) (resid 33 and name  HA#) 0 -1.78 4.60
 assign (resid 32 and name  HB2) (resid 33 and name  HA#) 0 -1.78 4.60
 assign (resid 32 and name  HB#) (resid 33 and name   HN) 0 -1.78 5.09
 assign (resid 32 and name  HB#) (resid 33 and name  HA#) 0 -1.78 4.36
 assign (resid 32 and name  HB#) (resid 34 and name   HN) 0 -1.78 5.05
 !33 GLY
 assign (resid 33 and name   HN) (resid 34 and name   HN) 0 -1.78 3.03
 assign (resid 33 and name  HA#) (resid 34 and name HG2#) 0 -1.78 7.90
 !34 THR
 assign (resid 34 and name   HN) (resid 34 and name   HB) 0 -1.78 3.47
 assign (resid 34 and name   HN) (resid 35 and name   HN) 0 -1.78 2.90
 assign (resid 34 and name   HA) (resid 35 and name   HN) 0 -1.78 2.92
 !35 CYS
 assign (resid 35 and name   HN) (resid 35 and name  HB1) 0 -1.78 3.63
 assign (resid 35 and name   HN) (resid 35 and name  HB2) 0 -1.78 3.69
 !6 THR
 assign (resid  6 and name   HN) (resid 27 and name  HB2) 0 -3.50 1000.0
 !7ILE
 assign (resid  7 and name   HA) (resid  9 and name   HN) 0 -3.50 1000.0
 assign (resid  7 and name   HA) (resid 10 and name   HN) 0 -3.50 1000.0
 assign (resid  7 and name   HB) (resid 10 and name   HN) 0 -3.50 1000.0
 !8PRO
 assign (resid  8 and name   HA) (resid 11 and name   HN) 0 -3.50 1000.0
 assign (resid  8 and name  HB2) (resid 28 and name   HN) 0 -3.50 1000.0
 assign (resid  8 and name  HB1) (resid 28 and name   HN) 0 -3.50 1000.0
 !LYS9
 assign (resid  9 and name   HA) (resid 11 and name   HN) 0 -3.50 1000.0
 assign (resid  9 and name   HN) (resid 12 and name  HB2) 0 -3.50 1000.0
 assign (resid  9 and name   HN) (resid 12 and name  HB1) 0 -3.50 1000.0
 !SER10
 assign (resid 10 and name   HN) (resid 12 and name  HB2) 0 -3.50 1000.0
 !ARG11
 assign (resid 11 and name   HA) (resid 13 and name   HN) 0 -3.50 1000.0
 !13THR
 assign (resid 13 and name   HN) (resid 17 and name  HB1) 0 -3.50 1000.0
 !PHE15
 assign (resid 15 and name   HA) (resid 19 and name   HN) 0 -3.50 1000.0
 assign (resid 15 and name   HN) (resid 17 and name   HN) 0 -3.50 1000.0
 !GLN16
 assign (resid 16 and name   HA) (resid 18 and name   HN) 0 -3.50 1000.0
 assign (resid 16 and name  HB1) (resid 20 and name   HN) 0 -3.50 1000.0
 !CYS17
 assign (resid 17 and name   HN) (resid 19 and name   HN) 0 -3.50 1000.0
 !SER20
 assign (resid 20 and name  HB1) (resid 22 and name   HN) 0 -3.50 1000.0
 assign (resid 20 and name  HB1) (resid 23 and name   HN) 0 -3.50 1000.0
 assign (resid 20 and name  HB2) (resid 22 and name   HN) 0 -3.50 1000.0
 !ARG24
 assign (resid 24 and name  HB1) (resid 33 and name   HN) 0 -3.50 1000.0
 assign (resid 24 and name  HB2) (resid 33 and name   HN) 0 -3.50 1000.0
 assign (resid 24 and name   HN) (resid 26 and name   HN) 0 -3.50 1000.0
 !SER26
 assign (resid 26 and name  HB1) (resid 28 and name   HN) 0 -3.50 1000.0
 assign (resid 26 and name  HB2) (resid 28 and name   HN) 0 -3.50 1000.0
 assign (resid 26 and name   HN) (resid 33 and name   QA) 0 -3.50 1000.0
 !PHE27
 assign (resid 27 and name   HA) (resid 29 and name   HN) 0 -3.50 1000.0
 !CYS28
 assign (resid 28 and name  HB2) (resid 33 and name   HN) 0 -3.50 1000.0
 !ARG29
 assign (resid 29 and name   HA) (resid 33 and name   HN) 0 -3.50 1000.0
 assign (resid 29 and name   HA) (resid 35 and name   HN) 0 -3.50 1000.0 
 assign (resid 29 and name  HB1) (resid 34 and name   HN) 0 -3.50 1000.0
 assign (resid 29 and name   HN) (resid 33 and name   QA) 0 -3.50 1000.0
 !LYS30
 assign (resid 30 and name   QB) (resid 32 and name   HN) 0 -3.50 1000.0
 !THR31
 assign (resid 31 and name   HA) (resid 34 and name   HN) 0 -3.50 1000.0
 assign (resid 31 and name   HA) (resid 35 and name   HN) 0 -3.50 1000.0
 
constraints
        dihedral

        reset

                assign (resid  2 and name c) (resid  3 and name  n)
                  (resid  3 and name ca) (resid  3 and name c)  1 -120.0 40.0 2
                assign (resid  3 and name c) (resid  4 and name  n)
                  (resid  4 and name ca) (resid  4 and name c)  1 -120.0 30.0 2
                assign (resid 4 and name c) (resid 5 and name  n)
                  (resid 5 and name ca) (resid 5 and name c)  1 -120.0 40.0 2
                assign (resid 5 and name c) (resid 6 and name  n)
                  (resid 6 and name ca) (resid 6 and name c)  1 -120.0 30.0 2
                assign (resid 6 and name c) (resid 7 and name  n)
                  (resid 7 and name ca) (resid 7 and name c)  1 -120.0 30.0 2
                assign (resid 8 and name c) (resid 9 and name  n)
                  (resid 9 and name ca) (resid 9 and name c)  1 -60.0 30.0 2
                assign (resid 9 and name c) (resid 10 and name  n)
                  (resid 10 and name ca) (resid 10 and name c)  1 -60.0 40.0 2
                assign (resid 10 and name c) (resid 11 and name  n)
                  (resid 11 and name ca) (resid 11 and name c)  1 -120.0 40.0 2
                assign (resid 11 and name c) (resid 12 and name  n)
                  (resid 12 and name ca) (resid 12 and name c)  1 -120.0 40.0 2
                assign (resid 13 and name c) (resid 14 and name  n)
                  (resid 14 and name ca) (resid 14 and name c)  1 -60.0 40.0 2
                assign (resid 14 and name c) (resid 15 and name  n)
                  (resid 15 and name ca) (resid 15 and name c)  1 -60.0 40.0 2
                assign (resid 15 and name c) (resid 16 and name  n)
                  (resid 16 and name ca) (resid 16 and name c)  1 -60.0 40.0 2
                assign (resid 16 and name c) (resid 17 and name  n)
                  (resid 17 and name ca) (resid 17 and name c)  1 -60.0 40.0 2
                assign (resid 18 and name c) (resid 19 and name  n)
                  (resid 19 and name ca) (resid 19 and name c)  1 -120.0 40.0 2
                assign (resid 19 and name c) (resid 20 and name  n)
                  (resid 20 and name ca) (resid 20 and name c)  1 -120.0 40.0 2
                assign (resid 20 and name c) (resid 21 and name  n)
                  (resid 21 and name ca) (resid 21 and name c)  1 -60.0 40.0 2
                assign (resid 21 and name c) (resid 22 and name  n)
                  (resid 22 and name ca) (resid 22 and name c)  1 -60.0 40.0 2
                assign (resid 23 and name c) (resid 24 and name  n)
                  (resid 24 and name ca) (resid 24 and name c)  1 -60.0 40.0 2
                assign (resid 24 and name c) (resid 25 and name  n)
                  (resid 25 and name ca) (resid 25 and name c)  1 -120.0 40.0 2
                assign (resid 25 and name c) (resid 26 and name  n)
                  (resid 26 and name ca) (resid 26 and name c)  1 -120.0 30.0 2
                assign (resid 26 and name c) (resid 27 and name  n)
                  (resid 27 and name ca) (resid 27 and name c)  1 -60.0 40.0 2
                assign (resid 27 and name c) (resid 28 and name  n)
                  (resid 28 and name ca) (resid 28 and name c)  1 -120.0 30.0 2

!chi angles
                assign (resid  12 and name n) (resid  12 and name  ca)
                  (resid  12 and name cb) (resid  12 and name sg)  1 -60.0 40.0 2
                assign (resid 19 and name n) (resid 19 and name  ca)
                  (resid 19 and name cb) (resid 19 and name cg)  1 -60.0 40.0 2
                assign (resid 20 and name n) (resid 20 and name  ca)
                  (resid 20 and name cb) (resid 20 and name og)  1 -60.0 40.0 2
                assign (resid 23 and name n) (resid 23 and name  ca)
                  (resid 23 and name cb) (resid 23 and name cg)  1 -60.0 40.0 2
                assign (resid 25 and name n) (resid 25 and name  ca)
                  (resid 25 and name cb) (resid 25 and name cg)  1 -60.0 40.0 2
                assign (resid 11 and name n) (resid 11 and name  ca)
                  (resid 11 and name cb) (resid 11 and name cg)  1 -60.0 40.0 2
                assign (resid 28 and name n) (resid 28 and name  ca)
                  (resid 28 and name cb) (resid 28 and name sg)  1 -60.0 40.0 2
                assign (resid 29 and name n) (resid 29 and name  ca)
                  (resid 29 and name cb) (resid 29 and name cg)  1 -60.0 40.0 2
                assign (resid 35 and name n) (resid 35 and name  ca)
                  (resid 35 and name cb) (resid 35 and name sg)  1 -60.0 40.0 2

end
end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          2H        ARG   1  -0.071  -1.240  -3.834
    2   2H    ARG   1          1H        ARG   1  -0.353   0.154  -2.898
    3   3H    ARG   1          3H        ARG   1  -0.285   0.266  -4.594
    4    HA   ARG   1           HA       ARG   1   1.883   0.595  -4.532
    5   1HB   ARG   1          2HB       ARG   1   3.002   0.887  -2.268
    6   2HB   ARG   1          1HB       ARG   1   1.475   1.724  -2.360
    7   1HG   ARG   1          2HG       ARG   1   0.344  -0.060  -1.100
    8   2HG   ARG   1          1HG       ARG   1   1.803  -1.023  -1.082
    9   1HD   ARG   1          2HD       ARG   1   1.483   0.270   1.057
   10   2HD   ARG   1          1HD       ARG   1   2.972   0.744   0.252
   11    HE   ARG   1           HE       ARG   1   1.807   2.784  -0.539
   12   1HH1  ARG   1          1HH1      ARG   1  -0.903   1.426  -0.047
   13   2HH1  ARG   1          2HH1      ARG   1  -1.504   2.375   1.273
   14   1HH2  ARG   1          1HH2      ARG   1   1.652   3.735   1.924
   15   2HH2  ARG   1          2HH2      ARG   1  -0.013   3.735   2.416
   16    H    SER   2           H        SER   2   4.061  -0.421  -3.572
   17    HA   SER   2           HA       SER   2   3.813  -3.390  -3.778
   18   1HB   SER   2          2HB       SER   2   6.084  -1.639  -4.856
   19   2HB   SER   2          1HB       SER   2   5.916  -3.388  -5.083
   20    HG   SER   2           HG       SER   2   4.540  -2.952  -6.652
   21    H    CYS   3           H        CYS   3   5.148  -4.573  -2.453
   22    HA   CYS   3           HA       CYS   3   6.247  -3.121  -0.120
   23   1HB   CYS   3          2HB       CYS   3   5.662  -6.037  -0.664
   24   2HB   CYS   3          1HB       CYS   3   6.409  -5.497   0.798
   25    H    ILE   4           H        ILE   4   8.429  -2.492  -0.315
   26    HA   ILE   4           HA       ILE   4  10.335  -4.556  -1.114
   27    HB   ILE   4           HB       ILE   4  11.542  -2.718  -2.456
   28   1HG1  ILE   4          2HG1      ILE   4  10.380  -0.811  -1.158
   29   2HG1  ILE   4          1HG1      ILE   4  10.587  -0.595  -2.858
   30   1HG2  ILE   4          1HG2      ILE   4   8.718  -3.319  -3.435
   31   2HG2  ILE   4          3HG2      ILE   4  10.027  -2.717  -4.438
   32   3HG2  ILE   4          2HG2      ILE   4  10.138  -4.306  -3.700
   33   1HD1  ILE   4          2HD1      ILE   4   8.206  -1.179  -3.266
   34   2HD1  ILE   4          1HD1      ILE   4   7.940  -1.337  -1.548
   35   3HD1  ILE   4          3HD1      ILE   4   8.386   0.197  -2.208
   36    H    ASP   5           H        ASP   5  12.508  -3.766  -0.783
   37    HA   ASP   5           HA       ASP   5  12.754  -2.118   1.628
   38   1HB   ASP   5          2HB       ASP   5  13.841  -3.855   2.756
   39   2HB   ASP   5          1HB       ASP   5  12.286  -4.394   2.200
   40    H    THR   6           H        THR   6  14.815  -1.278   1.937
   41    HA   THR   6           HA       THR   6  16.624  -1.507  -0.449
   42    HB   THR   6           HB       THR   6  16.405   0.830   0.393
   43    HG1  THR   6           HG1      THR   6  18.762  -0.607   0.531
   44   1HG2  THR   6          3HG2      THR   6  17.507  -0.224   3.058
   45   2HG2  THR   6          2HG2      THR   6  17.113   1.443   2.679
   46   3HG2  THR   6          1HG2      THR   6  15.834   0.257   2.820
   47    H    ILE   7           H        ILE   7  16.115  -2.647   2.686
   48    HA   ILE   7           HA       ILE   7  18.371  -4.483   2.680
   49    HB   ILE   7           HB       ILE   7  18.947  -3.988   5.027
   50   1HG1  ILE   7          2HG1      ILE   7  18.171  -1.573   5.743
   51   2HG1  ILE   7          1HG1      ILE   7  16.828  -1.978   4.675
   52   1HG2  ILE   7          1HG2      ILE   7  20.311  -2.926   3.256
   53   2HG2  ILE   7          3HG2      ILE   7  19.231  -1.554   3.202
   54   3HG2  ILE   7          2HG2      ILE   7  20.195  -1.845   4.630
   55   1HD1  ILE   7          3HD1      ILE   7  17.639  -3.763   7.026
   56   2HD1  ILE   7          2HD1      ILE   7  16.351  -2.589   7.117
   57   3HD1  ILE   7          1HD1      ILE   7  16.226  -3.962   6.075
   58    HA   PRO   8           HA       PRO   8  14.598  -6.152   4.710
   59   1HB   PRO   8          2HB       PRO   8  14.825  -8.739   3.968
   60   2HB   PRO   8          1HB       PRO   8  15.027  -7.524   2.740
   61   1HG   PRO   8          2HG       PRO   8  17.233  -9.051   4.043
   62   2HG   PRO   8          1HG       PRO   8  17.041  -8.512   2.373
   63   1HD   PRO   8          2HD       PRO   8  18.276  -7.059   4.624
   64   2HD   PRO   8          1HD       PRO   8  18.317  -6.588   2.912
   65    H    LYS   9           H        LYS   9  15.232  -8.761   5.627
   66    HA   LYS   9           HA       LYS   9  15.343  -8.796   8.282
   67   1HB   LYS   9          2HB       LYS   9  15.233 -10.607   6.463
   68   2HB   LYS   9          1HB       LYS   9  16.966 -10.551   6.494
   69   1HG   LYS   9          2HG       LYS   9  16.372 -12.413   7.928
   70   2HG   LYS   9          1HG       LYS   9  16.954 -11.128   8.968
   71   1HD   LYS   9          2HD       LYS   9  14.695 -10.467   9.584
   72   2HD   LYS   9          1HD       LYS   9  13.985 -11.571   8.422
   73   1HE   LYS   9          2HE       LYS   9  15.665 -12.371  10.842
   74   2HE   LYS   9          1HE       LYS   9  13.919 -12.531  10.704
   75   1HZ   LYS   9          2HZ       LYS   9  15.061 -13.734   8.456
   76   2HZ   LYS   9          1HZ       LYS   9  15.891 -14.315   9.823
   77   3HZ   LYS   9          3HZ       LYS   9  14.203 -14.473   9.713
   78    H    SER  10           H        SER  10  17.933  -8.306   6.149
   79    HA   SER  10           HA       SER  10  20.244  -8.712   7.688
   80   1HB   SER  10          2HB       SER  10  20.194  -7.933   5.217
   81   2HB   SER  10          1HB       SER  10  19.886  -6.294   5.832
   82    HG   SER  10           HG       SER  10  21.963  -6.212   6.214
   83    H    ARG  11           H        ARG  11  18.351  -5.728   7.670
   84    HA   ARG  11           HA       ARG  11  19.644  -5.159  10.322
   85   1HB   ARG  11          2HB       ARG  11  18.988  -3.033   8.160
   86   2HB   ARG  11          1HB       ARG  11  19.724  -2.802   9.701
   87   1HG   ARG  11          2HG       ARG  11  21.712  -4.109   9.072
   88   2HG   ARG  11          1HG       ARG  11  20.950  -4.631   7.599
   89   1HD   ARG  11          2HD       ARG  11  22.520  -2.848   7.038
   90   2HD   ARG  11          1HD       ARG  11  20.884  -2.264   6.783
   91    HE   ARG  11           HE       ARG  11  21.154  -1.263   9.189
   92   1HH1  ARG  11          2HH1      ARG  11  23.765  -1.787   9.940
   93   2HH1  ARG  11          1HH1      ARG  11  24.737  -0.502   9.314
   94   1HH2  ARG  11          1HH2      ARG  11  22.231   0.405   7.024
   95   2HH2  ARG  11          2HH2      ARG  11  23.824   0.805   7.577
   96    H    CYS  12           H        CYS  12  17.380  -6.627   9.592
   97    HA   CYS  12           HA       CYS  12  15.315  -5.113  11.034
   98   1HB   CYS  12          2HB       CYS  12  15.153  -6.120   8.318
   99   2HB   CYS  12          1HB       CYS  12  13.963  -6.696   9.416
  100    H    THR  13           H        THR  13  14.835  -6.267  12.698
  101    HA   THR  13           HA       THR  13  14.353  -9.169  12.501
  102    HB   THR  13           HB       THR  13  15.909  -9.523  14.476
  103    HG1  THR  13           HG1      THR  13  16.643  -7.785  15.545
  104   1HG2  THR  13          1HG2      THR  13  16.969  -9.091  12.110
  105   2HG2  THR  13          3HG2      THR  13  17.164  -7.427  12.576
  106   3HG2  THR  13          2HG2      THR  13  18.064  -8.659  13.420
  107    H    ALA  14           H        ALA  14  12.656  -9.584  14.159
  108    HA   ALA  14           HA       ALA  14  10.644  -7.722  14.306
  109   1HB   ALA  14          3HB       ALA  14  11.442  -9.621  16.594
  110   2HB   ALA  14          2HB       ALA  14   9.864  -8.878  16.414
  111   3HB   ALA  14          1HB       ALA  14  10.414 -10.057  15.236
  112    H    PHE  15           H        PHE  15  13.490  -7.699  16.178
  113    HA   PHE  15           HA       PHE  15  12.582  -5.698  18.086
  114   1HB   PHE  15          2HB       PHE  15  14.586  -7.192  18.500
  115   2HB   PHE  15          1HB       PHE  15  15.437  -6.415  17.177
  116    HD1  PHE  15           HD2      PHE  15  14.117  -5.948  20.600
  117    HD2  PHE  15           HD1      PHE  15  16.370  -4.176  17.445
  118    HE1  PHE  15           HE2      PHE  15  14.917  -4.221  22.138
  119    HE2  PHE  15           HE1      PHE  15  17.165  -2.441  18.995
  120    HZ   PHE  15           HZ       PHE  15  16.441  -2.462  21.343
  121    H    GLN  16           H        GLN  16  14.623  -5.493  15.169
  122    HA   GLN  16           HA       GLN  16  14.536  -2.554  15.230
  123   1HB   GLN  16          2HB       GLN  16  15.380  -4.367  12.930
  124   2HB   GLN  16          1HB       GLN  16  15.787  -2.678  13.145
  125   1HG   GLN  16          2HG       GLN  16  17.006  -3.208  15.217
  126   2HG   GLN  16          1HG       GLN  16  16.585  -4.905  15.063
  127   1HE2  GLN  16          2HE2      GLN  16  19.810  -3.737  13.094
  128   2HE2  GLN  16          1HE2      GLN  16  19.133  -2.796  14.339
  129    H    CYS  17           H        CYS  17  12.719  -5.028  13.736
  130    HA   CYS  17           HA       CYS  17  11.345  -3.373  11.786
  131   1HB   CYS  17          2HB       CYS  17  10.671  -6.143  12.882
  132   2HB   CYS  17          1HB       CYS  17   9.991  -5.416  11.451
  133    H    LYS  18           H        LYS  18  10.704  -4.464  15.115
  134    HA   LYS  18           HA       LYS  18   8.045  -3.151  15.015
  135   1HB   LYS  18          2HB       LYS  18   8.529  -5.340  16.249
  136   2HB   LYS  18          1HB       LYS  18   9.422  -4.418  17.432
  137   1HG   LYS  18          2HG       LYS  18   7.275  -2.984  17.754
  138   2HG   LYS  18          1HG       LYS  18   6.453  -4.143  16.730
  139   1HD   LYS  18          2HD       LYS  18   7.832  -4.774  19.372
  140   2HD   LYS  18          1HD       LYS  18   6.103  -4.685  19.109
  141   1HE   LYS  18          2HE       LYS  18   6.255  -6.594  17.499
  142   2HE   LYS  18          1HE       LYS  18   7.988  -6.694  17.784
  143   1HZ   LYS  18          3HZ       LYS  18   6.689  -6.696  20.264
  144   2HZ   LYS  18          2HZ       LYS  18   5.945  -7.843  19.264
  145   3HZ   LYS  18          1HZ       LYS  18   7.615  -7.923  19.546
  146    H    HIS  19           H        HIS  19  11.286  -2.586  16.383
  147    HA   HIS  19           HA       HIS  19  10.325  -0.232  17.793
  148   1HB   HIS  19          2HB       HIS  19  13.098  -1.458  17.545
  149   2HB   HIS  19          1HB       HIS  19  12.549  -0.223  18.666
  150    HD1  HIS  19           HD1      HIS  19   9.987  -2.372  18.399
  151    HD2  HIS  19           HD2      HIS  19  13.556  -2.462  20.365
  152    HE1  HIS  19           HE1      HIS  19   9.773  -4.018  20.119
  153    H    SER  20           H        SER  20  12.555  -0.778  14.900
  154    HA   SER  20           HA       SER  20  12.776   2.145  14.823
  155   1HB   SER  20          2HB       SER  20  14.015  -0.135  13.214
  156   2HB   SER  20          1HB       SER  20  14.247   1.570  12.847
  157    HG   SER  20           HG       SER  20  15.556   1.606  14.520
  158    H    MET  21           H        MET  21  10.700   2.770  14.417
  159    HA   MET  21           HA       MET  21   8.857   1.786  12.591
  160   1HB   MET  21          2HB       MET  21   7.948   4.143  12.611
  161   2HB   MET  21          1HB       MET  21   8.434   3.638  14.203
  162   1HG   MET  21          2HG       MET  21  10.779   4.757  13.494
  163   2HG   MET  21          1HG       MET  21   9.768   5.594  12.348
  164   1HE   MET  21          3HE       MET  21  11.080   5.209  15.807
  165   2HE   MET  21          2HE       MET  21   9.939   6.042  16.833
  166   3HE   MET  21          1HE       MET  21   9.470   4.515  16.118
  167    H    LYS  22           H        LYS  22  11.629   3.794  11.792
  168    HA   LYS  22           HA       LYS  22  10.787   4.121   9.031
  169   1HB   LYS  22          2HB       LYS  22  13.486   4.475  10.449
  170   2HB   LYS  22          1HB       LYS  22  13.330   4.705   8.729
  171   1HG   LYS  22          2HG       LYS  22  11.580   6.215  10.711
  172   2HG   LYS  22          1HG       LYS  22  13.118   6.834  10.149
  173   1HD   LYS  22          2HD       LYS  22  12.354   6.728   7.802
  174   2HD   LYS  22          1HD       LYS  22  10.808   6.059   8.283
  175   1HE   LYS  22          2HE       LYS  22  10.340   8.109   9.615
  176   2HE   LYS  22          1HE       LYS  22  11.876   8.804   9.087
  177   1HZ   LYS  22          3HZ       LYS  22  10.472   7.880   6.830
  178   2HZ   LYS  22          2HZ       LYS  22   9.425   8.841   7.755
  179   3HZ   LYS  22          1HZ       LYS  22  10.912   9.469   7.234
  180    H    TYR  23           H        TYR  23  12.416   1.686  10.784
  181    HA   TYR  23           HA       TYR  23  13.610   0.373   8.541
  182   1HB   TYR  23          2HB       TYR  23  13.035  -0.378  11.431
  183   2HB   TYR  23          1HB       TYR  23  13.499  -1.605  10.356
  184    HD1  TYR  23           HD1      TYR  23  14.658   2.002  10.359
  185    HD2  TYR  23           HD2      TYR  23  15.682  -2.071  11.031
  186    HE1  TYR  23           HE1      TYR  23  17.002   2.635  10.630
  187    HE2  TYR  23           HE2      TYR  23  18.018  -1.439  11.303
  188    HH   TYR  23           HH       TYR  23  19.524   0.297  10.812
  189    H    ARG  24           H        ARG  24  10.607   0.062  10.340
  190    HA   ARG  24           HA       ARG  24   9.707  -2.069   8.541
  191   1HB   ARG  24          2HB       ARG  24   9.092  -2.102  10.921
  192   2HB   ARG  24          1HB       ARG  24   8.458  -0.482  10.914
  193   1HG   ARG  24          2HG       ARG  24   6.990  -2.894   9.660
  194   2HG   ARG  24          1HG       ARG  24   6.822  -2.309  11.262
  195   1HD   ARG  24          2HD       ARG  24   6.440  -0.098   9.352
  196   2HD   ARG  24          1HD       ARG  24   5.297  -1.404   9.119
  197    HE   ARG  24           HE       ARG  24   5.378  -1.081  11.856
  198   1HH1  ARG  24          2HH1      ARG  24   5.862   1.544  11.825
  199   2HH1  ARG  24          1HH1      ARG  24   4.374   2.381  11.508
  200   1HH2  ARG  24          1HH2      ARG  24   3.048  -0.645  10.158
  201   2HH2  ARG  24          2HH2      ARG  24   2.587   0.999  10.447
  202    H    LEU  25           H        LEU  25   8.881   1.431   8.995
  203    HA   LEU  25           HA       LEU  25   6.916   1.445   6.923
  204   1HB   LEU  25          2HB       LEU  25   8.379   3.558   8.494
  205   2HB   LEU  25          1HB       LEU  25   7.146   3.858   7.355
  206    HG   LEU  25           HG       LEU  25   6.648   1.981   9.715
  207   1HD1  LEU  25          3HD1      LEU  25   7.467   4.166  10.569
  208   2HD1  LEU  25          2HD1      LEU  25   6.227   5.012   9.667
  209   3HD1  LEU  25          1HD1      LEU  25   5.782   3.938  10.990
  210   1HD2  LEU  25          2HD2      LEU  25   4.774   3.779   8.071
  211   2HD2  LEU  25          1HD2      LEU  25   4.927   2.048   7.848
  212   3HD2  LEU  25          3HD2      LEU  25   4.261   2.682   9.334
  213    H    SER  26           H        SER  26  10.271   1.477   6.697
  214    HA   SER  26           HA       SER  26  10.027   2.423   3.910
  215   1HB   SER  26          2HB       SER  26  11.789   3.844   5.934
  216   2HB   SER  26          1HB       SER  26  11.949   4.049   4.187
  217    HG   SER  26           HG       SER  26   9.349   4.222   4.760
  218    H    PHE  27           H        PHE  27  12.445   1.260   6.264
  219    HA   PHE  27           HA       PHE  27  14.333   0.571   4.209
  220   1HB   PHE  27          2HB       PHE  27  14.110  -0.688   6.953
  221   2HB   PHE  27          1HB       PHE  27  15.392  -0.922   5.824
  222    HD1  PHE  27           HD1      PHE  27  14.036   2.560   6.123
  223    HD2  PHE  27           HD2      PHE  27  17.045  -0.160   7.457
  224    HE1  PHE  27           HE1      PHE  27  15.322   4.421   7.007
  225    HE2  PHE  27           HE2      PHE  27  18.333   1.733   8.335
  226    HZ   PHE  27           HZ       PHE  27  17.481   4.021   8.114
  227    H    CYS  28           H        CYS  28  12.113  -1.403   6.035
  228    HA   CYS  28           HA       CYS  28  12.434  -3.700   4.275
  229   1HB   CYS  28          2HB       CYS  28  11.370  -3.368   7.013
  230   2HB   CYS  28          1HB       CYS  28  11.470  -4.819   6.333
  231    H    ARG  29           H        ARG  29  10.581  -1.506   3.600
  232    HA   ARG  29           HA       ARG  29   7.889  -2.205   4.201
  233   1HB   ARG  29          2HB       ARG  29   8.229  -1.361   1.367
  234   2HB   ARG  29          1HB       ARG  29   7.326  -0.640   2.667
  235   1HG   ARG  29          2HG       ARG  29   9.419   0.343   3.589
  236   2HG   ARG  29          1HG       ARG  29  10.271  -0.217   2.147
  237   1HD   ARG  29          2HD       ARG  29   9.566   2.120   1.814
  238   2HD   ARG  29          1HD       ARG  29   8.636   1.082   0.741
  239    HE   ARG  29           HE       ARG  29   7.425   1.537   3.383
  240   1HH1  ARG  29          1HH2      ARG  29   6.654   1.249   0.288
  241   2HH1  ARG  29          2HH2      ARG  29   5.580   2.601   0.146
  242   1HH2  ARG  29          2HH1      ARG  29   6.656   3.758   3.319
  243   2HH2  ARG  29          1HH1      ARG  29   5.573   4.152   2.018
  244    H    LYS  30           H        LYS  30  10.042  -4.286   2.905
  245    HA   LYS  30           HA       LYS  30   8.446  -5.587   0.891
  246   1HB   LYS  30          2HB       LYS  30  10.295  -7.222   0.930
  247   2HB   LYS  30          1HB       LYS  30  10.893  -5.607   0.727
  248   1HG   LYS  30          2HG       LYS  30  12.368  -6.414   2.366
  249   2HG   LYS  30          1HG       LYS  30  11.189  -5.687   3.412
  250   1HD   LYS  30          2HD       LYS  30  10.126  -8.102   3.418
  251   2HD   LYS  30          1HD       LYS  30  11.559  -8.575   2.569
  252   1HE   LYS  30          2HE       LYS  30  12.986  -7.811   4.367
  253   2HE   LYS  30          1HE       LYS  30  11.617  -7.214   5.279
  254   1HZ   LYS  30          2HZ       LYS  30  11.099  -9.857   4.501
  255   2HZ   LYS  30          1HZ       LYS  30  12.652  -9.824   5.198
  256   3HZ   LYS  30          3HZ       LYS  30  11.311  -9.258   6.074
  257    H    THR  31           H        THR  31   9.043  -5.903   4.389
  258    HA   THR  31           HA       THR  31   6.678  -7.671   4.540
  259    HB   THR  31           HB       THR  31   9.270  -8.963   5.243
  260    HG1  THR  31           HG1      THR  31   7.737  -9.046   2.944
  261   1HG2  THR  31          2HG2      THR  31   7.304  -9.757   6.568
  262   2HG2  THR  31          1HG2      THR  31   6.477 -10.121   5.067
  263   3HG2  THR  31          3HG2      THR  31   7.933 -11.008   5.503
  264    H    CYS  32           H        CYS  32   9.696  -7.145   6.108
  265    HA   CYS  32           HA       CYS  32   8.783  -7.301   8.842
  266   1HB   CYS  32          2HB       CYS  32  11.098  -6.521   7.418
  267   2HB   CYS  32          1HB       CYS  32  10.798  -5.333   8.631
  268    H    GLY  33           H        GLY  33   8.865  -5.024   6.462
  269   1HA   GLY  33          2HA       GLY  33   8.018  -2.846   8.115
  270   2HA   GLY  33          1HA       GLY  33   8.462  -2.806   6.423
  271    H    THR  34           H        THR  34   6.901  -4.269   5.146
  272    HA   THR  34           HA       THR  34   4.149  -3.775   6.121
  273    HB   THR  34           HB       THR  34   4.122  -2.691   3.520
  274    HG1  THR  34           HG1      THR  34   6.041  -2.600   3.099
  275   1HG2  THR  34          1HG2      THR  34   3.319  -1.495   5.820
  276   2HG2  THR  34          3HG2      THR  34   5.021  -1.126   6.026
  277   3HG2  THR  34          2HG2      THR  34   4.131  -0.429   4.682
  278    H    CYS  35           H        CYS  35   5.135  -6.463   5.437
  279    HA   CYS  35           HA       CYS  35   2.797  -7.317   4.020
  280   1HB   CYS  35          2HB       CYS  35   5.353  -6.924   2.597
  281   2HB   CYS  35          1HB       CYS  35   4.725  -8.516   2.411
   
  No H/Q in entry =         281
  Start of MODEL    2
    1   1H    ARG   1          3H        ARG   1   2.098   1.698  -4.590
    2   2H    ARG   1          2H        ARG   1   0.411   1.812  -4.712
    3   3H    ARG   1          1H        ARG   1   1.180   2.165  -3.238
    4    HA   ARG   1           HA       ARG   1   1.040   0.065  -2.594
    5   1HB   ARG   1          2HB       ARG   1  -0.077  -0.479  -5.379
    6   2HB   ARG   1          1HB       ARG   1  -0.237  -1.533  -3.990
    7   1HG   ARG   1          2HG       ARG   1  -1.544   0.208  -2.781
    8   2HG   ARG   1          1HG       ARG   1  -1.365   1.306  -4.138
    9   1HD   ARG   1          2HD       ARG   1  -2.538  -0.301  -5.612
   10   2HD   ARG   1          1HD       ARG   1  -2.749  -1.401  -4.249
   11    HE   ARG   1           HE       ARG   1  -3.852   0.833  -3.224
   12   1HH1  ARG   1          1HH1      ARG   1  -4.553   2.415  -5.194
   13   2HH1  ARG   1          2HH1      ARG   1  -5.910   1.731  -6.033
   14   1HH2  ARG   1          1HH2      ARG   1  -5.252  -1.449  -4.699
   15   2HH2  ARG   1          2HH2      ARG   1  -6.319  -0.567  -5.744
   16    H    SER   2           H        SER   2   3.465   0.428  -2.931
   17    HA   SER   2           HA       SER   2   4.550  -1.978  -4.247
   18   1HB   SER   2          2HB       SER   2   5.461   0.849  -5.037
   19   2HB   SER   2          1HB       SER   2   6.257  -0.640  -5.555
   20    HG   SER   2           HG       SER   2   3.611  -0.889  -6.009
   21    H    CYS   3           H        CYS   3   4.997  -2.565  -2.100
   22    HA   CYS   3           HA       CYS   3   6.976  -0.941  -0.605
   23   1HB   CYS   3          2HB       CYS   3   5.147  -3.197   0.306
   24   2HB   CYS   3          1HB       CYS   3   6.166  -2.251   1.342
   25    H    ILE   4           H        ILE   4   9.009  -1.604  -0.703
   26    HA   ILE   4           HA       ILE   4   9.817  -4.488  -0.823
   27    HB   ILE   4           HB       ILE   4  11.539  -3.905  -2.581
   28   1HG1  ILE   4          2HG1      ILE   4  10.331  -1.097  -2.722
   29   2HG1  ILE   4          1HG1      ILE   4  11.777  -1.439  -1.792
   30   1HG2  ILE   4          2HG2      ILE   4   9.329  -4.595  -3.440
   31   2HG2  ILE   4          1HG2      ILE   4   8.786  -2.931  -3.464
   32   3HG2  ILE   4          3HG2      ILE   4  10.066  -3.453  -4.540
   33   1HD1  ILE   4          1HD1      ILE   4  12.912  -2.265  -3.849
   34   2HD1  ILE   4          3HD1      ILE   4  11.485  -1.893  -4.805
   35   3HD1  ILE   4          2HD1      ILE   4  12.379  -0.602  -4.027
   36    H    ASP   5           H        ASP   5  12.503  -4.038  -0.878
   37    HA   ASP   5           HA       ASP   5  12.867  -2.454   1.577
   38   1HB   ASP   5          2HB       ASP   5  13.961  -4.191   2.605
   39   2HB   ASP   5          1HB       ASP   5  12.462  -4.737   1.962
   40    H    THR   6           H        THR   6  14.824  -1.513   1.945
   41    HA   THR   6           HA       THR   6  16.734  -1.512  -0.374
   42    HB   THR   6           HB       THR   6  16.996   0.120   2.251
   43    HG1  THR   6           HG1      THR   6  15.125   0.167   0.246
   44   1HG2  THR   6          1HG2      THR   6  18.899   0.164   0.460
   45   2HG2  THR   6          3HG2      THR   6  17.711   0.771  -0.683
   46   3HG2  THR   6          2HG2      THR   6  18.123   1.716   0.739
   47    H    ILE   7           H        ILE   7  16.168  -2.709   2.750
   48    HA   ILE   7           HA       ILE   7  18.410  -4.545   2.713
   49    HB   ILE   7           HB       ILE   7  18.948  -4.096   5.092
   50   1HG1  ILE   7          2HG1      ILE   7  18.400  -1.694   5.828
   51   2HG1  ILE   7          1HG1      ILE   7  17.120  -1.838   4.634
   52   1HG2  ILE   7          1HG2      ILE   7  20.398  -3.181   3.316
   53   2HG2  ILE   7          3HG2      ILE   7  19.420  -1.733   3.229
   54   3HG2  ILE   7          2HG2      ILE   7  20.348  -2.073   4.672
   55   1HD1  ILE   7          2HD1      ILE   7  17.412  -3.844   6.932
   56   2HD1  ILE   7          1HD1      ILE   7  16.410  -2.412   7.063
   57   3HD1  ILE   7          3HD1      ILE   7  16.010  -3.674   5.962
   58    HA   PRO   8           HA       PRO   8  14.652  -6.259   4.705
   59   1HB   PRO   8          2HB       PRO   8  15.006  -8.834   4.022
   60   2HB   PRO   8          1HB       PRO   8  15.274  -7.641   2.780
   61   1HG   PRO   8          2HG       PRO   8  17.436  -9.031   4.335
   62   2HG   PRO   8          1HG       PRO   8  17.333  -8.633   2.622
   63   1HD   PRO   8          2HD       PRO   8  18.361  -6.977   4.792
   64   2HD   PRO   8          1HD       PRO   8  18.428  -6.620   3.050
   65    H    LYS   9           H        LYS   9  15.391  -8.836   5.637
   66    HA   LYS   9           HA       LYS   9  15.267  -8.910   8.287
   67   1HB   LYS   9          2HB       LYS   9  15.398 -10.712   6.415
   68   2HB   LYS   9          1HB       LYS   9  17.112 -10.590   6.619
   69   1HG   LYS   9          2HG       LYS   9  16.626 -12.469   7.986
   70   2HG   LYS   9          1HG       LYS   9  16.772 -11.161   9.135
   71   1HD   LYS   9          2HD       LYS   9  14.829 -12.455   9.755
   72   2HD   LYS   9          1HD       LYS   9  14.266 -10.919   9.142
   73   1HE   LYS   9          2HE       LYS   9  12.903 -12.749   8.187
   74   2HE   LYS   9          1HE       LYS   9  13.820 -12.012   6.893
   75   1HZ   LYS   9          2HZ       LYS   9  15.353 -14.072   8.069
   76   2HZ   LYS   9          1HZ       LYS   9  13.815 -14.673   7.685
   77   3HZ   LYS   9          3HZ       LYS   9  14.771 -13.966   6.478
   78    H    SER  10           H        SER  10  18.058  -8.460   6.273
   79    HA   SER  10           HA       SER  10  20.226  -8.701   7.976
   80   1HB   SER  10          2HB       SER  10  19.985  -6.420   5.966
   81   2HB   SER  10          1HB       SER  10  21.401  -7.421   6.329
   82    HG   SER  10           HG       SER  10  20.630  -8.878   4.982
   83    H    ARG  11           H        ARG  11  18.201  -5.811   7.679
   84    HA   ARG  11           HA       ARG  11  19.475  -4.998  10.273
   85   1HB   ARG  11          2HB       ARG  11  18.426  -2.939   8.264
   86   2HB   ARG  11          1HB       ARG  11  19.466  -2.783   9.622
   87   1HG   ARG  11          2HG       ARG  11  21.236  -4.191   8.518
   88   2HG   ARG  11          1HG       ARG  11  20.265  -4.217   7.068
   89   1HD   ARG  11          2HD       ARG  11  21.906  -2.409   6.831
   90   2HD   ARG  11          1HD       ARG  11  20.329  -1.659   7.044
   91    HE   ARG  11           HE       ARG  11  22.027  -2.097   9.458
   92   1HH1  ARG  11          2HH1      ARG  11  19.812  -0.531   9.933
   93   2HH1  ARG  11          1HH1      ARG  11  20.281   1.106   9.748
   94   1HH2  ARG  11          1HH2      ARG  11  23.129   0.038   7.886
   95   2HH2  ARG  11          2HH2      ARG  11  22.354   1.477   8.478
   96    H    CYS  12           H        CYS  12  17.104  -6.603   9.362
   97    HA   CYS  12           HA       CYS  12  15.074  -5.180  10.963
   98   1HB   CYS  12          2HB       CYS  12  14.802  -6.107   8.245
   99   2HB   CYS  12          1HB       CYS  12  13.678  -6.767   9.366
  100    H    THR  13           H        THR  13  14.838  -6.263  12.655
  101    HA   THR  13           HA       THR  13  14.136  -9.125  12.560
  102    HB   THR  13           HB       THR  13  15.783  -9.409  14.541
  103    HG1  THR  13           HG1      THR  13  17.129  -7.211  14.253
  104   1HG2  THR  13          3HG2      THR  13  16.531  -9.507  11.991
  105   2HG2  THR  13          2HG2      THR  13  17.030  -7.856  12.141
  106   3HG2  THR  13          1HG2      THR  13  17.857  -9.082  13.066
  107    H    ALA  14           H        ALA  14  12.869  -9.430  14.729
  108    HA   ALA  14           HA       ALA  14  10.848  -7.506  14.872
  109   1HB   ALA  14          3HB       ALA  14  10.679  -9.762  16.003
  110   2HB   ALA  14          2HB       ALA  14  11.867  -9.248  17.194
  111   3HB   ALA  14          1HB       ALA  14  10.292  -8.472  17.132
  112    H    PHE  15           H        PHE  15  13.967  -7.374  16.197
  113    HA   PHE  15           HA       PHE  15  13.349  -5.268  18.104
  114   1HB   PHE  15          2HB       PHE  15  15.450  -6.728  18.281
  115   2HB   PHE  15          1HB       PHE  15  16.075  -5.965  16.829
  116    HD1  PHE  15           HD1      PHE  15  16.519  -3.452  16.859
  117    HD2  PHE  15           HD2      PHE  15  15.636  -5.619  20.421
  118    HE1  PHE  15           HE1      PHE  15  17.419  -1.613  18.195
  119    HE2  PHE  15           HE2      PHE  15  16.539  -3.774  21.752
  120    HZ   PHE  15           HZ       PHE  15  17.432  -1.767  20.651
  121    H    GLN  16           H        GLN  16  14.836  -5.201  14.822
  122    HA   GLN  16           HA       GLN  16  14.575  -2.215  14.968
  123   1HB   GLN  16          2HB       GLN  16  15.366  -3.785  12.451
  124   2HB   GLN  16          1HB       GLN  16  15.570  -2.085  12.777
  125   1HG   GLN  16          2HG       GLN  16  16.994  -2.857  14.843
  126   2HG   GLN  16          1HG       GLN  16  17.131  -4.367  13.984
  127   1HE2  GLN  16          2HE2      GLN  16  19.669  -3.101  11.864
  128   2HE2  GLN  16          1HE2      GLN  16  18.806  -4.461  12.413
  129    H    CYS  17           H        CYS  17  12.792  -4.832  13.850
  130    HA   CYS  17           HA       CYS  17  11.051  -3.504  11.910
  131   1HB   CYS  17          2HB       CYS  17  11.825  -5.944  12.108
  132   2HB   CYS  17          1HB       CYS  17  10.711  -6.123  13.433
  133    H    LYS  18           H        LYS  18  10.882  -4.526  15.379
  134    HA   LYS  18           HA       LYS  18   8.264  -3.178  15.605
  135   1HB   LYS  18          2HB       LYS  18   8.944  -5.391  16.789
  136   2HB   LYS  18          1HB       LYS  18   9.861  -4.400  17.885
  137   1HG   LYS  18          2HG       LYS  18   7.864  -3.182  18.608
  138   2HG   LYS  18          1HG       LYS  18   6.890  -3.925  17.370
  139   1HD   LYS  18          2HD       LYS  18   8.218  -5.387  19.704
  140   2HD   LYS  18          1HD       LYS  18   6.518  -4.987  19.610
  141   1HE   LYS  18          2HE       LYS  18   8.034  -6.948  17.805
  142   2HE   LYS  18          1HE       LYS  18   6.777  -7.324  18.963
  143   1HZ   LYS  18          2HZ       LYS  18   5.728  -5.407  17.248
  144   2HZ   LYS  18          1HZ       LYS  18   6.473  -6.580  16.271
  145   3HZ   LYS  18          3HZ       LYS  18   5.286  -7.034  17.399
  146    H    HIS  19           H        HIS  19  11.633  -2.594  16.814
  147    HA   HIS  19           HA       HIS  19  10.687  -0.277  18.249
  148   1HB   HIS  19          2HB       HIS  19  13.504  -1.288  17.788
  149   2HB   HIS  19          1HB       HIS  19  12.926  -0.163  18.998
  150    HD1  HIS  19           HD1      HIS  19  10.455  -2.351  19.040
  151    HD2  HIS  19           HD2      HIS  19  14.348  -2.647  20.197
  152    HE1  HIS  19           HE1      HIS  19  10.554  -4.150  20.562
  153    H    SER  20           H        SER  20  12.106  -0.644  14.887
  154    HA   SER  20           HA       SER  20  12.390   2.298  14.954
  155   1HB   SER  20          2HB       SER  20  13.661   0.215  13.136
  156   2HB   SER  20          1HB       SER  20  14.004   1.939  13.258
  157    HG   SER  20           HG       SER  20  15.330   1.373  14.782
  158    H    MET  21           H        MET  21  10.360   3.062  14.239
  159    HA   MET  21           HA       MET  21   8.661   1.728  12.412
  160   1HB   MET  21          2HB       MET  21   9.097   4.749  12.913
  161   2HB   MET  21          1HB       MET  21   7.676   4.093  12.144
  162   1HG   MET  21          2HG       MET  21   6.845   3.146  14.043
  163   2HG   MET  21          1HG       MET  21   8.379   2.942  14.821
  164   1HE   MET  21          3HE       MET  21   9.563   4.373  16.126
  165   2HE   MET  21          2HE       MET  21   9.772   5.796  15.078
  166   3HE   MET  21          1HE       MET  21   9.118   5.952  16.706
  167    H    LYS  22           H        LYS  22  11.243   3.986  11.617
  168    HA   LYS  22           HA       LYS  22  10.614   3.964   8.820
  169   1HB   LYS  22          2HB       LYS  22  13.046   4.847   8.631
  170   2HB   LYS  22          1HB       LYS  22  12.091   5.729   9.807
  171   1HG   LYS  22          2HG       LYS  22  13.105   3.887  11.526
  172   2HG   LYS  22          1HG       LYS  22  14.276   3.664  10.244
  173   1HD   LYS  22          2HD       LYS  22  15.023   5.961  10.387
  174   2HD   LYS  22          1HD       LYS  22  13.716   6.385  11.478
  175   1HE   LYS  22          2HE       LYS  22  14.611   4.775  13.181
  176   2HE   LYS  22          1HE       LYS  22  15.944   4.390  12.104
  177   1HZ   LYS  22          1HZ       LYS  22  15.797   7.177  12.374
  178   2HZ   LYS  22          3HZ       LYS  22  15.746   6.490  13.917
  179   3HZ   LYS  22          2HZ       LYS  22  17.028   6.123  12.870
  180    H    TYR  23           H        TYR  23  11.898   1.514  10.743
  181    HA   TYR  23           HA       TYR  23  13.352   0.250   8.538
  182   1HB   TYR  23          2HB       TYR  23  12.675  -0.414  11.399
  183   2HB   TYR  23          1HB       TYR  23  13.101  -1.730  10.402
  184    HD1  TYR  23           HD2      TYR  23  14.220   1.750  11.206
  185    HD2  TYR  23           HD1      TYR  23  15.393  -2.175  10.151
  186    HE1  TYR  23           HE2      TYR  23  16.591   2.377  11.525
  187    HE2  TYR  23           HE1      TYR  23  17.730  -1.562  10.461
  188    HH   TYR  23           HH       TYR  23  18.911   0.202  11.954
  189    H    ARG  24           H        ARG  24  10.308  -0.372  10.372
  190    HA   ARG  24           HA       ARG  24   9.570  -2.380   8.462
  191   1HB   ARG  24          2HB       ARG  24   8.175  -0.908  10.715
  192   2HB   ARG  24          1HB       ARG  24   7.091  -1.419   9.475
  193   1HG   ARG  24          2HG       ARG  24   8.589  -3.765  10.042
  194   2HG   ARG  24          1HG       ARG  24   8.413  -2.981  11.575
  195   1HD   ARG  24          2HD       ARG  24   6.047  -3.618   9.747
  196   2HD   ARG  24          1HD       ARG  24   6.452  -4.435  11.228
  197    HE   ARG  24           HE       ARG  24   5.533  -1.599  11.006
  198   1HH1  ARG  24          1HH2      ARG  24   7.264  -2.484  13.340
  199   2HH1  ARG  24          2HH2      ARG  24   6.081  -2.811  14.564
  200   1HH2  ARG  24          2HH1      ARG  24   3.509  -2.835  12.138
  201   2HH2  ARG  24          1HH1      ARG  24   3.771  -3.012  13.839
  202    H    LEU  25           H        LEU  25   8.738   1.085   8.862
  203    HA   LEU  25           HA       LEU  25   7.037   1.216   6.594
  204   1HB   LEU  25          2HB       LEU  25   8.242   3.289   8.398
  205   2HB   LEU  25          1HB       LEU  25   7.004   3.468   7.225
  206    HG   LEU  25           HG       LEU  25   6.816   1.505   9.591
  207   1HD1  LEU  25          3HD1      LEU  25   6.951   3.823  10.364
  208   2HD1  LEU  25          2HD1      LEU  25   5.573   4.272   9.384
  209   3HD1  LEU  25          1HD1      LEU  25   5.375   3.138  10.719
  210   1HD2  LEU  25          1HD2      LEU  25   4.616   2.528   7.732
  211   2HD2  LEU  25          3HD2      LEU  25   5.296   0.918   7.697
  212   3HD2  LEU  25          2HD2      LEU  25   4.391   1.435   9.083
  213    H    SER  26           H        SER  26  10.277   1.184   6.535
  214    HA   SER  26           HA       SER  26  10.183   2.532   3.883
  215   1HB   SER  26          2HB       SER  26  12.075   3.596   6.061
  216   2HB   SER  26          1HB       SER  26  12.136   4.028   4.358
  217    HG   SER  26           HG       SER  26   9.593   4.198   5.061
  218    H    PHE  27           H        PHE  27  12.496   1.042   6.157
  219    HA   PHE  27           HA       PHE  27  14.170   0.271   3.879
  220   1HB   PHE  27          2HB       PHE  27  14.282  -0.811   6.693
  221   2HB   PHE  27          1HB       PHE  27  15.467  -1.036   5.438
  222    HD1  PHE  27           HD2      PHE  27  15.546   1.787   4.248
  223    HD2  PHE  27           HD1      PHE  27  15.540   0.484   8.310
  224    HE1  PHE  27           HE2      PHE  27  16.665   3.844   4.914
  225    HE2  PHE  27           HE1      PHE  27  16.662   2.559   8.965
  226    HZ   PHE  27           HZ       PHE  27  17.229   4.246   7.281
  227    H    CYS  28           H        CYS  28  12.003  -1.553   5.976
  228    HA   CYS  28           HA       CYS  28  12.370  -3.912   4.297
  229   1HB   CYS  28          2HB       CYS  28  11.125  -3.540   6.952
  230   2HB   CYS  28          1HB       CYS  28  11.584  -5.009   6.377
  231    H    ARG  29           H        ARG  29  10.577  -1.834   3.501
  232    HA   ARG  29           HA       ARG  29   7.833  -2.550   4.024
  233   1HB   ARG  29          2HB       ARG  29   8.422  -1.614   1.264
  234   2HB   ARG  29          1HB       ARG  29   7.398  -0.875   2.468
  235   1HG   ARG  29          2HG       ARG  29   9.496  -0.026   3.640
  236   2HG   ARG  29          1HG       ARG  29  10.418  -0.536   2.229
  237   1HD   ARG  29          2HD       ARG  29   9.996   1.648   1.729
  238   2HD   ARG  29          1HD       ARG  29   8.660   0.862   0.892
  239    HE   ARG  29           HE       ARG  29   7.935   1.448   3.627
  240   1HH1  ARG  29          1HH2      ARG  29   9.234   3.574   1.602
  241   2HH1  ARG  29          2HH2      ARG  29   7.838   4.547   1.302
  242   1HH2  ARG  29          2HH1      ARG  29   5.793   2.145   2.921
  243   2HH2  ARG  29          1HH1      ARG  29   5.711   3.677   2.125
  244    H    LYS  30           H        LYS  30  10.242  -4.365   2.646
  245    HA   LYS  30           HA       LYS  30   8.687  -5.779   0.675
  246   1HB   LYS  30          2HB       LYS  30  10.525  -7.421   0.742
  247   2HB   LYS  30          1HB       LYS  30  11.148  -5.817   0.595
  248   1HG   LYS  30          2HG       LYS  30  12.570  -6.739   2.208
  249   2HG   LYS  30          1HG       LYS  30  11.413  -5.907   3.216
  250   1HD   LYS  30          2HD       LYS  30  10.464  -7.885   3.984
  251   2HD   LYS  30          1HD       LYS  30  10.805  -8.773   2.498
  252   1HE   LYS  30          2HE       LYS  30  13.175  -8.887   3.123
  253   2HE   LYS  30          1HE       LYS  30  12.877  -7.950   4.592
  254   1HZ   LYS  30          1HZ       LYS  30  11.113 -10.123   4.537
  255   2HZ   LYS  30          3HZ       LYS  30  12.665 -10.718   4.214
  256   3HZ   LYS  30          2HZ       LYS  30  12.373  -9.824   5.630
  257    H    THR  31           H        THR  31   8.879  -5.941   4.169
  258    HA   THR  31           HA       THR  31   6.611  -7.543   4.384
  259    HB   THR  31           HB       THR  31   8.929  -9.233   3.731
  260    HG1  THR  31           HG1      THR  31   7.116  -9.274   2.579
  261   1HG2  THR  31          3HG2      THR  31   6.990 -10.208   5.896
  262   2HG2  THR  31          2HG2      THR  31   8.234 -11.186   5.127
  263   3HG2  THR  31          1HG2      THR  31   8.686  -9.898   6.232
  264    H    CYS  32           H        CYS  32   9.722  -7.039   5.904
  265    HA   CYS  32           HA       CYS  32   8.768  -7.785   8.590
  266   1HB   CYS  32          2HB       CYS  32  11.166  -6.679   7.654
  267   2HB   CYS  32          1HB       CYS  32  10.485  -5.431   8.612
  268    H    GLY  33           H        GLY  33   8.954  -5.129   6.601
  269   1HA   GLY  33          2HA       GLY  33   7.526  -3.343   8.338
  270   2HA   GLY  33          1HA       GLY  33   8.386  -3.032   6.844
  271    H    THR  34           H        THR  34   7.418  -3.883   5.030
  272    HA   THR  34           HA       THR  34   5.774  -3.509   3.376
  273    HB   THR  34           HB       THR  34   5.585  -5.635   4.236
  274    HG1  THR  34           HG1      THR  34   3.957  -5.885   2.907
  275   1HG2  THR  34          3HG2      THR  34   3.285  -4.646   6.033
  276   2HG2  THR  34          2HG2      THR  34   3.585  -6.352   5.732
  277   3HG2  THR  34          1HG2      THR  34   4.748  -5.411   6.619
  278    H    CYS  35           H        CYS  35   6.057  -1.309   4.611
  279    HA   CYS  35           HA       CYS  35   5.296   0.718   5.028
  280   1HB   CYS  35          2HB       CYS  35   3.050  -0.160   3.249
  281   2HB   CYS  35          1HB       CYS  35   3.674   1.427   3.586
   
  No H/Q in entry =         281
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -0.037  -1.985  -2.022
    2   2H    ARG   1          3H        ARG   1  -0.922  -2.701  -3.287
    3   3H    ARG   1          2H        ARG   1  -1.721  -1.813  -2.082
    4    HA   ARG   1           HA       ARG   1  -1.968  -3.560  -0.829
    5   1HB   ARG   1          2HB       ARG   1  -0.475  -4.962  -3.095
    6   2HB   ARG   1          1HB       ARG   1  -1.257  -5.814  -1.777
    7   1HG   ARG   1          2HG       ARG   1  -2.918  -3.809  -3.294
    8   2HG   ARG   1          1HG       ARG   1  -2.605  -5.356  -4.053
    9   1HD   ARG   1          2HD       ARG   1  -4.730  -5.393  -2.713
   10   2HD   ARG   1          1HD       ARG   1  -3.565  -6.536  -2.068
   11    HE   ARG   1           HE       ARG   1  -3.882  -3.816  -0.864
   12   1HH1  ARG   1          1HH2      ARG   1  -1.962  -4.974   0.673
   13   2HH1  ARG   1          2HH2      ARG   1  -2.760  -6.027   1.784
   14   1HH2  ARG   1          1HH1      ARG   1  -5.695  -6.112  -0.113
   15   2HH2  ARG   1          2HH1      ARG   1  -4.938  -6.699   1.333
   16    H    SER   2           H        SER   2   1.374  -3.058  -1.744
   17    HA   SER   2           HA       SER   2   2.238  -3.363   0.963
   18   1HB   SER   2          2HB       SER   2   3.750  -5.509   0.290
   19   2HB   SER   2          1HB       SER   2   2.093  -5.718   0.868
   20    HG   SER   2           HG       SER   2   1.459  -6.180  -1.099
   21    H    CYS   3           H        CYS   3   4.587  -3.244   1.214
   22    HA   CYS   3           HA       CYS   3   5.796  -1.696  -1.025
   23   1HB   CYS   3          2HB       CYS   3   6.307  -1.697   1.934
   24   2HB   CYS   3          1HB       CYS   3   6.992  -0.542   0.809
   25    H    ILE   4           H        ILE   4   8.551  -1.689  -0.384
   26    HA   ILE   4           HA       ILE   4   9.421  -4.511  -0.295
   27    HB   ILE   4           HB       ILE   4  10.916  -4.015  -2.304
   28   1HG1  ILE   4          2HG1      ILE   4  10.165  -2.062  -3.771
   29   2HG1  ILE   4          1HG1      ILE   4   9.341  -1.400  -2.400
   30   1HG2  ILE   4          3HG2      ILE   4   8.734  -5.171  -2.596
   31   2HG2  ILE   4          2HG2      ILE   4   7.941  -3.627  -2.823
   32   3HG2  ILE   4          1HG2      ILE   4   9.122  -4.184  -3.992
   33   1HD1  ILE   4          3HD1      ILE   4  12.349  -1.918  -2.532
   34   2HD1  ILE   4          2HD1      ILE   4  11.565  -0.365  -2.719
   35   3HD1  ILE   4          1HD1      ILE   4  11.528  -1.167  -1.173
   36    H    ASP   5           H        ASP   5  12.051  -4.208  -0.699
   37    HA   ASP   5           HA       ASP   5  12.827  -2.362   1.481
   38   1HB   ASP   5          2HB       ASP   5  14.312  -3.941   2.332
   39   2HB   ASP   5          1HB       ASP   5  12.726  -4.623   2.189
   40    H    THR   6           H        THR   6  14.914  -1.789   1.663
   41    HA   THR   6           HA       THR   6  16.422  -1.522  -0.916
   42    HB   THR   6           HB       THR   6  17.029  -0.015   1.741
   43    HG1  THR   6           HG1      THR   6  15.092   0.817   1.369
   44   1HG2  THR   6          2HG2      THR   6  18.597   0.213  -0.346
   45   2HG2  THR   6          1HG2      THR   6  17.205   0.844  -1.218
   46   3HG2  THR   6          3HG2      THR   6  17.845   1.718   0.164
   47    H    ILE   7           H        ILE   7  16.338  -2.552   2.348
   48    HA   ILE   7           HA       ILE   7  18.342  -4.647   2.096
   49    HB   ILE   7           HB       ILE   7  19.506  -4.024   4.145
   50   1HG1  ILE   7          2HG1      ILE   7  19.032  -1.525   4.880
   51   2HG1  ILE   7          1HG1      ILE   7  17.470  -1.893   4.162
   52   1HG2  ILE   7          2HG2      ILE   7  20.406  -3.078   2.051
   53   2HG2  ILE   7          1HG2      ILE   7  19.393  -1.654   2.249
   54   3HG2  ILE   7          3HG2      ILE   7  20.679  -1.976   3.396
   55   1HD1  ILE   7          3HD1      ILE   7  18.733  -3.585   6.366
   56   2HD1  ILE   7          2HD1      ILE   7  17.520  -2.350   6.681
   57   3HD1  ILE   7          1HD1      ILE   7  17.117  -3.773   5.777
   58    HA   PRO   8           HA       PRO   8  14.722  -5.655   4.726
   59   1HB   PRO   8          2HB       PRO   8  14.442  -8.200   4.184
   60   2HB   PRO   8          1HB       PRO   8  14.851  -7.168   2.846
   61   1HG   PRO   8          2HG       PRO   8  16.884  -8.868   4.251
   62   2HG   PRO   8          1HG       PRO   8  16.569  -8.682   2.532
   63   1HD   PRO   8          2HD       PRO   8  18.297  -7.079   4.161
   64   2HD   PRO   8          1HD       PRO   8  17.943  -6.777   2.442
   65    H    LYS   9           H        LYS   9  15.312  -8.303   5.634
   66    HA   LYS   9           HA       LYS   9  15.421  -8.341   8.307
   67   1HB   LYS   9          2HB       LYS   9  15.010 -10.191   6.621
   68   2HB   LYS   9          1HB       LYS   9  16.724 -10.228   6.336
   69   1HG   LYS   9          2HG       LYS   9  16.593 -12.016   7.791
   70   2HG   LYS   9          1HG       LYS   9  16.961 -10.730   8.920
   71   1HD   LYS   9          2HD       LYS   9  14.635 -10.523   9.580
   72   2HD   LYS   9          1HD       LYS   9  14.125 -11.667   8.341
   73   1HE   LYS   9          2HE       LYS   9  15.702 -13.384   9.450
   74   2HE   LYS   9          1HE       LYS   9  15.895 -12.221  10.756
   75   1HZ   LYS   9          1HZ       LYS   9  13.165 -12.509  10.270
   76   2HZ   LYS   9          3HZ       LYS   9  13.837 -14.065  10.355
   77   3HZ   LYS   9          2HZ       LYS   9  14.050 -12.977  11.641
   78    H    SER  10           H        SER  10  18.015  -7.984   6.031
   79    HA   SER  10           HA       SER  10  20.278  -8.689   7.593
   80   1HB   SER  10          2HB       SER  10  21.512  -6.896   6.166
   81   2HB   SER  10          1HB       SER  10  20.553  -8.050   5.220
   82    HG   SER  10           HG       SER  10  20.086  -5.372   5.648
   83    H    ARG  11           H        ARG  11  18.423  -5.765   7.809
   84    HA   ARG  11           HA       ARG  11  19.936  -5.131  10.303
   85   1HB   ARG  11          2HB       ARG  11  19.007  -3.032   8.281
   86   2HB   ARG  11          1HB       ARG  11  20.038  -2.843   9.657
   87   1HG   ARG  11          2HG       ARG  11  21.899  -4.001   8.686
   88   2HG   ARG  11          1HG       ARG  11  20.937  -4.685   7.409
   89   1HD   ARG  11          2HD       ARG  11  22.254  -2.867   6.464
   90   2HD   ARG  11          1HD       ARG  11  20.567  -2.396   6.457
   91    HE   ARG  11           HE       ARG  11  22.252  -1.543   8.768
   92   1HH1  ARG  11          2HH1      ARG  11  19.505  -0.691   8.121
   93   2HH1  ARG  11          1HH1      ARG  11  19.678   0.895   7.455
   94   1HH2  ARG  11          1HH2      ARG  11  23.153   0.232   6.955
   95   2HH2  ARG  11          2HH2      ARG  11  21.934   1.446   6.728
   96    H    CYS  12           H        CYS  12  17.595  -6.625   9.730
   97    HA   CYS  12           HA       CYS  12  15.603  -5.028  11.167
   98   1HB   CYS  12          2HB       CYS  12  15.385  -6.191   8.517
   99   2HB   CYS  12          1HB       CYS  12  14.170  -6.601   9.648
  100    H    THR  13           H        THR  13  15.019  -6.132  12.827
  101    HA   THR  13           HA       THR  13  14.577  -9.051  12.750
  102    HB   THR  13           HB       THR  13  16.019  -9.201  14.874
  103    HG1  THR  13           HG1      THR  13  17.140  -6.907  14.942
  104   1HG2  THR  13          1HG2      THR  13  17.101  -9.093  12.439
  105   2HG2  THR  13          3HG2      THR  13  17.382  -7.403  12.723
  106   3HG2  THR  13          2HG2      THR  13  18.211  -8.585  13.706
  107    H    ALA  14           H        ALA  14  12.856  -9.486  14.235
  108    HA   ALA  14           HA       ALA  14  10.719  -7.836  14.309
  109   1HB   ALA  14          1HB       ALA  14  10.697 -10.125  15.350
  110   2HB   ALA  14          3HB       ALA  14  11.630  -9.522  16.716
  111   3HB   ALA  14          2HB       ALA  14   9.990  -8.954  16.447
  112    H    PHE  15           H        PHE  15  13.410  -7.511  16.352
  113    HA   PHE  15           HA       PHE  15  12.246  -5.498  18.083
  114   1HB   PHE  15          2HB       PHE  15  14.417  -6.797  18.598
  115   2HB   PHE  15          1HB       PHE  15  15.221  -5.877  17.339
  116    HD1  PHE  15           HD1      PHE  15  13.740  -5.734  20.705
  117    HD2  PHE  15           HD2      PHE  15  15.719  -3.470  17.678
  118    HE1  PHE  15           HE1      PHE  15  14.180  -3.950  22.321
  119    HE2  PHE  15           HE2      PHE  15  16.158  -1.691  19.301
  120    HZ   PHE  15           HZ       PHE  15  15.392  -1.921  21.627
  121    H    GLN  16           H        GLN  16  14.419  -5.216  15.269
  122    HA   GLN  16           HA       GLN  16  13.921  -2.311  15.216
  123   1HB   GLN  16          2HB       GLN  16  15.079  -4.013  12.966
  124   2HB   GLN  16          1HB       GLN  16  15.222  -2.283  13.138
  125   1HG   GLN  16          2HG       GLN  16  16.418  -4.280  15.109
  126   2HG   GLN  16          1HG       GLN  16  17.290  -3.493  13.811
  127   1HE2  GLN  16          2HE2      GLN  16  18.154  -1.084  16.265
  128   2HE2  GLN  16          1HE2      GLN  16  18.724  -2.333  15.275
  129    H    CYS  17           H        CYS  17  12.688  -5.068  13.634
  130    HA   CYS  17           HA       CYS  17  11.187  -3.791  11.561
  131   1HB   CYS  17          2HB       CYS  17  10.697  -6.475  12.907
  132   2HB   CYS  17          1HB       CYS  17  10.063  -5.971  11.375
  133    H    LYS  18           H        LYS  18  10.506  -4.440  14.941
  134    HA   LYS  18           HA       LYS  18   7.701  -3.475  14.523
  135   1HB   LYS  18          2HB       LYS  18   8.491  -5.642  15.934
  136   2HB   LYS  18          1HB       LYS  18   8.747  -4.476  17.196
  137   1HG   LYS  18          2HG       LYS  18   6.130  -5.049  15.728
  138   2HG   LYS  18          1HG       LYS  18   6.524  -5.550  17.353
  139   1HD   LYS  18          2HD       LYS  18   6.599  -3.147  18.076
  140   2HD   LYS  18          1HD       LYS  18   6.160  -2.665  16.441
  141   1HE   LYS  18          2HE       LYS  18   4.058  -3.964  16.581
  142   2HE   LYS  18          1HE       LYS  18   4.451  -4.418  18.233
  143   1HZ   LYS  18          2HZ       LYS  18   4.719  -1.642  18.002
  144   2HZ   LYS  18          1HZ       LYS  18   3.231  -2.078  17.317
  145   3HZ   LYS  18          3HZ       LYS  18   3.586  -2.518  18.917
  146    H    HIS  19           H        HIS  19  10.751  -2.695  16.252
  147    HA   HIS  19           HA       HIS  19   9.542  -0.371  17.487
  148   1HB   HIS  19          2HB       HIS  19  12.398  -1.397  17.565
  149   2HB   HIS  19          1HB       HIS  19  11.638  -0.196  18.587
  150    HD1  HIS  19           HD1      HIS  19   9.268  -2.493  18.182
  151    HD2  HIS  19           HD2      HIS  19  12.704  -2.394  20.359
  152    HE1  HIS  19           HE1      HIS  19   9.028  -4.143  19.890
  153    H    SER  20           H        SER  20  12.185  -0.847  14.984
  154    HA   SER  20           HA       SER  20  12.371   2.054  14.818
  155   1HB   SER  20          2HB       SER  20  13.700  -0.278  13.341
  156   2HB   SER  20          1HB       SER  20  14.085   1.431  13.085
  157    HG   SER  20           HG       SER  20  14.841  -0.143  15.174
  158    H    MET  21           H        MET  21  10.339   2.739  14.196
  159    HA   MET  21           HA       MET  21   8.675   1.696  12.209
  160   1HB   MET  21          2HB       MET  21   7.835   4.061  11.916
  161   2HB   MET  21          1HB       MET  21   8.039   3.680  13.607
  162   1HG   MET  21          2HG       MET  21  10.485   4.745  13.182
  163   2HG   MET  21          1HG       MET  21   9.642   5.523  11.865
  164   1HE   MET  21          2HE       MET  21   8.978   4.582  15.560
  165   2HE   MET  21          1HE       MET  21  10.539   5.429  15.467
  166   3HE   MET  21          3HE       MET  21   9.177   6.152  16.309
  167    H    LYS  22           H        LYS  22  11.391   4.015  11.454
  168    HA   LYS  22           HA       LYS  22  10.772   3.820   8.644
  169   1HB   LYS  22          2HB       LYS  22  13.431   4.428   9.994
  170   2HB   LYS  22          1HB       LYS  22  13.135   4.586   8.269
  171   1HG   LYS  22          2HG       LYS  22  11.244   6.158   8.763
  172   2HG   LYS  22          1HG       LYS  22  11.678   6.120  10.467
  173   1HD   LYS  22          2HD       LYS  22  13.980   6.906   9.873
  174   2HD   LYS  22          1HD       LYS  22  13.505   6.942   8.182
  175   1HE   LYS  22          2HE       LYS  22  11.718   8.601   8.729
  176   2HE   LYS  22          1HE       LYS  22  12.242   8.586  10.412
  177   1HZ   LYS  22          2HZ       LYS  22  14.492   8.962   8.782
  178   2HZ   LYS  22          1HZ       LYS  22  13.294  10.055   8.287
  179   3HZ   LYS  22          3HZ       LYS  22  13.804  10.034   9.900
  180    H    TYR  23           H        TYR  23  12.251   1.537  10.704
  181    HA   TYR  23           HA       TYR  23  13.755   0.222   8.596
  182   1HB   TYR  23          2HB       TYR  23  13.001  -0.386  11.463
  183   2HB   TYR  23          1HB       TYR  23  13.560  -1.693  10.539
  184    HD1  TYR  23           HD1      TYR  23  14.490   1.971  10.755
  185    HD2  TYR  23           HD2      TYR  23  15.866  -2.052  10.923
  186    HE1  TYR  23           HE1      TYR  23  16.770   2.766  11.086
  187    HE2  TYR  23           HE2      TYR  23  18.140  -1.263  11.258
  188    HH   TYR  23           HH       TYR  23  19.492   0.578  11.432
  189    H    ARG  24           H        ARG  24  10.620  -0.125  10.204
  190    HA   ARG  24           HA       ARG  24   9.955  -2.357   8.390
  191   1HB   ARG  24          2HB       ARG  24   8.177  -2.614  10.043
  192   2HB   ARG  24          1HB       ARG  24   9.213  -1.609  10.970
  193   1HG   ARG  24          2HG       ARG  24   7.252  -0.448  11.276
  194   2HG   ARG  24          1HG       ARG  24   7.814   0.434   9.887
  195   1HD   ARG  24          2HD       ARG  24   5.438  -0.322   9.348
  196   2HD   ARG  24          1HD       ARG  24   6.475  -1.338   8.489
  197    HE   ARG  24           HE       ARG  24   6.257  -2.356  11.119
  198   1HH1  ARG  24          1HH2      ARG  24   3.840  -1.189   9.092
  199   2HH1  ARG  24          2HH2      ARG  24   2.892  -2.613   9.068
  200   1HH2  ARG  24          2HH1      ARG  24   5.423  -4.398  10.835
  201   2HH2  ARG  24          1HH1      ARG  24   3.848  -4.598  10.134
  202    H    LEU  25           H        LEU  25   9.201   1.064   8.698
  203    HA   LEU  25           HA       LEU  25   7.518   1.196   6.358
  204   1HB   LEU  25          2HB       LEU  25   8.315   3.031   8.605
  205   2HB   LEU  25          1HB       LEU  25   7.751   3.675   7.148
  206    HG   LEU  25           HG       LEU  25   6.036   1.429   8.101
  207   1HD1  LEU  25          1HD1      LEU  25   6.800   2.281  10.353
  208   2HD1  LEU  25          3HD1      LEU  25   6.257   3.888   9.909
  209   3HD1  LEU  25          2HD1      LEU  25   5.099   2.573  10.070
  210   1HD2  LEU  25          3HD2      LEU  25   5.340   3.202   6.402
  211   2HD2  LEU  25          2HD2      LEU  25   4.241   3.080   7.758
  212   3HD2  LEU  25          1HD2      LEU  25   5.400   4.400   7.672
  213    H    SER  26           H        SER  26  10.787   1.150   6.473
  214    HA   SER  26           HA       SER  26  10.844   2.731   3.953
  215   1HB   SER  26          2HB       SER  26  12.893   3.433   6.156
  216   2HB   SER  26          1HB       SER  26  12.706   4.160   4.575
  217    HG   SER  26           HG       SER  26  10.305   4.188   5.585
  218    H    PHE  27           H        PHE  27  13.099   1.059   6.177
  219    HA   PHE  27           HA       PHE  27  14.681   0.237   3.848
  220   1HB   PHE  27          2HB       PHE  27  14.887  -0.862   6.697
  221   2HB   PHE  27          1HB       PHE  27  16.030  -1.057   5.417
  222    HD1  PHE  27           HD1      PHE  27  15.923   1.801   4.245
  223    HD2  PHE  27           HD2      PHE  27  16.255   0.433   8.279
  224    HE1  PHE  27           HE1      PHE  27  17.022   3.875   4.852
  225    HE2  PHE  27           HE2      PHE  27  17.376   2.547   8.868
  226    HZ   PHE  27           HZ       PHE  27  17.757   4.267   7.169
  227    H    CYS  28           H        CYS  28  12.707  -1.642   6.152
  228    HA   CYS  28           HA       CYS  28  12.640  -3.842   4.246
  229   1HB   CYS  28          2HB       CYS  28  11.822  -3.647   7.086
  230   2HB   CYS  28          1HB       CYS  28  11.961  -5.052   6.286
  231    H    ARG  29           H        ARG  29  10.939  -1.921   3.520
  232    HA   ARG  29           HA       ARG  29   8.277  -2.317   4.557
  233   1HB   ARG  29          2HB       ARG  29   8.615  -1.466   1.730
  234   2HB   ARG  29          1HB       ARG  29   7.720  -0.713   3.039
  235   1HG   ARG  29          2HG       ARG  29   9.820   0.160   4.036
  236   2HG   ARG  29          1HG       ARG  29  10.734  -0.440   2.651
  237   1HD   ARG  29          2HD       ARG  29  10.212   1.828   2.179
  238   2HD   ARG  29          1HD       ARG  29   9.226   0.824   1.136
  239    HE   ARG  29           HE       ARG  29   7.775   1.249   3.557
  240   1HH1  ARG  29          2HH1      ARG  29   6.808   1.580   0.842
  241   2HH1  ARG  29          1HH1      ARG  29   6.554   3.287   0.659
  242   1HH2  ARG  29          1HH2      ARG  29   8.461   3.848   3.588
  243   2HH2  ARG  29          2HH2      ARG  29   7.565   4.680   2.362
  244    H    LYS  30           H        LYS  30  10.357  -4.238   2.912
  245    HA   LYS  30           HA       LYS  30   8.648  -5.681   1.121
  246   1HB   LYS  30          2HB       LYS  30  10.452  -7.438   1.217
  247   2HB   LYS  30          1HB       LYS  30  11.061  -5.859   0.851
  248   1HG   LYS  30          2HG       LYS  30  12.628  -6.607   2.408
  249   2HG   LYS  30          1HG       LYS  30  11.567  -5.653   3.418
  250   1HD   LYS  30          2HD       LYS  30  12.335  -7.726   4.464
  251   2HD   LYS  30          1HD       LYS  30  10.614  -7.634   4.400
  252   1HE   LYS  30          2HE       LYS  30  10.692  -9.174   2.351
  253   2HE   LYS  30          1HE       LYS  30  12.440  -9.243   2.523
  254   1HZ   LYS  30          1HZ       LYS  30  11.250  -9.878   4.995
  255   2HZ   LYS  30          3HZ       LYS  30  10.486 -10.785   3.783
  256   3HZ   LYS  30          2HZ       LYS  30  12.167 -10.878   3.981
  257    H    THR  31           H        THR  31   9.246  -6.021   4.588
  258    HA   THR  31           HA       THR  31   6.836  -7.658   4.715
  259    HB   THR  31           HB       THR  31   9.411  -9.130   4.811
  260    HG1  THR  31           HG1      THR  31   7.491  -9.146   3.057
  261   1HG2  THR  31          1HG2      THR  31   6.817 -10.152   6.005
  262   2HG2  THR  31          3HG2      THR  31   8.254 -11.137   5.747
  263   3HG2  THR  31          2HG2      THR  31   8.280  -9.829   6.918
  264    H    CYS  32           H        CYS  32   9.870  -6.836   6.269
  265    HA   CYS  32           HA       CYS  32   8.935  -7.471   8.929
  266   1HB   CYS  32          2HB       CYS  32  11.086  -5.814   7.790
  267   2HB   CYS  32          1HB       CYS  32  10.633  -5.347   9.371
  268    H    GLY  33           H        GLY  33   8.524  -4.772   6.814
  269   1HA   GLY  33          2HA       GLY  33   6.676  -3.692   8.876
  270   2HA   GLY  33          1HA       GLY  33   7.793  -2.691   8.011
  271    H    THR  34           H        THR  34   7.445  -3.398   5.525
  272    HA   THR  34           HA       THR  34   6.134  -2.627   3.685
  273    HB   THR  34           HB       THR  34   5.644  -4.968   4.222
  274    HG1  THR  34           HG1      THR  34   4.629  -4.807   2.491
  275   1HG2  THR  34          1HG2      THR  34   3.172  -3.766   5.632
  276   2HG2  THR  34          3HG2      THR  34   3.239  -5.465   5.191
  277   3HG2  THR  34          2HG2      THR  34   4.356  -4.817   6.343
  278    H    CYS  35           H        CYS  35   6.229  -0.721   5.310
  279    HA   CYS  35           HA       CYS  35   5.410   1.275   5.821
  280   1HB   CYS  35          2HB       CYS  35   3.233   0.511   3.881
  281   2HB   CYS  35          1HB       CYS  35   3.810   2.061   4.426
   
  No H/Q in entry =         281
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1   3.568  -2.557  -9.081
    2   2H    ARG   1          3H        ARG   1   2.283  -1.471  -9.290
    3   3H    ARG   1          2H        ARG   1   3.881  -0.892  -9.216
    4    HA   ARG   1           HA       ARG   1   3.752  -0.686  -7.030
    5   1HB   ARG   1          2HB       ARG   1   1.270  -0.356  -7.541
    6   2HB   ARG   1          1HB       ARG   1   1.043  -2.071  -7.233
    7   1HG   ARG   1          2HG       ARG   1   1.859  -1.765  -4.878
    8   2HG   ARG   1          1HG       ARG   1   2.099  -0.055  -5.180
    9   1HD   ARG   1          2HD       ARG   1  -0.341   0.183  -5.683
   10   2HD   ARG   1          1HD       ARG   1  -0.567  -1.524  -5.302
   11    HE   ARG   1           HE       ARG   1   0.008  -1.042  -2.997
   12   1HH1  ARG   1          1HH2      ARG   1   1.853   0.985  -2.843
   13   2HH1  ARG   1          2HH2      ARG   1   0.967   2.459  -2.592
   14   1HH2  ARG   1          1HH1      ARG   1  -2.019   1.006  -3.688
   15   2HH2  ARG   1          2HH1      ARG   1  -1.310   2.468  -3.081
   16    H    SER   2           H        SER   2   4.994  -1.948  -5.651
   17    HA   SER   2           HA       SER   2   4.226  -4.683  -4.992
   18   1HB   SER   2          2HB       SER   2   6.914  -4.143  -6.388
   19   2HB   SER   2          1HB       SER   2   6.420  -5.687  -5.694
   20    HG   SER   2           HG       SER   2   4.435  -4.874  -7.272
   21    H    CYS   3           H        CYS   3   5.237  -5.333  -3.032
   22    HA   CYS   3           HA       CYS   3   6.369  -3.121  -1.487
   23   1HB   CYS   3          2HB       CYS   3   6.311  -4.850   0.305
   24   2HB   CYS   3          1HB       CYS   3   4.774  -4.421  -0.397
   25    H    ILE   4           H        ILE   4   8.500  -2.820  -1.208
   26    HA   ILE   4           HA       ILE   4  10.350  -5.093  -1.409
   27    HB   ILE   4           HB       ILE   4  11.783  -3.841  -3.077
   28   1HG1  ILE   4          2HG1      ILE   4  10.509  -1.780  -4.210
   29   2HG1  ILE   4          1HG1      ILE   4   9.702  -1.660  -2.669
   30   1HG2  ILE   4          3HG2      ILE   4   9.980  -5.300  -4.004
   31   2HG2  ILE   4          2HG2      ILE   4   8.888  -3.929  -4.042
   32   3HG2  ILE   4          1HG2      ILE   4  10.309  -3.941  -5.066
   33   1HD1  ILE   4          2HD1      ILE   4  12.720  -1.532  -3.056
   34   2HD1  ILE   4          1HD1      ILE   4  11.658  -0.160  -2.781
   35   3HD1  ILE   4          3HD1      ILE   4  11.893  -1.349  -1.522
   36    H    ASP   5           H        ASP   5  12.480  -4.356  -0.907
   37    HA   ASP   5           HA       ASP   5  12.526  -2.430   1.377
   38   1HB   ASP   5          2HB       ASP   5  14.008  -3.858   2.481
   39   2HB   ASP   5          1HB       ASP   5  12.517  -4.647   2.099
   40    H    THR   6           H        THR   6  14.511  -1.598   1.905
   41    HA   THR   6           HA       THR   6  16.309  -0.995  -0.394
   42    HB   THR   6           HB       THR   6  17.306   0.560   1.563
   43    HG1  THR   6           HG1      THR   6  15.075   0.505   2.899
   44   1HG2  THR   6          1HG2      THR   6  14.295   0.839   0.903
   45   2HG2  THR   6          3HG2      THR   6  15.367   2.140   1.416
   46   3HG2  THR   6          2HG2      THR   6  15.566   1.409  -0.162
   47    H    ILE   7           H        ILE   7  16.043  -2.453   2.643
   48    HA   ILE   7           HA       ILE   7  18.196  -4.402   2.306
   49    HB   ILE   7           HB       ILE   7  19.104  -3.969   4.576
   50   1HG1  ILE   7          2HG1      ILE   7  18.542  -1.496   5.352
   51   2HG1  ILE   7          1HG1      ILE   7  17.061  -1.826   4.469
   52   1HG2  ILE   7          1HG2      ILE   7  20.238  -2.951   2.615
   53   2HG2  ILE   7          3HG2      ILE   7  19.244  -1.517   2.775
   54   3HG2  ILE   7          2HG2      ILE   7  20.396  -1.925   4.028
   55   1HD1  ILE   7          2HD1      ILE   7  18.115  -3.639   6.671
   56   2HD1  ILE   7          1HD1      ILE   7  16.873  -2.422   6.940
   57   3HD1  ILE   7          3HD1      ILE   7  16.560  -3.791   5.927
   58    HA   PRO   8           HA       PRO   8  14.545  -5.895   4.640
   59   1HB   PRO   8          2HB       PRO   8  14.519  -8.449   3.970
   60   2HB   PRO   8          1HB       PRO   8  14.873  -7.324   2.689
   61   1HG   PRO   8          2HG       PRO   8  16.965  -8.941   4.092
   62   2HG   PRO   8          1HG       PRO   8  16.752  -8.610   2.377
   63   1HD   PRO   8          2HD       PRO   8  18.217  -7.034   4.314
   64   2HD   PRO   8          1HD       PRO   8  18.036  -6.668   2.568
   65    H    LYS   9           H        LYS   9  15.105  -8.525   5.566
   66    HA   LYS   9           HA       LYS   9  15.298  -8.497   8.235
   67   1HB   LYS   9          2HB       LYS   9  15.046 -10.348   6.470
   68   2HB   LYS   9          1HB       LYS   9  16.789 -10.396   6.489
   69   1HG   LYS   9          2HG       LYS   9  16.890 -10.960   8.862
   70   2HG   LYS   9          1HG       LYS   9  15.172 -10.700   9.074
   71   1HD   LYS   9          2HD       LYS   9  14.787 -12.646   7.413
   72   2HD   LYS   9          1HD       LYS   9  16.517 -12.918   7.442
   73   1HE   LYS   9          2HE       LYS   9  15.431 -14.439   9.042
   74   2HE   LYS   9          1HE       LYS   9  16.406 -13.276   9.923
   75   1HZ   LYS   9          2HZ       LYS   9  13.842 -12.186   9.568
   76   2HZ   LYS   9          1HZ       LYS   9  13.669 -13.769  10.158
   77   3HZ   LYS   9          3HZ       LYS   9  14.605 -12.636  11.009
   78    H    SER  10           H        SER  10  17.893  -8.179   6.014
   79    HA   SER  10           HA       SER  10  20.115  -8.699   7.625
   80   1HB   SER  10          2HB       SER  10  20.385  -7.942   5.208
   81   2HB   SER  10          1HB       SER  10  19.924  -6.302   5.703
   82    HG   SER  10           HG       SER  10  21.811  -7.065   7.407
   83    H    ARG  11           H        ARG  11  18.193  -5.793   7.809
   84    HA   ARG  11           HA       ARG  11  19.673  -5.196  10.331
   85   1HB   ARG  11          2HB       ARG  11  18.715  -3.006   8.415
   86   2HB   ARG  11          1HB       ARG  11  19.781  -2.899   9.761
   87   1HG   ARG  11          2HG       ARG  11  21.592  -4.059   8.666
   88   2HG   ARG  11          1HG       ARG  11  20.581  -4.549   7.335
   89   1HD   ARG  11          2HD       ARG  11  21.965  -2.655   6.644
   90   2HD   ARG  11          1HD       ARG  11  20.279  -2.169   6.654
   91    HE   ARG  11           HE       ARG  11  21.326  -1.527   9.212
   92   1HH1  ARG  11          2HH1      ARG  11  23.710  -0.824   8.042
   93   2HH1  ARG  11          1HH1      ARG  11  23.544   0.777   7.400
   94   1HH2  ARG  11          1HH2      ARG  11  20.013   0.418   7.506
   95   2HH2  ARG  11          2HH2      ARG  11  21.274   1.516   7.035
   96    H    CYS  12           H        CYS  12  17.271  -6.605   9.505
   97    HA   CYS  12           HA       CYS  12  15.251  -5.121  11.048
   98   1HB   CYS  12          2HB       CYS  12  15.092  -6.228   8.365
   99   2HB   CYS  12          1HB       CYS  12  13.878  -6.698   9.514
  100    H    THR  13           H        THR  13  14.803  -6.219  12.700
  101    HA   THR  13           HA       THR  13  14.389  -9.115  12.709
  102    HB   THR  13           HB       THR  13  15.967  -9.142  14.800
  103    HG1  THR  13           HG1      THR  13  17.102  -6.807  14.531
  104   1HG2  THR  13          3HG2      THR  13  16.885  -9.204  12.291
  105   2HG2  THR  13          2HG2      THR  13  17.182  -7.502  12.451
  106   3HG2  THR  13          1HG2      THR  13  18.073  -8.611  13.448
  107    H    ALA  14           H        ALA  14  12.712  -9.473  14.346
  108    HA   ALA  14           HA       ALA  14  10.605  -7.738  14.392
  109   1HB   ALA  14          1HB       ALA  14  11.518  -9.410  16.800
  110   2HB   ALA  14          3HB       ALA  14   9.895  -8.779  16.577
  111   3HB   ALA  14          2HB       ALA  14  10.517  -9.997  15.479
  112    H    PHE  15           H        PHE  15  13.413  -7.453  16.279
  113    HA   PHE  15           HA       PHE  15  12.428  -5.330  18.019
  114   1HB   PHE  15          2HB       PHE  15  14.608  -6.973  18.165
  115   2HB   PHE  15          1HB       PHE  15  15.388  -5.641  17.340
  116    HD1  PHE  15           HD1      PHE  15  13.328  -6.473  20.317
  117    HD2  PHE  15           HD2      PHE  15  16.104  -3.728  18.608
  118    HE1  PHE  15           HE1      PHE  15  13.545  -5.348  22.483
  119    HE2  PHE  15           HE2      PHE  15  16.318  -2.607  20.776
  120    HZ   PHE  15           HZ       PHE  15  15.039  -3.411  22.719
  121    H    GLN  16           H        GLN  16  14.669  -5.368  15.273
  122    HA   GLN  16           HA       GLN  16  14.602  -2.485  14.908
  123   1HB   GLN  16          2HB       GLN  16  15.503  -4.711  13.021
  124   2HB   GLN  16          1HB       GLN  16  15.884  -3.014  12.835
  125   1HG   GLN  16          2HG       GLN  16  16.998  -2.996  14.965
  126   2HG   GLN  16          1HG       GLN  16  16.505  -4.613  15.364
  127   1HE2  GLN  16          2HE2      GLN  16  19.410  -4.405  12.514
  128   2HE2  GLN  16          1HE2      GLN  16  18.195  -3.216  12.463
  129    H    CYS  17           H        CYS  17  12.540  -4.914  14.044
  130    HA   CYS  17           HA       CYS  17  11.289  -3.456  11.781
  131   1HB   CYS  17          2HB       CYS  17  10.445  -6.094  13.051
  132   2HB   CYS  17          1HB       CYS  17   9.863  -5.434  11.543
  133    H    LYS  18           H        LYS  18  10.291  -4.456  15.110
  134    HA   LYS  18           HA       LYS  18   7.818  -2.894  14.767
  135   1HB   LYS  18          2HB       LYS  18   8.883  -4.842  16.826
  136   2HB   LYS  18          1HB       LYS  18   7.606  -3.744  17.256
  137   1HG   LYS  18          2HG       LYS  18   6.203  -4.566  15.386
  138   2HG   LYS  18          1HG       LYS  18   7.509  -5.616  14.859
  139   1HD   LYS  18          2HD       LYS  18   7.329  -6.991  16.840
  140   2HD   LYS  18          1HD       LYS  18   6.369  -5.799  17.690
  141   1HE   LYS  18          2HE       LYS  18   5.012  -7.734  16.854
  142   2HE   LYS  18          1HE       LYS  18   4.440  -6.202  16.226
  143   1HZ   LYS  18          3HZ       LYS  18   6.399  -7.238  14.481
  144   2HZ   LYS  18          2HZ       LYS  18   5.248  -8.443  14.798
  145   3HZ   LYS  18          1HZ       LYS  18   4.754  -6.943  14.183
  146    H    HIS  19           H        HIS  19  10.936  -2.615  16.365
  147    HA   HIS  19           HA       HIS  19  10.043  -0.294  17.872
  148   1HB   HIS  19          2HB       HIS  19  12.775  -1.629  17.745
  149   2HB   HIS  19          1HB       HIS  19  12.163  -0.470  18.895
  150    HD1  HIS  19           HD1      HIS  19   9.539  -2.435  18.385
  151    HD2  HIS  19           HD2      HIS  19  13.052  -2.971  20.371
  152    HE1  HIS  19           HE1      HIS  19   9.176  -4.216  19.922
  153    H    SER  20           H        SER  20  12.539  -0.986  15.244
  154    HA   SER  20           HA       SER  20  12.952   1.909  15.128
  155   1HB   SER  20          2HB       SER  20  14.064  -0.395  13.424
  156   2HB   SER  20          1HB       SER  20  14.692   1.243  13.541
  157    HG   SER  20           HG       SER  20  15.750   0.352  15.155
  158    H    MET  21           H        MET  21  10.727   2.396  14.705
  159    HA   MET  21           HA       MET  21   9.039   1.499  12.721
  160   1HB   MET  21          2HB       MET  21   9.612   4.403  13.543
  161   2HB   MET  21          1HB       MET  21   8.189   3.917  12.648
  162   1HG   MET  21          2HG       MET  21   7.260   2.780  14.426
  163   2HG   MET  21          1HG       MET  21   8.770   2.401  15.181
  164   1HE   MET  21          2HE       MET  21   9.758   3.476  17.047
  165   2HE   MET  21          1HE       MET  21  10.333   4.728  15.919
  166   3HE   MET  21          3HE       MET  21   9.600   5.173  17.450
  167    H    LYS  22           H        LYS  22  11.504   3.992  12.033
  168    HA   LYS  22           HA       LYS  22  10.852   4.027   9.234
  169   1HB   LYS  22          2HB       LYS  22  13.449   4.745  10.712
  170   2HB   LYS  22          1HB       LYS  22  13.262   4.951   8.981
  171   1HG   LYS  22          2HG       LYS  22  11.314   6.447   9.312
  172   2HG   LYS  22          1HG       LYS  22  11.408   6.230  11.049
  173   1HD   LYS  22          2HD       LYS  22  13.499   7.417  11.203
  174   2HD   LYS  22          1HD       LYS  22  13.779   7.322   9.478
  175   1HE   LYS  22          2HE       LYS  22  13.029   9.591  10.141
  176   2HE   LYS  22          1HE       LYS  22  11.878   8.849   9.047
  177   1HZ   LYS  22          2HZ       LYS  22  11.182   8.163  11.684
  178   2HZ   LYS  22          1HZ       LYS  22  11.432   9.836  11.615
  179   3HZ   LYS  22          3HZ       LYS  22  10.316   9.107  10.570
  180    H    TYR  23           H        TYR  23  12.698   1.804  11.075
  181    HA   TYR  23           HA       TYR  23  14.114   0.630   8.836
  182   1HB   TYR  23          2HB       TYR  23  13.484  -0.110  11.645
  183   2HB   TYR  23          1HB       TYR  23  13.959  -1.412  10.723
  184    HD1  TYR  23           HD1      TYR  23  15.087   2.212  11.141
  185    HD2  TYR  23           HD2      TYR  23  16.144  -1.889  10.979
  186    HE1  TYR  23           HE1      TYR  23  17.438   2.797  11.579
  187    HE2  TYR  23           HE2      TYR  23  18.480  -1.323  11.414
  188    HH   TYR  23           HH       TYR  23  19.967   0.501  11.250
  189    H    ARG  24           H        ARG  24  10.885   0.127  10.302
  190    HA   ARG  24           HA       ARG  24  10.469  -2.060   8.297
  191   1HB   ARG  24          2HB       ARG  24   9.000  -2.833   9.918
  192   2HB   ARG  24          1HB       ARG  24   9.812  -1.758  10.962
  193   1HG   ARG  24          2HG       ARG  24   7.778  -1.334  11.531
  194   2HG   ARG  24          1HG       ARG  24   8.134   0.017  10.494
  195   1HD   ARG  24          2HD       ARG  24   6.629  -0.792   8.799
  196   2HD   ARG  24          1HD       ARG  24   6.810  -2.470   9.314
  197    HE   ARG  24           HE       ARG  24   5.802  -1.731  11.465
  198   1HH1  ARG  24          2HH1      ARG  24   4.696  -1.422   8.380
  199   2HH1  ARG  24          1HH1      ARG  24   3.293  -0.455   8.699
  200   1HH2  ARG  24          1HH2      ARG  24   4.228  -0.197  12.103
  201   2HH2  ARG  24          2HH2      ARG  24   2.948   0.218  11.005
  202    H    LEU  25           H        LEU  25   9.082   1.159   9.146
  203    HA   LEU  25           HA       LEU  25   7.203   1.187   6.995
  204   1HB   LEU  25          2HB       LEU  25   8.223   3.083   9.104
  205   2HB   LEU  25          1HB       LEU  25   7.126   3.598   7.894
  206    HG   LEU  25           HG       LEU  25   6.501   1.114   9.545
  207   1HD1  LEU  25          3HD1      LEU  25   5.938   3.990  10.374
  208   2HD1  LEU  25          2HD1      LEU  25   5.347   2.555  11.198
  209   3HD1  LEU  25          1HD1      LEU  25   7.064   2.893  11.152
  210   1HD2  LEU  25          2HD2      LEU  25   4.715   3.250   8.272
  211   2HD2  LEU  25          1HD2      LEU  25   5.045   1.673   7.574
  212   3HD2  LEU  25          3HD2      LEU  25   4.158   1.793   9.077
  213    H    SER  26           H        SER  26  10.434   1.611   6.960
  214    HA   SER  26           HA       SER  26  10.231   3.235   4.462
  215   1HB   SER  26          2HB       SER  26  12.432   3.781   6.575
  216   2HB   SER  26          1HB       SER  26  12.225   4.533   5.032
  217    HG   SER  26           HG       SER  26  10.809   5.829   5.983
  218    H    PHE  27           H        PHE  27  12.493   1.295   6.475
  219    HA   PHE  27           HA       PHE  27  13.923   0.619   4.060
  220   1HB   PHE  27          2HB       PHE  27  14.285  -0.877   6.674
  221   2HB   PHE  27          1HB       PHE  27  15.339  -0.824   5.311
  222    HD1  PHE  27           HD2      PHE  27  14.469   2.548   5.392
  223    HD2  PHE  27           HD1      PHE  27  16.535  -0.333   7.771
  224    HE1  PHE  27           HE2      PHE  27  15.740   4.333   6.469
  225    HE2  PHE  27           HE1      PHE  27  17.806   1.465   8.832
  226    HZ   PHE  27           HZ       PHE  27  17.411   3.806   8.186
  227    H    CYS  28           H        CYS  28  12.422  -1.647   6.310
  228    HA   CYS  28           HA       CYS  28  12.372  -3.714   4.251
  229   1HB   CYS  28          2HB       CYS  28  11.484  -3.742   7.113
  230   2HB   CYS  28          1HB       CYS  28  11.845  -5.081   6.220
  231    H    ARG  29           H        ARG  29  10.449  -1.598   4.027
  232    HA   ARG  29           HA       ARG  29   7.756  -2.267   4.589
  233   1HB   ARG  29          2HB       ARG  29   8.902  -1.336   1.948
  234   2HB   ARG  29          1HB       ARG  29   7.280  -1.146   2.563
  235   1HG   ARG  29          2HG       ARG  29   8.096   0.260   4.444
  236   2HG   ARG  29          1HG       ARG  29   9.755   0.081   3.911
  237   1HD   ARG  29          2HD       ARG  29   8.791   2.199   3.090
  238   2HD   ARG  29          1HD       ARG  29   9.153   1.141   1.722
  239    HE   ARG  29           HE       ARG  29   6.546   0.500   2.505
  240   1HH1  ARG  29          2HH1      ARG  29   6.739   3.390   3.167
  241   2HH1  ARG  29          1HH1      ARG  29   6.003   4.129   1.782
  242   1HH2  ARG  29          1HH2      ARG  29   6.470   1.119  -0.051
  243   2HH2  ARG  29          2HH2      ARG  29   5.886   2.745  -0.229
  244    H    LYS  30           H        LYS  30  10.032  -4.192   2.809
  245    HA   LYS  30           HA       LYS  30   8.258  -5.562   1.062
  246   1HB   LYS  30          2HB       LYS  30  10.069  -7.286   0.949
  247   2HB   LYS  30          1HB       LYS  30  10.679  -5.691   0.714
  248   1HG   LYS  30          2HG       LYS  30  12.276  -6.574   2.138
  249   2HG   LYS  30          1HG       LYS  30  11.263  -5.710   3.266
  250   1HD   LYS  30          2HD       LYS  30  11.828  -7.785   4.267
  251   2HD   LYS  30          1HD       LYS  30  10.173  -7.955   3.748
  252   1HE   LYS  30          2HE       LYS  30  12.437  -8.924   1.991
  253   2HE   LYS  30          1HE       LYS  30  11.761  -9.941   3.249
  254   1HZ   LYS  30          2HZ       LYS  30   9.627  -8.860   1.802
  255   2HZ   LYS  30          1HZ       LYS  30  10.750  -9.488   0.683
  256   3HZ   LYS  30          3HZ       LYS  30  10.123 -10.466   1.919
  257    H    THR  31           H        THR  31   8.958  -5.974   4.487
  258    HA   THR  31           HA       THR  31   6.552  -7.645   4.705
  259    HB   THR  31           HB       THR  31   9.140  -9.134   4.909
  260    HG1  THR  31           HG1      THR  31   7.250  -9.085   3.036
  261   1HG2  THR  31          3HG2      THR  31   6.398 -10.145   5.759
  262   2HG2  THR  31          2HG2      THR  31   7.865 -11.107   5.702
  263   3HG2  THR  31          1HG2      THR  31   7.709  -9.813   6.878
  264    H    CYS  32           H        CYS  32   9.647  -6.929   6.125
  265    HA   CYS  32           HA       CYS  32   8.600  -7.261   8.883
  266   1HB   CYS  32          2HB       CYS  32  11.110  -6.571   7.653
  267   2HB   CYS  32          1HB       CYS  32  10.755  -5.433   8.901
  268    H    GLY  33           H        GLY  33   8.924  -5.039   6.509
  269   1HA   GLY  33          2HA       GLY  33   8.247  -2.698   7.974
  270   2HA   GLY  33          1HA       GLY  33   8.681  -2.814   6.309
  271    H    THR  34           H        THR  34   6.374  -4.881   6.206
  272    HA   THR  34           HA       THR  34   4.024  -4.898   6.095
  273    HB   THR  34           HB       THR  34   4.300  -1.972   6.174
  274    HG1  THR  34           HG1      THR  34   3.271  -3.362   8.393
  275   1HG2  THR  34          1HG2      THR  34   1.848  -3.753   6.834
  276   2HG2  THR  34          3HG2      THR  34   1.880  -1.998   6.999
  277   3HG2  THR  34          2HG2      THR  34   1.992  -2.733   5.404
  278    H    CYS  35           H        CYS  35   4.324  -5.691   4.164
  279    HA   CYS  35           HA       CYS  35   5.006  -4.551   1.763
  280   1HB   CYS  35          2HB       CYS  35   3.108  -6.767   2.464
  281   2HB   CYS  35          1HB       CYS  35   2.959  -6.132   0.857
   
  No H/Q in entry =         281
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1   2.341  -5.733  -2.746
    2   2H    ARG   1          3H        ARG   1   0.728  -5.484  -2.284
    3   3H    ARG   1          2H        ARG   1   1.122  -6.741  -3.354
    4    HA   ARG   1           HA       ARG   1   0.883  -5.437  -5.089
    5   1HB   ARG   1          2HB       ARG   1  -0.848  -4.322  -3.693
    6   2HB   ARG   1          1HB       ARG   1   0.347  -3.274  -2.973
    7   1HG   ARG   1          2HG       ARG   1  -0.700  -1.906  -4.618
    8   2HG   ARG   1          1HG       ARG   1   0.777  -2.393  -5.412
    9   1HD   ARG   1          2HD       ARG   1  -1.885  -3.821  -5.823
   10   2HD   ARG   1          1HD       ARG   1  -1.247  -2.578  -6.890
   11    HE   ARG   1           HE       ARG   1  -0.161  -5.317  -6.578
   12   1HH1  ARG   1          1HH1      ARG   1   2.233  -4.725  -7.134
   13   2HH1  ARG   1          2HH1      ARG   1   2.372  -4.051  -8.722
   14   1HH2  ARG   1          1HH2      ARG   1  -1.046  -3.352  -8.886
   15   2HH2  ARG   1          2HH2      ARG   1   0.457  -3.238  -9.748
   16    H    SER   2           H        SER   2   2.397  -3.143  -2.845
   17    HA   SER   2           HA       SER   2   4.888  -3.197  -4.470
   18   1HB   SER   2          2HB       SER   2   3.296  -0.627  -3.955
   19   2HB   SER   2          1HB       SER   2   4.858  -0.729  -4.779
   20    HG   SER   2           HG       SER   2   3.225  -2.574  -5.847
   21    H    CYS   3           H        CYS   3   5.512  -4.275  -2.493
   22    HA   CYS   3           HA       CYS   3   6.386  -2.303  -0.441
   23   1HB   CYS   3          2HB       CYS   3   5.808  -3.951   1.283
   24   2HB   CYS   3          1HB       CYS   3   4.407  -3.653   0.313
   25    H    ILE   4           H        ILE   4   8.582  -2.300  -0.378
   26    HA   ILE   4           HA       ILE   4  10.057  -4.822  -0.756
   27    HB   ILE   4           HB       ILE   4  11.594  -3.700  -2.481
   28   1HG1  ILE   4          2HG1      ILE   4   9.599  -1.380  -2.413
   29   2HG1  ILE   4          1HG1      ILE   4  11.199  -1.332  -1.703
   30   1HG2  ILE   4          2HG2      ILE   4   9.666  -5.025  -3.342
   31   2HG2  ILE   4          1HG2      ILE   4   8.669  -3.588  -3.371
   32   3HG2  ILE   4          3HG2      ILE   4  10.055  -3.721  -4.438
   33   1HD1  ILE   4          1HD1      ILE   4  12.214  -1.718  -3.953
   34   2HD1  ILE   4          3HD1      ILE   4  10.620  -1.726  -4.690
   35   3HD1  ILE   4          2HD1      ILE   4  11.231  -0.269  -3.931
   36    H    ASP   5           H        ASP   5  12.353  -4.338  -0.557
   37    HA   ASP   5           HA       ASP   5  12.675  -2.692   1.903
   38   1HB   ASP   5          2HB       ASP   5  14.083  -4.286   2.698
   39   2HB   ASP   5          1HB       ASP   5  12.609  -4.905   2.107
   40    H    THR   6           H        THR   6  14.509  -1.652   2.251
   41    HA   THR   6           HA       THR   6  16.247  -0.931  -0.065
   42    HB   THR   6           HB       THR   6  16.016   0.169   2.832
   43    HG1  THR   6           HG1      THR   6  14.363   1.068   1.730
   44   1HG2  THR   6          3HG2      THR   6  17.468   1.375   0.429
   45   2HG2  THR   6          2HG2      THR   6  17.359   2.057   2.041
   46   3HG2  THR   6          1HG2      THR   6  18.322   0.614   1.759
   47    H    ILE   7           H        ILE   7  16.051  -2.607   2.889
   48    HA   ILE   7           HA       ILE   7  18.371  -4.305   2.475
   49    HB   ILE   7           HB       ILE   7  19.085  -3.993   4.860
   50   1HG1  ILE   7          2HG1      ILE   7  18.317  -1.591   5.718
   51   2HG1  ILE   7          1HG1      ILE   7  16.955  -1.963   4.678
   52   1HG2  ILE   7          1HG2      ILE   7  20.313  -2.837   3.040
   53   2HG2  ILE   7          3HG2      ILE   7  19.236  -1.464   3.150
   54   3HG2  ILE   7          2HG2      ILE   7  20.312  -1.840   4.476
   55   1HD1  ILE   7          3HD1      ILE   7  17.828  -3.830   6.912
   56   2HD1  ILE   7          2HD1      ILE   7  16.546  -2.645   7.095
   57   3HD1  ILE   7          1HD1      ILE   7  16.377  -3.983   6.017
   58    HA   PRO   8           HA       PRO   8  14.729  -6.250   4.457
   59   1HB   PRO   8          2HB       PRO   8  14.995  -8.775   3.748
   60   2HB   PRO   8          1HB       PRO   8  15.392  -7.603   2.517
   61   1HG   PRO   8          2HG       PRO   8  17.489  -8.989   4.139
   62   2HG   PRO   8          1HG       PRO   8  17.363  -8.758   2.398
   63   1HD   PRO   8          2HD       PRO   8  18.547  -6.955   4.308
   64   2HD   PRO   8          1HD       PRO   8  18.353  -6.620   2.567
   65    H    LYS   9           H        LYS   9  15.412  -8.811   5.433
   66    HA   LYS   9           HA       LYS   9  15.422  -8.898   8.052
   67   1HB   LYS   9          2HB       LYS   9  15.650 -10.683   6.259
   68   2HB   LYS   9          1HB       LYS   9  17.357 -10.427   6.375
   69   1HG   LYS   9          2HG       LYS   9  17.104 -12.263   7.880
   70   2HG   LYS   9          1HG       LYS   9  17.175 -10.880   8.942
   71   1HD   LYS   9          2HD       LYS   9  15.315 -11.767   9.879
   72   2HD   LYS   9          1HD       LYS   9  14.456 -11.001   8.563
   73   1HE   LYS   9          2HE       LYS   9  15.443 -13.899   8.678
   74   2HE   LYS   9          1HE       LYS   9  13.775 -13.360   8.689
   75   1HZ   LYS   9          1HZ       LYS   9  14.972 -12.278   6.434
   76   2HZ   LYS   9          3HZ       LYS   9  15.404 -13.919   6.481
   77   3HZ   LYS   9          2HZ       LYS   9  13.768 -13.475   6.507
   78    H    SER  10           H        SER  10  18.213  -8.273   6.081
   79    HA   SER  10           HA       SER  10  20.350  -8.439   7.777
   80   1HB   SER  10          2HB       SER  10  19.900  -6.082   5.877
   81   2HB   SER  10          1HB       SER  10  21.463  -6.804   6.320
   82    HG   SER  10           HG       SER  10  21.052  -8.397   4.969
   83    H    ARG  11           H        ARG  11  18.275  -5.664   7.633
   84    HA   ARG  11           HA       ARG  11  19.405  -4.887  10.314
   85   1HB   ARG  11          2HB       ARG  11  18.471  -2.706   8.396
   86   2HB   ARG  11          1HB       ARG  11  19.643  -2.713   9.665
   87   1HG   ARG  11          2HG       ARG  11  21.287  -4.004   8.375
   88   2HG   ARG  11          1HG       ARG  11  20.168  -4.139   7.038
   89   1HD   ARG  11          2HD       ARG  11  21.752  -2.405   6.518
   90   2HD   ARG  11          1HD       ARG  11  20.179  -1.664   6.765
   91    HE   ARG  11           HE       ARG  11  20.963  -0.967   9.029
   92   1HH1  ARG  11          2HH1      ARG  11  23.110  -2.694   9.476
   93   2HH1  ARG  11          1HH1      ARG  11  24.554  -1.795   9.128
   94   1HH2  ARG  11          1HH2      ARG  11  22.579   0.510   7.260
   95   2HH2  ARG  11          2HH2      ARG  11  24.222   0.196   7.720
   96    H    CYS  12           H        CYS  12  17.130  -6.398   9.089
   97    HA   CYS  12           HA       CYS  12  14.840  -5.038  10.351
   98   1HB   CYS  12          2HB       CYS  12  15.022  -6.931   8.095
   99   2HB   CYS  12          1HB       CYS  12  13.672  -6.454   9.015
  100    H    THR  13           H        THR  13  14.604  -6.003  12.219
  101    HA   THR  13           HA       THR  13  14.288  -8.922  12.366
  102    HB   THR  13           HB       THR  13  16.004  -8.949  14.264
  103    HG1  THR  13           HG1      THR  13  16.456  -7.076  15.182
  104   1HG2  THR  13          3HG2      THR  13  16.904  -8.627  11.760
  105   2HG2  THR  13          2HG2      THR  13  16.981  -6.925  12.114
  106   3HG2  THR  13          1HG2      THR  13  18.016  -8.025  12.979
  107    H    ALA  14           H        ALA  14  12.751  -9.352  14.142
  108    HA   ALA  14           HA       ALA  14  10.590  -7.682  14.322
  109   1HB   ALA  14          3HB       ALA  14  11.725  -9.350  16.643
  110   2HB   ALA  14          2HB       ALA  14  10.070  -8.771  16.545
  111   3HB   ALA  14          1HB       ALA  14  10.653  -9.952  15.386
  112    H    PHE  15           H        PHE  15  13.523  -7.267  15.992
  113    HA   PHE  15           HA       PHE  15  12.545  -5.182  17.808
  114   1HB   PHE  15          2HB       PHE  15  14.662  -6.595  18.195
  115   2HB   PHE  15          1HB       PHE  15  15.422  -5.727  16.876
  116    HD1  PHE  15           HD1      PHE  15  15.878  -3.252  17.091
  117    HD2  PHE  15           HD2      PHE  15  14.378  -5.575  20.348
  118    HE1  PHE  15           HE1      PHE  15  16.531  -1.489  18.668
  119    HE2  PHE  15           HE2      PHE  15  15.039  -3.811  21.907
  120    HZ   PHE  15           HZ       PHE  15  16.115  -1.764  21.076
  121    H    GLN  16           H        GLN  16  14.586  -5.169  14.879
  122    HA   GLN  16           HA       GLN  16  14.400  -2.294  14.569
  123   1HB   GLN  16          2HB       GLN  16  15.132  -4.453  12.570
  124   2HB   GLN  16          1HB       GLN  16  15.363  -2.753  12.319
  125   1HG   GLN  16          2HG       GLN  16  16.508  -4.066  14.816
  126   2HG   GLN  16          1HG       GLN  16  17.288  -4.190  13.253
  127   1HE2  GLN  16          2HE2      GLN  16  17.931  -0.654  13.065
  128   2HE2  GLN  16          1HE2      GLN  16  17.685  -2.057  12.131
  129    H    CYS  17           H        CYS  17  12.415  -4.822  13.756
  130    HA   CYS  17           HA       CYS  17  10.918  -3.318  11.692
  131   1HB   CYS  17          2HB       CYS  17  10.282  -6.076  12.838
  132   2HB   CYS  17          1HB       CYS  17   9.718  -5.398  11.331
  133    H    LYS  18           H        LYS  18  10.426  -4.366  15.054
  134    HA   LYS  18           HA       LYS  18   7.705  -3.139  14.971
  135   1HB   LYS  18          2HB       LYS  18   8.516  -5.450  16.107
  136   2HB   LYS  18          1HB       LYS  18   8.889  -4.417  17.457
  137   1HG   LYS  18          2HG       LYS  18   6.169  -4.693  16.093
  138   2HG   LYS  18          1HG       LYS  18   6.629  -5.462  17.590
  139   1HD   LYS  18          2HD       LYS  18   6.935  -3.134  18.610
  140   2HD   LYS  18          1HD       LYS  18   6.312  -2.461  17.115
  141   1HE   LYS  18          2HE       LYS  18   4.517  -2.695  18.796
  142   2HE   LYS  18          1HE       LYS  18   4.186  -3.675  17.378
  143   1HZ   LYS  18          2HZ       LYS  18   5.703  -5.194  19.210
  144   2HZ   LYS  18          1HZ       LYS  18   4.394  -4.503  20.030
  145   3HZ   LYS  18          3HZ       LYS  18   4.118  -5.467  18.664
  146    H    HIS  19           H        HIS  19  10.955  -2.628  16.352
  147    HA   HIS  19           HA       HIS  19  10.028  -0.310  17.837
  148   1HB   HIS  19          2HB       HIS  19  12.810  -1.540  17.701
  149   2HB   HIS  19          1HB       HIS  19  12.164  -0.342  18.786
  150    HD1  HIS  19           HD1      HIS  19   9.727  -2.607  18.318
  151    HD2  HIS  19           HD2      HIS  19  13.082  -2.486  20.613
  152    HE1  HIS  19           HE1      HIS  19   9.423  -4.232  20.017
  153    H    SER  20           H        SER  20  12.585  -0.952  15.270
  154    HA   SER  20           HA       SER  20  12.955   1.915  15.044
  155   1HB   SER  20          2HB       SER  20  14.094  -0.430  13.395
  156   2HB   SER  20          1HB       SER  20  14.763   1.201  13.555
  157    HG   SER  20           HG       SER  20  15.658  -0.341  15.129
  158    H    MET  21           H        MET  21  10.767   2.364  14.623
  159    HA   MET  21           HA       MET  21   9.007   1.539  12.638
  160   1HB   MET  21          2HB       MET  21   9.645   4.423  13.441
  161   2HB   MET  21          1HB       MET  21   8.200   3.926  12.585
  162   1HG   MET  21          2HG       MET  21   7.331   2.785  14.390
  163   2HG   MET  21          1HG       MET  21   8.856   2.512  15.167
  164   1HE   MET  21          2HE       MET  21   9.889   3.722  16.816
  165   2HE   MET  21          1HE       MET  21  10.315   5.083  15.753
  166   3HE   MET  21          3HE       MET  21   9.567   5.361  17.320
  167    H    LYS  22           H        LYS  22  11.502   3.976  11.965
  168    HA   LYS  22           HA       LYS  22  10.828   4.163   9.190
  169   1HB   LYS  22          2HB       LYS  22  13.562   4.568  10.528
  170   2HB   LYS  22          1HB       LYS  22  13.137   5.124   8.918
  171   1HG   LYS  22          2HG       LYS  22  11.356   6.567   9.842
  172   2HG   LYS  22          1HG       LYS  22  11.686   6.005  11.467
  173   1HD   LYS  22          2HD       LYS  22  13.980   6.950  11.345
  174   2HD   LYS  22          1HD       LYS  22  13.675   7.492   9.701
  175   1HE   LYS  22          2HE       LYS  22  11.768   8.901  10.538
  176   2HE   LYS  22          1HE       LYS  22  12.134   8.394  12.182
  177   1HZ   LYS  22          1HZ       LYS  22  14.502   9.309  10.987
  178   2HZ   LYS  22          3HZ       LYS  22  13.289  10.460  10.717
  179   3HZ   LYS  22          2HZ       LYS  22  13.651   9.963  12.299
  180    H    TYR  23           H        TYR  23  12.690   1.901  10.948
  181    HA   TYR  23           HA       TYR  23  13.987   0.659   8.658
  182   1HB   TYR  23          2HB       TYR  23  13.559   0.023  11.579
  183   2HB   TYR  23          1HB       TYR  23  13.974  -1.318  10.705
  184    HD1  TYR  23           HD1      TYR  23  14.887   2.195  11.537
  185    HD2  TYR  23           HD2      TYR  23  16.330  -1.472   9.923
  186    HE1  TYR  23           HE1      TYR  23  17.180   3.058  11.627
  187    HE2  TYR  23           HE2      TYR  23  18.611  -0.602  10.005
  188    HH   TYR  23           HH       TYR  23  19.923   1.040  10.791
  189    H    ARG  24           H        ARG  24  11.142   0.054  10.629
  190    HA   ARG  24           HA       ARG  24  10.116  -2.076   9.020
  191   1HB   ARG  24          2HB       ARG  24   9.438  -1.230  11.456
  192   2HB   ARG  24          1HB       ARG  24   8.443  -0.047  10.648
  193   1HG   ARG  24          2HG       ARG  24   8.056  -3.012  10.260
  194   2HG   ARG  24          1HG       ARG  24   7.250  -2.063  11.472
  195   1HD   ARG  24          2HD       ARG  24   7.023  -1.188   8.620
  196   2HD   ARG  24          1HD       ARG  24   6.018  -2.470   9.261
  197    HE   ARG  24           HE       ARG  24   6.081   0.348  10.261
  198   1HH1  ARG  24          2HH1      ARG  24   5.187  -2.275  11.672
  199   2HH1  ARG  24          1HH1      ARG  24   3.463  -2.112  11.609
  200   1HH2  ARG  24          1HH2      ARG  24   3.775   0.498   9.255
  201   2HH2  ARG  24          2HH2      ARG  24   2.612  -0.429  10.134
  202    H    LEU  25           H        LEU  25   8.922   1.388   9.003
  203    HA   LEU  25           HA       LEU  25   7.426   0.886   6.630
  204   1HB   LEU  25          2HB       LEU  25   8.116   3.231   8.333
  205   2HB   LEU  25          1HB       LEU  25   7.173   3.407   6.918
  206    HG   LEU  25           HG       LEU  25   6.063   1.231   8.421
  207   1HD1  LEU  25          1HD1      LEU  25   6.671   3.609  10.235
  208   2HD1  LEU  25          3HD1      LEU  25   5.635   2.252  10.652
  209   3HD1  LEU  25          2HD1      LEU  25   7.343   1.995  10.398
  210   1HD2  LEU  25          3HD2      LEU  25   5.117   4.134   8.263
  211   2HD2  LEU  25          2HD2      LEU  25   4.718   2.876   7.105
  212   3HD2  LEU  25          1HD2      LEU  25   4.099   2.790   8.745
  213    H    SER  26           H        SER  26  10.727   1.634   6.768
  214    HA   SER  26           HA       SER  26  10.462   2.745   3.970
  215   1HB   SER  26          2HB       SER  26  12.660   3.476   5.950
  216   2HB   SER  26          1HB       SER  26  12.388   4.151   4.346
  217    HG   SER  26           HG       SER  26  10.886   5.375   5.278
  218    H    PHE  27           H        PHE  27  12.612   1.107   6.132
  219    HA   PHE  27           HA       PHE  27  14.214   0.090   3.914
  220   1HB   PHE  27          2HB       PHE  27  14.378  -0.497   6.864
  221   2HB   PHE  27          1HB       PHE  27  15.487  -1.083   5.677
  222    HD1  PHE  27           HD1      PHE  27  14.158   2.130   7.100
  223    HD2  PHE  27           HD2      PHE  27  17.337   0.349   4.926
  224    HE1  PHE  27           HE1      PHE  27  15.401   4.226   7.238
  225    HE2  PHE  27           HE2      PHE  27  18.592   2.445   5.067
  226    HZ   PHE  27           HZ       PHE  27  17.634   4.395   6.221
  227    H    CYS  28           H        CYS  28  12.015  -1.474   6.231
  228    HA   CYS  28           HA       CYS  28  12.337  -4.002   4.796
  229   1HB   CYS  28          2HB       CYS  28  10.755  -3.588   7.306
  230   2HB   CYS  28          1HB       CYS  28  11.672  -4.914   6.865
  231    H    ARG  29           H        ARG  29  10.330  -1.699   4.129
  232    HA   ARG  29           HA       ARG  29   7.747  -2.658   4.548
  233   1HB   ARG  29          2HB       ARG  29   8.598  -1.778   1.764
  234   2HB   ARG  29          1HB       ARG  29   7.125  -1.536   2.645
  235   1HG   ARG  29          2HG       ARG  29   8.231   0.009   4.246
  236   2HG   ARG  29          1HG       ARG  29   9.717  -0.111   3.311
  237   1HD   ARG  29          2HD       ARG  29   8.393   1.879   2.640
  238   2HD   ARG  29          1HD       ARG  29   8.605   0.758   1.299
  239    HE   ARG  29           HE       ARG  29   6.137   0.659   2.993
  240   1HH1  ARG  29          2HH1      ARG  29   5.705  -1.164   1.119
  241   2HH1  ARG  29          1HH1      ARG  29   5.132  -0.395  -0.328
  242   1HH2  ARG  29          1HH2      ARG  29   6.398   2.698   0.892
  243   2HH2  ARG  29          2HH2      ARG  29   5.556   1.993  -0.460
  244    H    LYS  30           H        LYS  30  10.203  -4.236   2.770
  245    HA   LYS  30           HA       LYS  30   8.730  -5.841   0.989
  246   1HB   LYS  30          2HB       LYS  30  10.570  -7.496   1.180
  247   2HB   LYS  30          1HB       LYS  30  11.165  -5.899   0.931
  248   1HG   LYS  30          2HG       LYS  30  12.594  -6.756   2.618
  249   2HG   LYS  30          1HG       LYS  30  11.472  -5.745   3.498
  250   1HD   LYS  30          2HD       LYS  30  12.003  -7.885   4.617
  251   2HD   LYS  30          1HD       LYS  30  10.297  -7.700   4.347
  252   1HE   LYS  30          2HE       LYS  30  10.566  -9.193   2.268
  253   2HE   LYS  30          1HE       LYS  30  12.251  -9.422   2.727
  254   1HZ   LYS  30          2HZ       LYS  30  10.606  -9.914   4.958
  255   2HZ   LYS  30          1HZ       LYS  30   9.992 -10.779   3.635
  256   3HZ   LYS  30          3HZ       LYS  30  11.600 -11.009   4.123
  257    H    THR  31           H        THR  31   8.708  -5.933   4.404
  258    HA   THR  31           HA       THR  31   6.466  -7.583   4.618
  259    HB   THR  31           HB       THR  31   8.810  -9.230   4.009
  260    HG1  THR  31           HG1      THR  31   6.941  -9.150   2.876
  261   1HG2  THR  31          1HG2      THR  31   6.846 -10.238   6.137
  262   2HG2  THR  31          3HG2      THR  31   8.106 -11.195   5.380
  263   3HG2  THR  31          2HG2      THR  31   8.535  -9.917   6.507
  264    H    CYS  32           H        CYS  32   9.600  -6.964   6.015
  265    HA   CYS  32           HA       CYS  32   8.628  -7.530   8.760
  266   1HB   CYS  32          2HB       CYS  32  11.101  -6.764   7.544
  267   2HB   CYS  32          1HB       CYS  32  10.724  -5.576   8.727
  268    H    GLY  33           H        GLY  33   8.921  -5.156   6.538
  269   1HA   GLY  33          2HA       GLY  33   8.198  -2.893   8.067
  270   2HA   GLY  33          1HA       GLY  33   8.603  -2.951   6.383
  271    H    THR  34           H        THR  34   6.195  -5.024   6.482
  272    HA   THR  34           HA       THR  34   3.802  -4.776   6.767
  273    HB   THR  34           HB       THR  34   4.327  -2.021   5.783
  274    HG1  THR  34           HG1      THR  34   4.726  -1.867   7.833
  275   1HG2  THR  34          1HG2      THR  34   1.758  -3.230   6.976
  276   2HG2  THR  34          3HG2      THR  34   1.960  -1.542   6.541
  277   3HG2  THR  34          2HG2      THR  34   1.924  -2.773   5.276
  278    H    CYS  35           H        CYS  35   3.783  -6.295   5.241
  279    HA   CYS  35           HA       CYS  35   3.209  -5.417   2.440
  280   1HB   CYS  35          2HB       CYS  35   4.566  -7.905   3.472
  281   2HB   CYS  35          1HB       CYS  35   3.723  -7.909   1.962
   
  No H/Q in entry =         281
  Start of MODEL    6
    1   1H    ARG   1          3H        ARG   1   2.163  -2.244  -1.025
    2   2H    ARG   1          2H        ARG   1   1.603  -0.651  -0.968
    3   3H    ARG   1          1H        ARG   1   0.509  -1.945  -1.021
    4    HA   ARG   1           HA       ARG   1   0.457  -1.903  -3.204
    5   1HB   ARG   1          2HB       ARG   1   2.488   0.350  -2.907
    6   2HB   ARG   1          1HB       ARG   1   1.725  -0.087  -4.419
    7   1HG   ARG   1          2HG       ARG   1  -0.517   0.369  -3.467
    8   2HG   ARG   1          1HG       ARG   1   0.209   0.782  -1.923
    9   1HD   ARG   1          2HD       ARG   1  -0.319   2.802  -3.370
   10   2HD   ARG   1          1HD       ARG   1   1.393   2.704  -2.974
   11    HE   ARG   1           HE       ARG   1   1.691   1.641  -5.261
   12   1HH1  ARG   1          1HH2      ARG   1   0.020   1.178  -6.960
   13   2HH1  ARG   1          2HH2      ARG   1  -0.770   2.596  -7.567
   14   1HH2  ARG   1          1HH1      ARG   1   0.296   4.494  -4.816
   15   2HH2  ARG   1          2HH1      ARG   1  -0.616   4.567  -6.291
   16    H    SER   2           H        SER   2   3.650  -2.374  -1.873
   17    HA   SER   2           HA       SER   2   4.204  -4.396  -3.830
   18   1HB   SER   2          2HB       SER   2   4.634  -2.283  -5.254
   19   2HB   SER   2          1HB       SER   2   5.948  -1.893  -4.130
   20    HG   SER   2           HG       SER   2   7.061  -3.300  -5.269
   21    H    CYS   3           H        CYS   3   5.493  -5.747  -2.836
   22    HA   CYS   3           HA       CYS   3   6.640  -5.048  -0.258
   23   1HB   CYS   3          2HB       CYS   3   7.015  -7.603  -1.830
   24   2HB   CYS   3          1HB       CYS   3   7.262  -7.398  -0.135
   25    H    ILE   4           H        ILE   4   8.440  -3.687  -0.431
   26    HA   ILE   4           HA       ILE   4  10.843  -4.955  -1.472
   27    HB   ILE   4           HB       ILE   4  11.459  -2.920  -2.926
   28   1HG1  ILE   4          2HG1      ILE   4   8.749  -1.808  -2.027
   29   2HG1  ILE   4          1HG1      ILE   4  10.291  -1.236  -1.438
   30   1HG2  ILE   4          2HG2      ILE   4  10.004  -4.670  -4.020
   31   2HG2  ILE   4          1HG2      ILE   4   8.583  -3.754  -3.561
   32   3HG2  ILE   4          3HG2      ILE   4   9.732  -3.079  -4.700
   33   1HD1  ILE   4          2HD1      ILE   4  10.955  -0.533  -3.722
   34   2HD1  ILE   4          1HD1      ILE   4   9.387  -1.050  -4.343
   35   3HD1  ILE   4          3HD1      ILE   4   9.480   0.261  -3.188
   36    H    ASP   5           H        ASP   5  12.696  -4.133  -0.900
   37    HA   ASP   5           HA       ASP   5  12.674  -2.325   1.437
   38   1HB   ASP   5          2HB       ASP   5  13.994  -3.767   2.615
   39   2HB   ASP   5          1HB       ASP   5  12.561  -4.558   2.065
   40    H    THR   6           H        THR   6  14.658  -1.437   2.142
   41    HA   THR   6           HA       THR   6  16.602  -0.842  -0.024
   42    HB   THR   6           HB       THR   6  17.447   0.817   1.842
   43    HG1  THR   6           HG1      THR   6  16.320   0.777   3.696
   44   1HG2  THR   6          3HG2      THR   6  15.608   1.530   0.165
   45   2HG2  THR   6          2HG2      THR   6  14.415   0.921   1.300
   46   3HG2  THR   6          1HG2      THR   6  15.422   2.290   1.734
   47    H    ILE   7           H        ILE   7  16.115  -2.438   2.891
   48    HA   ILE   7           HA       ILE   7  18.418  -4.233   2.790
   49    HB   ILE   7           HB       ILE   7  18.940  -3.882   5.187
   50   1HG1  ILE   7          2HG1      ILE   7  18.145  -1.550   6.061
   51   2HG1  ILE   7          1HG1      ILE   7  16.878  -1.800   4.871
   52   1HG2  ILE   7          2HG2      ILE   7  20.276  -2.659   3.471
   53   2HG2  ILE   7          1HG2      ILE   7  19.152  -1.320   3.535
   54   3HG2  ILE   7          3HG2      ILE   7  20.144  -1.692   4.925
   55   1HD1  ILE   7          3HD1      ILE   7  17.367  -3.813   7.126
   56   2HD1  ILE   7          2HD1      ILE   7  16.190  -2.522   7.218
   57   3HD1  ILE   7          1HD1      ILE   7  16.015  -3.801   6.076
   58    HA   PRO   8           HA       PRO   8  14.545  -6.027   4.443
   59   1HB   PRO   8          2HB       PRO   8  14.878  -8.619   3.723
   60   2HB   PRO   8          1HB       PRO   8  15.207  -7.409   2.509
   61   1HG   PRO   8          2HG       PRO   8  17.263  -8.908   4.083
   62   2HG   PRO   8          1HG       PRO   8  17.266  -8.410   2.393
   63   1HD   PRO   8          2HD       PRO   8  18.192  -6.971   4.731
   64   2HD   PRO   8          1HD       PRO   8  18.417  -6.487   3.032
   65    H    LYS   9           H        LYS   9  15.106  -8.627   5.428
   66    HA   LYS   9           HA       LYS   9  15.019  -8.463   8.108
   67   1HB   LYS   9          2HB       LYS   9  14.906 -10.346   6.364
   68   2HB   LYS   9          1HB       LYS   9  16.620 -10.473   6.651
   69   1HG   LYS   9          2HG       LYS   9  16.415 -11.228   8.863
   70   2HG   LYS   9          1HG       LYS   9  14.954 -10.333   9.169
   71   1HD   LYS   9          2HD       LYS   9  14.065 -12.221   7.310
   72   2HD   LYS   9          1HD       LYS   9  15.307 -13.117   8.163
   73   1HE   LYS   9          2HE       LYS   9  13.074 -13.326   9.279
   74   2HE   LYS   9          1HE       LYS   9  14.247 -12.552  10.344
   75   1HZ   LYS   9          3HZ       LYS   9  13.031 -10.559   8.773
   76   2HZ   LYS   9          2HZ       LYS   9  11.805 -11.529   9.424
   77   3HZ   LYS   9          1HZ       LYS   9  12.923 -10.772  10.447
   78    H    SER  10           H        SER  10  17.812  -8.397   6.094
   79    HA   SER  10           HA       SER  10  19.916  -8.908   7.822
   80   1HB   SER  10          2HB       SER  10  19.922  -6.603   5.818
   81   2HB   SER  10          1HB       SER  10  21.260  -7.700   6.217
   82    HG   SER  10           HG       SER  10  20.407  -9.128   4.897
   83    H    ARG  11           H        ARG  11  18.147  -5.869   7.684
   84    HA   ARG  11           HA       ARG  11  19.525  -5.251  10.283
   85   1HB   ARG  11          2HB       ARG  11  18.885  -3.209   8.055
   86   2HB   ARG  11          1HB       ARG  11  19.648  -2.931   9.601
   87   1HG   ARG  11          2HG       ARG  11  21.539  -4.430   8.924
   88   2HG   ARG  11          1HG       ARG  11  20.766  -4.671   7.384
   89   1HD   ARG  11          2HD       ARG  11  22.469  -2.886   7.123
   90   2HD   ARG  11          1HD       ARG  11  20.884  -2.159   6.941
   91    HE   ARG  11           HE       ARG  11  21.372  -1.823   9.632
   92   1HH1  ARG  11          1HH2      ARG  11  24.206  -2.050   8.357
   93   2HH1  ARG  11          2HH2      ARG  11  24.666  -0.384   8.307
   94   1HH2  ARG  11          2HH1      ARG  11  21.354   0.650   8.945
   95   2HH2  ARG  11          1HH1      ARG  11  22.962   1.227   8.676
   96    H    CYS  12           H        CYS  12  17.067  -6.557   9.348
   97    HA   CYS  12           HA       CYS  12  15.064  -5.078  10.913
   98   1HB   CYS  12          2HB       CYS  12  14.835  -5.977   8.184
   99   2HB   CYS  12          1HB       CYS  12  13.655  -6.588   9.277
  100    H    THR  13           H        THR  13  14.748  -6.294  12.617
  101    HA   THR  13           HA       THR  13  14.103  -9.159  12.304
  102    HB   THR  13           HB       THR  13  15.688  -9.515  14.329
  103    HG1  THR  13           HG1      THR  13  16.925  -7.196  14.062
  104   1HG2  THR  13          1HG2      THR  13  16.493  -9.476  11.785
  105   2HG2  THR  13          3HG2      THR  13  16.962  -7.830  12.032
  106   3HG2  THR  13          2HG2      THR  13  17.782  -9.089  12.915
  107    H    ALA  14           H        ALA  14  12.763  -9.719  14.409
  108    HA   ALA  14           HA       ALA  14  10.735  -7.805  14.594
  109   1HB   ALA  14          1HB       ALA  14  11.636  -9.771  16.799
  110   2HB   ALA  14          3HB       ALA  14  10.063  -8.992  16.757
  111   3HB   ALA  14          2HB       ALA  14  10.493 -10.160  15.519
  112    H    PHE  15           H        PHE  15  13.788  -7.558  16.005
  113    HA   PHE  15           HA       PHE  15  12.847  -5.633  18.048
  114   1HB   PHE  15          2HB       PHE  15  14.899  -7.083  18.440
  115   2HB   PHE  15          1HB       PHE  15  15.702  -6.313  17.088
  116    HD1  PHE  15           HD2      PHE  15  16.460  -3.958  17.260
  117    HD2  PHE  15           HD1      PHE  15  14.588  -5.899  20.566
  118    HE1  PHE  15           HE2      PHE  15  17.254  -2.188  18.755
  119    HE2  PHE  15           HE1      PHE  15  15.389  -4.125  22.054
  120    HZ   PHE  15           HZ       PHE  15  16.723  -2.266  21.150
  121    H    GLN  16           H        GLN  16  14.675  -5.538  15.026
  122    HA   GLN  16           HA       GLN  16  14.635  -2.599  14.994
  123   1HB   GLN  16          2HB       GLN  16  15.218  -4.454  12.694
  124   2HB   GLN  16          1HB       GLN  16  15.687  -2.783  12.811
  125   1HG   GLN  16          2HG       GLN  16  16.655  -4.978  14.694
  126   2HG   GLN  16          1HG       GLN  16  17.508  -4.387  13.284
  127   1HE2  GLN  16          2HE2      GLN  16  19.004  -2.489  16.007
  128   2HE2  GLN  16          1HE2      GLN  16  19.085  -4.039  15.323
  129    H    CYS  17           H        CYS  17  12.673  -5.072  13.687
  130    HA   CYS  17           HA       CYS  17  11.262  -3.364  11.808
  131   1HB   CYS  17          2HB       CYS  17  10.487  -6.101  12.942
  132   2HB   CYS  17          1HB       CYS  17   9.764  -5.344  11.553
  133    H    LYS  18           H        LYS  18  10.778  -4.314  15.212
  134    HA   LYS  18           HA       LYS  18   8.132  -2.997  15.108
  135   1HB   LYS  18          2HB       LYS  18   9.562  -4.741  17.131
  136   2HB   LYS  18          1HB       LYS  18   8.212  -3.765  17.580
  137   1HG   LYS  18          2HG       LYS  18   7.460  -6.052  17.025
  138   2HG   LYS  18          1HG       LYS  18   6.755  -4.900  15.915
  139   1HD   LYS  18          2HD       LYS  18   8.360  -5.500  14.168
  140   2HD   LYS  18          1HD       LYS  18   9.243  -6.520  15.294
  141   1HE   LYS  18          2HE       LYS  18   7.216  -7.972  15.537
  142   2HE   LYS  18          1HE       LYS  18   6.361  -6.943  14.397
  143   1HZ   LYS  18          1HZ       LYS  18   8.791  -7.691  13.224
  144   2HZ   LYS  18          3HZ       LYS  18   8.048  -9.090  13.845
  145   3HZ   LYS  18          2HZ       LYS  18   7.223  -8.094  12.747
  146    H    HIS  19           H        HIS  19  11.404  -2.501  16.464
  147    HA   HIS  19           HA       HIS  19  10.456  -0.189  17.953
  148   1HB   HIS  19          2HB       HIS  19  13.218  -1.417  17.659
  149   2HB   HIS  19          1HB       HIS  19  12.669  -0.241  18.845
  150    HD1  HIS  19           HD1      HIS  19  10.076  -2.320  18.541
  151    HD2  HIS  19           HD2      HIS  19  13.734  -2.648  20.298
  152    HE1  HIS  19           HE1      HIS  19   9.901  -4.087  20.141
  153    H    SER  20           H        SER  20  12.841  -0.747  15.270
  154    HA   SER  20           HA       SER  20  13.122   2.141  15.020
  155   1HB   SER  20          2HB       SER  20  14.231  -0.249  13.408
  156   2HB   SER  20          1HB       SER  20  14.814   1.426  13.327
  157    HG   SER  20           HG       SER  20  15.611  -0.343  15.065
  158    H    MET  21           H        MET  21  10.870   2.544  14.701
  159    HA   MET  21           HA       MET  21   9.069   1.550  12.856
  160   1HB   MET  21          2HB       MET  21   7.970   3.739  12.869
  161   2HB   MET  21          1HB       MET  21   8.571   3.397  14.471
  162   1HG   MET  21          2HG       MET  21   9.808   5.265  12.417
  163   2HG   MET  21          1HG       MET  21   9.065   5.706  13.914
  164   1HE   MET  21          1HE       MET  21   9.992   5.850  16.063
  165   2HE   MET  21          3HE       MET  21  10.330   4.119  16.294
  166   3HE   MET  21          2HE       MET  21  11.573   5.327  16.582
  167    H    LYS  22           H        LYS  22  11.626   3.838  12.055
  168    HA   LYS  22           HA       LYS  22  10.713   4.094   9.307
  169   1HB   LYS  22          2HB       LYS  22  12.288   5.791  10.410
  170   2HB   LYS  22          1HB       LYS  22  13.534   4.551  10.474
  171   1HG   LYS  22          2HG       LYS  22  13.404   4.365   7.945
  172   2HG   LYS  22          1HG       LYS  22  12.271   5.705   7.958
  173   1HD   LYS  22          2HD       LYS  22  14.002   7.157   8.972
  174   2HD   LYS  22          1HD       LYS  22  15.117   5.796   9.037
  175   1HE   LYS  22          2HE       LYS  22  14.869   5.559   6.523
  176   2HE   LYS  22          1HE       LYS  22  13.926   7.041   6.521
  177   1HZ   LYS  22          1HZ       LYS  22  16.690   6.752   6.505
  178   2HZ   LYS  22          3HZ       LYS  22  15.789   8.189   6.503
  179   3HZ   LYS  22          2HZ       LYS  22  16.279   7.500   7.970
  180    H    TYR  23           H        TYR  23  12.711   1.908  10.988
  181    HA   TYR  23           HA       TYR  23  13.872   0.669   8.642
  182   1HB   TYR  23          2HB       TYR  23  13.717   0.106  11.558
  183   2HB   TYR  23          1HB       TYR  23  13.777  -1.349  10.674
  184    HD1  TYR  23           HD1      TYR  23  15.563   2.019  11.018
  185    HD2  TYR  23           HD2      TYR  23  15.716  -2.003   9.647
  186    HE1  TYR  23           HE1      TYR  23  17.966   2.262  10.509
  187    HE2  TYR  23           HE2      TYR  23  18.051  -1.753   9.154
  188    HH   TYR  23           HH       TYR  23  19.882  -0.529   9.331
  189    H    ARG  24           H        ARG  24  10.971   0.349  10.469
  190    HA   ARG  24           HA       ARG  24  10.091  -1.951   8.823
  191   1HB   ARG  24          2HB       ARG  24   9.486  -1.280  11.391
  192   2HB   ARG  24          1HB       ARG  24   8.325  -0.224  10.654
  193   1HG   ARG  24          2HG       ARG  24   8.362  -3.095   9.851
  194   2HG   ARG  24          1HG       ARG  24   7.630  -2.653  11.357
  195   1HD   ARG  24          2HD       ARG  24   6.799  -1.314   8.740
  196   2HD   ARG  24          1HD       ARG  24   5.953  -2.657   9.493
  197    HE   ARG  24           HE       ARG  24   5.899   0.101  10.323
  198   1HH1  ARG  24          1HH2      ARG  24   6.977  -0.556  12.708
  199   2HH1  ARG  24          2HH2      ARG  24   5.782  -1.339  13.673
  200   1HH2  ARG  24          2HH1      ARG  24   3.879  -1.982  10.725
  201   2HH2  ARG  24          1HH1      ARG  24   3.853  -2.215  12.441
  202    H    LEU  25           H        LEU  25   8.656   1.382   9.284
  203    HA   LEU  25           HA       LEU  25   7.114   1.121   6.911
  204   1HB   LEU  25          2HB       LEU  25   7.706   3.266   8.901
  205   2HB   LEU  25          1HB       LEU  25   6.711   3.475   7.515
  206    HG   LEU  25           HG       LEU  25   5.923   1.037   8.853
  207   1HD1  LEU  25          3HD1      LEU  25   6.128   3.429  10.761
  208   2HD1  LEU  25          2HD1      LEU  25   5.348   1.899  11.134
  209   3HD1  LEU  25          1HD1      LEU  25   7.075   1.954  10.868
  210   1HD2  LEU  25          2HD2      LEU  25   4.494   3.734   8.774
  211   2HD2  LEU  25          1HD2      LEU  25   4.365   2.465   7.564
  212   3HD2  LEU  25          3HD2      LEU  25   3.743   2.199   9.181
  213    H    SER  26           H        SER  26  10.122   1.399   6.767
  214    HA   SER  26           HA       SER  26   9.990   3.119   4.335
  215   1HB   SER  26          2HB       SER  26  10.747   4.472   6.532
  216   2HB   SER  26          1HB       SER  26  12.319   3.738   6.172
  217    HG   SER  26           HG       SER  26  11.174   5.754   4.873
  218    H    PHE  27           H        PHE  27  12.372   1.369   6.352
  219    HA   PHE  27           HA       PHE  27  13.829   0.699   3.882
  220   1HB   PHE  27          2HB       PHE  27  14.199  -0.382   6.685
  221   2HB   PHE  27          1HB       PHE  27  15.164  -0.817   5.308
  222    HD1  PHE  27           HD1      PHE  27  14.548   2.556   4.569
  223    HD2  PHE  27           HD2      PHE  27  16.672   0.189   7.411
  224    HE1  PHE  27           HE1      PHE  27  16.057   4.412   4.990
  225    HE2  PHE  27           HE2      PHE  27  18.194   2.084   7.834
  226    HZ   PHE  27           HZ       PHE  27  17.886   4.200   6.624
  227    H    CYS  28           H        CYS  28  12.099  -1.343   6.229
  228    HA   CYS  28           HA       CYS  28  12.262  -3.535   4.312
  229   1HB   CYS  28          2HB       CYS  28  11.096  -3.276   7.029
  230   2HB   CYS  28          1HB       CYS  28  11.418  -4.738   6.381
  231    H    ARG  29           H        ARG  29  10.344  -1.438   3.550
  232    HA   ARG  29           HA       ARG  29   7.671  -2.231   3.981
  233   1HB   ARG  29          2HB       ARG  29   8.852  -1.296   1.349
  234   2HB   ARG  29          1HB       ARG  29   7.219  -1.201   1.895
  235   1HG   ARG  29          2HG       ARG  29   9.538   0.374   3.100
  236   2HG   ARG  29          1HG       ARG  29   8.240   0.982   2.100
  237   1HD   ARG  29          2HD       ARG  29   7.913  -0.199   4.879
  238   2HD   ARG  29          1HD       ARG  29   7.585   1.454   4.364
  239    HE   ARG  29           HE       ARG  29   5.895  -0.876   3.931
  240   1HH1  ARG  29          2HH1      ARG  29   6.056   2.428   3.837
  241   2HH1  ARG  29          1HH1      ARG  29   4.844   2.651   2.622
  242   1HH2  ARG  29          1HH2      ARG  29   4.694  -0.852   2.072
  243   2HH2  ARG  29          2HH2      ARG  29   4.014   0.634   1.498
  244    H    LYS  30           H        LYS  30  10.132  -4.176   2.740
  245    HA   LYS  30           HA       LYS  30   8.617  -5.613   0.774
  246   1HB   LYS  30          2HB       LYS  30  10.453  -7.261   0.915
  247   2HB   LYS  30          1HB       LYS  30  11.090  -5.670   0.728
  248   1HG   LYS  30          2HG       LYS  30  12.480  -6.638   2.302
  249   2HG   LYS  30          1HG       LYS  30  11.410  -5.640   3.270
  250   1HD   LYS  30          2HD       LYS  30  10.284  -7.449   4.175
  251   2HD   LYS  30          1HD       LYS  30  10.518  -8.464   2.752
  252   1HE   LYS  30          2HE       LYS  30  12.871  -8.801   3.450
  253   2HE   LYS  30          1HE       LYS  30  12.600  -7.828   4.898
  254   1HZ   LYS  30          1HZ       LYS  30  10.588  -9.776   4.737
  255   2HZ   LYS  30          3HZ       LYS  30  12.070 -10.560   4.512
  256   3HZ   LYS  30          2HZ       LYS  30  11.806  -9.624   5.906
  257    H    THR  31           H        THR  31   8.782  -5.672   4.273
  258    HA   THR  31           HA       THR  31   6.409  -7.212   4.339
  259    HB   THR  31           HB       THR  31   8.775  -8.900   3.919
  260    HG1  THR  31           HG1      THR  31   6.829  -8.871   2.780
  261   1HG2  THR  31          2HG2      THR  31   6.796  -9.837   6.047
  262   2HG2  THR  31          1HG2      THR  31   8.085 -10.807   5.357
  263   3HG2  THR  31          3HG2      THR  31   8.477  -9.471   6.430
  264    H    CYS  32           H        CYS  32   9.425  -6.874   5.984
  265    HA   CYS  32           HA       CYS  32   8.204  -7.233   8.617
  266   1HB   CYS  32          2HB       CYS  32  10.784  -6.491   7.537
  267   2HB   CYS  32          1HB       CYS  32  10.331  -5.346   8.754
  268    H    GLY  33           H        GLY  33   8.932  -4.858   6.415
  269   1HA   GLY  33          2HA       GLY  33   8.093  -2.556   7.812
  270   2HA   GLY  33          1HA       GLY  33   8.594  -2.621   6.168
  271    H    THR  34           H        THR  34   6.188  -4.537   5.776
  272    HA   THR  34           HA       THR  34   3.831  -4.342   5.674
  273    HB   THR  34           HB       THR  34   4.383  -1.421   5.555
  274    HG1  THR  34           HG1      THR  34   4.707  -1.867   7.593
  275   1HG2  THR  34          1HG2      THR  34   2.033  -2.083   4.702
  276   2HG2  THR  34          3HG2      THR  34   1.757  -2.908   6.242
  277   3HG2  THR  34          2HG2      THR  34   1.935  -1.160   6.201
  278    H    CYS  35           H        CYS  35   4.063  -5.268   3.740
  279    HA   CYS  35           HA       CYS  35   5.118  -4.430   1.307
  280   1HB   CYS  35          2HB       CYS  35   2.631  -6.031   1.824
  281   2HB   CYS  35          1HB       CYS  35   3.211  -5.719   0.224
   
  No H/Q in entry =         281
  Start of MODEL    7
    1   1H    ARG   1          3H        ARG   1  -1.832  -5.035  -0.919
    2   2H    ARG   1          2H        ARG   1  -2.838  -3.798  -1.499
    3   3H    ARG   1          1H        ARG   1  -2.229  -4.971  -2.569
    4    HA   ARG   1           HA       ARG   1  -0.429  -3.772  -2.951
    5   1HB   ARG   1          2HB       ARG   1  -1.569  -1.900  -0.817
    6   2HB   ARG   1          1HB       ARG   1  -0.303  -1.451  -1.938
    7   1HG   ARG   1          2HG       ARG   1  -1.812  -1.770  -3.857
    8   2HG   ARG   1          1HG       ARG   1  -3.098  -2.339  -2.810
    9   1HD   ARG   1          2HD       ARG   1  -3.482   0.045  -3.334
   10   2HD   ARG   1          1HD       ARG   1  -3.012  -0.066  -1.642
   11    HE   ARG   1           HE       ARG   1  -0.825   0.792  -2.218
   12   1HH1  ARG   1          1HH1      ARG   1   0.289   0.259  -4.479
   13   2HH1  ARG   1          2HH1      ARG   1  -0.240   1.377  -5.698
   14   1HH2  ARG   1          1HH2      ARG   1  -3.015   2.339  -3.774
   15   2HH2  ARG   1          2HH2      ARG   1  -2.200   2.617  -5.278
   16    H    SER   2           H        SER   2   1.722  -3.201  -2.038
   17    HA   SER   2           HA       SER   2   2.344  -3.649   0.733
   18   1HB   SER   2          2HB       SER   2   3.740  -5.807   0.240
   19   2HB   SER   2          1HB       SER   2   1.987  -6.046   0.266
   20    HG   SER   2           HG       SER   2   2.861  -5.149  -2.153
   21    H    CYS   3           H        CYS   3   4.626  -3.346   1.098
   22    HA   CYS   3           HA       CYS   3   5.911  -1.868  -1.134
   23   1HB   CYS   3          2HB       CYS   3   6.395  -1.877   1.838
   24   2HB   CYS   3          1HB       CYS   3   7.060  -0.719   0.706
   25    H    ILE   4           H        ILE   4   8.598  -1.907  -0.535
   26    HA   ILE   4           HA       ILE   4   9.445  -4.753  -0.352
   27    HB   ILE   4           HB       ILE   4  10.919  -4.460  -2.335
   28   1HG1  ILE   4          2HG1      ILE   4   9.692  -1.685  -2.769
   29   2HG1  ILE   4          1HG1      ILE   4  11.218  -1.885  -1.938
   30   1HG2  ILE   4          1HG2      ILE   4   8.597  -5.230  -2.731
   31   2HG2  ILE   4          3HG2      ILE   4   8.063  -3.576  -2.936
   32   3HG2  ILE   4          2HG2      ILE   4   9.174  -4.289  -4.091
   33   1HD1  ILE   4          2HD1      ILE   4  10.682  -2.856  -4.781
   34   2HD1  ILE   4          1HD1      ILE   4  11.598  -1.431  -4.332
   35   3HD1  ILE   4          3HD1      ILE   4  12.193  -3.023  -3.901
   36    H    ASP   5           H        ASP   5  12.094  -4.410  -0.726
   37    HA   ASP   5           HA       ASP   5  12.820  -2.538   1.463
   38   1HB   ASP   5          2HB       ASP   5  14.388  -4.026   2.255
   39   2HB   ASP   5          1HB       ASP   5  12.803  -4.691   2.218
   40    H    THR   6           H        THR   6  14.880  -1.964   1.706
   41    HA   THR   6           HA       THR   6  16.443  -1.407  -0.750
   42    HB   THR   6           HB       THR   6  17.590   0.210   0.966
   43    HG1  THR   6           HG1      THR   6  17.152  -0.223   2.963
   44   1HG2  THR   6          1HG2      THR   6  14.510   0.302   1.096
   45   2HG2  THR   6          3HG2      THR   6  15.597   1.642   1.413
   46   3HG2  THR   6          2HG2      THR   6  15.442   1.003  -0.219
   47    H    ILE   7           H        ILE   7  16.413  -2.566   2.429
   48    HA   ILE   7           HA       ILE   7  18.270  -4.800   2.098
   49    HB   ILE   7           HB       ILE   7  19.472  -4.205   4.151
   50   1HG1  ILE   7          2HG1      ILE   7  19.038  -1.660   4.837
   51   2HG1  ILE   7          1HG1      ILE   7  17.467  -2.044   4.155
   52   1HG2  ILE   7          1HG2      ILE   7  20.363  -3.272   2.021
   53   2HG2  ILE   7          3HG2      ILE   7  19.387  -1.831   2.251
   54   3HG2  ILE   7          2HG2      ILE   7  20.691  -2.189   3.366
   55   1HD1  ILE   7          2HD1      ILE   7  18.688  -3.736   6.349
   56   2HD1  ILE   7          1HD1      ILE   7  17.556  -2.425   6.666
   57   3HD1  ILE   7          3HD1      ILE   7  17.055  -3.821   5.781
   58    HA   PRO   8           HA       PRO   8  14.640  -5.717   4.731
   59   1HB   PRO   8          2HB       PRO   8  14.359  -8.264   4.222
   60   2HB   PRO   8          1HB       PRO   8  14.754  -7.260   2.856
   61   1HG   PRO   8          2HG       PRO   8  16.767  -8.986   4.273
   62   2HG   PRO   8          1HG       PRO   8  16.492  -8.762   2.551
   63   1HD   PRO   8          2HD       PRO   8  18.170  -7.203   4.292
   64   2HD   PRO   8          1HD       PRO   8  17.951  -6.906   2.557
   65    H    LYS   9           H        LYS   9  15.247  -8.362   5.698
   66    HA   LYS   9           HA       LYS   9  15.524  -8.137   8.387
   67   1HB   LYS   9          2HB       LYS   9  14.935 -10.090   6.859
   68   2HB   LYS   9          1HB       LYS   9  16.660 -10.333   6.695
   69   1HG   LYS   9          2HG       LYS   9  16.980 -10.775   9.053
   70   2HG   LYS   9          1HG       LYS   9  15.388 -10.169   9.460
   71   1HD   LYS   9          2HD       LYS   9  14.308 -12.065   8.343
   72   2HD   LYS   9          1HD       LYS   9  15.876 -12.704   7.854
   73   1HE   LYS   9          2HE       LYS   9  16.530 -13.043  10.173
   74   2HE   LYS   9          1HE       LYS   9  15.120 -12.178  10.771
   75   1HZ   LYS   9          2HZ       LYS   9  14.257 -14.245   9.063
   76   2HZ   LYS   9          1HZ       LYS   9  15.356 -14.888  10.183
   77   3HZ   LYS   9          3HZ       LYS   9  13.985 -14.056  10.725
   78    H    SER  10           H        SER  10  17.994  -7.841   5.973
   79    HA   SER  10           HA       SER  10  20.261  -8.685   7.505
   80   1HB   SER  10          2HB       SER  10  21.580  -6.991   6.023
   81   2HB   SER  10          1HB       SER  10  20.593  -8.137   5.105
   82    HG   SER  10           HG       SER  10  20.350  -5.489   5.213
   83    H    ARG  11           H        ARG  11  18.383  -5.820   7.784
   84    HA   ARG  11           HA       ARG  11  19.988  -5.104  10.177
   85   1HB   ARG  11          2HB       ARG  11  18.925  -3.021   8.229
   86   2HB   ARG  11          1HB       ARG  11  20.032  -2.847   9.545
   87   1HG   ARG  11          2HG       ARG  11  21.830  -4.002   8.411
   88   2HG   ARG  11          1HG       ARG  11  20.768  -4.563   7.149
   89   1HD   ARG  11          2HD       ARG  11  22.006  -2.681   6.252
   90   2HD   ARG  11          1HD       ARG  11  20.329  -2.191   6.471
   91    HE   ARG  11           HE       ARG  11  22.070  -1.598   8.773
   92   1HH1  ARG  11          2HH1      ARG  11  21.324  -0.533   5.653
   93   2HH1  ARG  11          1HH1      ARG  11  21.248   1.155   6.054
   94   1HH2  ARG  11          1HH2      ARG  11  21.736   0.452   9.469
   95   2HH2  ARG  11          2HH2      ARG  11  21.512   1.742   8.341
   96    H    CYS  12           H        CYS  12  17.628  -6.653   9.708
   97    HA   CYS  12           HA       CYS  12  15.718  -5.042  11.207
   98   1HB   CYS  12          2HB       CYS  12  15.354  -6.100   8.514
   99   2HB   CYS  12          1HB       CYS  12  14.190  -6.530   9.703
  100    H    THR  13           H        THR  13  14.972  -6.158  12.756
  101    HA   THR  13           HA       THR  13  14.606  -9.083  12.657
  102    HB   THR  13           HB       THR  13  15.948  -9.228  14.847
  103    HG1  THR  13           HG1      THR  13  17.060  -6.953  15.005
  104   1HG2  THR  13          1HG2      THR  13  17.132  -9.097  12.470
  105   2HG2  THR  13          3HG2      THR  13  17.372  -7.403  12.775
  106   3HG2  THR  13          2HG2      THR  13  18.171  -8.575  13.792
  107    H    ALA  14           H        ALA  14  12.874  -9.562  14.140
  108    HA   ALA  14           HA       ALA  14  10.708  -7.921  14.132
  109   1HB   ALA  14          3HB       ALA  14  11.564  -9.607  16.567
  110   2HB   ALA  14          2HB       ALA  14   9.930  -9.050  16.247
  111   3HB   ALA  14          1HB       ALA  14  10.673 -10.223  15.178
  112    H    PHE  15           H        PHE  15  13.343  -7.646  16.260
  113    HA   PHE  15           HA       PHE  15  12.224  -5.621  17.990
  114   1HB   PHE  15          2HB       PHE  15  14.348  -6.954  18.483
  115   2HB   PHE  15          1HB       PHE  15  15.168  -6.044  17.226
  116    HD1  PHE  15           HD2      PHE  15  15.369  -3.508  17.504
  117    HD2  PHE  15           HD1      PHE  15  14.072  -6.031  20.677
  118    HE1  PHE  15           HE2      PHE  15  15.879  -1.736  19.111
  119    HE2  PHE  15           HE1      PHE  15  14.578  -4.259  22.286
  120    HZ   PHE  15           HZ       PHE  15  15.486  -2.104  21.515
  121    H    GLN  16           H        GLN  16  14.435  -5.295  15.190
  122    HA   GLN  16           HA       GLN  16  14.050  -2.384  15.184
  123   1HB   GLN  16          2HB       GLN  16  15.032  -4.051  12.847
  124   2HB   GLN  16          1HB       GLN  16  15.332  -2.359  13.133
  125   1HG   GLN  16          2HG       GLN  16  16.378  -4.564  14.966
  126   2HG   GLN  16          1HG       GLN  16  17.300  -3.790  13.700
  127   1HE2  GLN  16          2HE2      GLN  16  18.356  -1.443  16.127
  128   2HE2  GLN  16          1HE2      GLN  16  18.825  -2.564  14.940
  129    H    CYS  17           H        CYS  17  12.591  -5.056  13.645
  130    HA   CYS  17           HA       CYS  17  11.124  -3.623  11.628
  131   1HB   CYS  17          2HB       CYS  17  10.513  -6.345  12.859
  132   2HB   CYS  17          1HB       CYS  17   9.950  -5.745  11.326
  133    H    LYS  18           H        LYS  18  10.424  -4.501  14.936
  134    HA   LYS  18           HA       LYS  18   7.651  -3.415  14.652
  135   1HB   LYS  18          2HB       LYS  18   8.444  -5.683  15.903
  136   2HB   LYS  18          1HB       LYS  18   8.709  -4.603  17.238
  137   1HG   LYS  18          2HG       LYS  18   6.083  -5.080  15.747
  138   2HG   LYS  18          1HG       LYS  18   6.462  -5.628  17.362
  139   1HD   LYS  18          2HD       LYS  18   6.604  -3.225  18.113
  140   2HD   LYS  18          1HD       LYS  18   6.139  -2.730  16.489
  141   1HE   LYS  18          2HE       LYS  18   4.019  -3.974  16.664
  142   2HE   LYS  18          1HE       LYS  18   4.430  -4.444  18.310
  143   1HZ   LYS  18          3HZ       LYS  18   4.789  -1.677  18.071
  144   2HZ   LYS  18          2HZ       LYS  18   3.269  -2.064  17.426
  145   3HZ   LYS  18          1HZ       LYS  18   3.653  -2.513  19.016
  146    H    HIS  19           H        HIS  19  10.792  -2.721  16.201
  147    HA   HIS  19           HA       HIS  19   9.644  -0.463  17.643
  148   1HB   HIS  19          2HB       HIS  19  12.485  -1.552  17.568
  149   2HB   HIS  19          1HB       HIS  19  11.779  -0.393  18.675
  150    HD1  HIS  19           HD1      HIS  19   9.344  -2.591  18.215
  151    HD2  HIS  19           HD2      HIS  19  12.829  -2.752  20.300
  152    HE1  HIS  19           HE1      HIS  19   9.085  -4.337  19.812
  153    H    SER  20           H        SER  20  12.197  -0.814  14.967
  154    HA   SER  20           HA       SER  20  12.239   2.109  14.955
  155   1HB   SER  20          2HB       SER  20  13.714  -0.065  13.420
  156   2HB   SER  20          1HB       SER  20  13.945   1.673  13.153
  157    HG   SER  20           HG       SER  20  15.117   1.626  14.945
  158    H    MET  21           H        MET  21  10.179   2.654  14.320
  159    HA   MET  21           HA       MET  21   8.613   1.633  12.240
  160   1HB   MET  21          2HB       MET  21   9.094   4.648  12.783
  161   2HB   MET  21          1HB       MET  21   7.720   3.992  11.920
  162   1HG   MET  21          2HG       MET  21   8.350   3.578  14.857
  163   2HG   MET  21          1HG       MET  21   7.105   4.585  14.179
  164   1HE   MET  21          1HE       MET  21   8.550   1.399  14.878
  165   2HE   MET  21          3HE       MET  21   7.206   0.430  15.389
  166   3HE   MET  21          2HE       MET  21   7.759   0.349  13.707
  167    H    LYS  22           H        LYS  22  10.983   4.178  11.759
  168    HA   LYS  22           HA       LYS  22  10.765   4.169   8.929
  169   1HB   LYS  22          2HB       LYS  22  13.169   5.078   8.935
  170   2HB   LYS  22          1HB       LYS  22  12.178   5.903  10.128
  171   1HG   LYS  22          2HG       LYS  22  13.066   4.206  11.871
  172   2HG   LYS  22          1HG       LYS  22  14.120   3.599  10.604
  173   1HD   LYS  22          2HD       LYS  22  15.241   5.787  10.426
  174   2HD   LYS  22          1HD       LYS  22  14.172   6.454  11.652
  175   1HE   LYS  22          2HE       LYS  22  15.006   4.792  13.302
  176   2HE   LYS  22          1HE       LYS  22  16.044   4.071  12.089
  177   1HZ   LYS  22          3HZ       LYS  22  16.540   6.844  12.180
  178   2HZ   LYS  22          2HZ       LYS  22  16.620   6.220  13.753
  179   3HZ   LYS  22          1HZ       LYS  22  17.575   5.546  12.521
  180    H    TYR  23           H        TYR  23  12.294   1.767  10.831
  181    HA   TYR  23           HA       TYR  23  13.771   0.671   8.571
  182   1HB   TYR  23          2HB       TYR  23  13.360  -0.022  11.444
  183   2HB   TYR  23          1HB       TYR  23  13.568  -1.420  10.481
  184    HD1  TYR  23           HD1      TYR  23  15.085   1.924  11.234
  185    HD2  TYR  23           HD2      TYR  23  15.801  -1.924   9.569
  186    HE1  TYR  23           HE1      TYR  23  17.476   2.438  11.055
  187    HE2  TYR  23           HE2      TYR  23  18.167  -1.400   9.401
  188    HH   TYR  23           HH       TYR  23  19.659   0.543   9.281
  189    H    ARG  24           H        ARG  24  10.684  -0.053  10.215
  190    HA   ARG  24           HA       ARG  24  10.150  -2.202   8.270
  191   1HB   ARG  24          2HB       ARG  24   8.337  -2.609   9.840
  192   2HB   ARG  24          1HB       ARG  24   9.368  -1.677  10.841
  193   1HG   ARG  24          2HG       ARG  24   7.421  -0.530  11.263
  194   2HG   ARG  24          1HG       ARG  24   7.927   0.433   9.909
  195   1HD   ARG  24          2HD       ARG  24   5.543  -0.304   9.402
  196   2HD   ARG  24          1HD       ARG  24   6.570  -1.279   8.465
  197    HE   ARG  24           HE       ARG  24   6.429  -2.461  11.026
  198   1HH1  ARG  24          2HH1      ARG  24   3.976  -1.186   9.051
  199   2HH1  ARG  24          1HH1      ARG  24   2.973  -2.571   9.105
  200   1HH2  ARG  24          1HH2      ARG  24   5.486  -4.394  10.840
  201   2HH2  ARG  24          2HH2      ARG  24   3.879  -4.544  10.197
  202    H    LEU  25           H        LEU  25   9.236   1.153   8.731
  203    HA   LEU  25           HA       LEU  25   7.529   1.348   6.424
  204   1HB   LEU  25          2HB       LEU  25   8.366   3.059   8.739
  205   2HB   LEU  25          1HB       LEU  25   7.756   3.798   7.329
  206    HG   LEU  25           HG       LEU  25   6.114   1.440   8.207
  207   1HD1  LEU  25          3HD1      LEU  25   6.852   2.290  10.468
  208   2HD1  LEU  25          2HD1      LEU  25   6.250   3.886  10.049
  209   3HD1  LEU  25          1HD1      LEU  25   5.140   2.533  10.201
  210   1HD2  LEU  25          3HD2      LEU  25   5.331   3.122   6.533
  211   2HD2  LEU  25          2HD2      LEU  25   4.253   3.006   7.899
  212   3HD2  LEU  25          1HD2      LEU  25   5.355   4.369   7.764
  213    H    SER  26           H        SER  26  10.721   1.240   6.482
  214    HA   SER  26           HA       SER  26  10.779   2.896   4.017
  215   1HB   SER  26          2HB       SER  26  11.492   4.282   6.198
  216   2HB   SER  26          1HB       SER  26  13.035   3.473   5.982
  217    HG   SER  26           HG       SER  26  12.256   4.260   3.579
  218    H    PHE  27           H        PHE  27  12.992   1.089   6.137
  219    HA   PHE  27           HA       PHE  27  14.578   0.319   3.773
  220   1HB   PHE  27          2HB       PHE  27  14.918  -0.740   6.632
  221   2HB   PHE  27          1HB       PHE  27  15.989  -0.946   5.294
  222    HD1  PHE  27           HD1      PHE  27  14.321   2.007   7.009
  223    HD2  PHE  27           HD2      PHE  27  17.871   0.429   5.280
  224    HE1  PHE  27           HE1      PHE  27  15.500   4.062   7.575
  225    HE2  PHE  27           HE2      PHE  27  19.055   2.503   5.851
  226    HZ   PHE  27           HZ       PHE  27  17.870   4.324   7.002
  227    H    CYS  28           H        CYS  28  12.730  -1.621   6.157
  228    HA   CYS  28           HA       CYS  28  12.691  -3.876   4.319
  229   1HB   CYS  28          2HB       CYS  28  11.809  -3.648   7.142
  230   2HB   CYS  28          1HB       CYS  28  12.141  -5.053   6.389
  231    H    ARG  29           H        ARG  29  10.920  -1.897   3.743
  232    HA   ARG  29           HA       ARG  29   8.224  -2.411   4.598
  233   1HB   ARG  29          2HB       ARG  29   8.632  -1.591   1.763
  234   2HB   ARG  29          1HB       ARG  29   7.722  -0.776   3.025
  235   1HG   ARG  29          2HG       ARG  29   9.906   0.051   4.012
  236   2HG   ARG  29          1HG       ARG  29  10.742  -0.586   2.594
  237   1HD   ARG  29          2HD       ARG  29  10.319   1.700   2.148
  238   2HD   ARG  29          1HD       ARG  29   9.219   0.772   1.145
  239    HE   ARG  29           HE       ARG  29   7.937   1.309   3.650
  240   1HH1  ARG  29          1HH2      ARG  29   6.884   1.627   0.940
  241   2HH1  ARG  29          2HH2      ARG  29   6.672   3.344   0.756
  242   1HH2  ARG  29          2HH1      ARG  29   8.680   3.886   3.611
  243   2HH2  ARG  29          1HH1      ARG  29   7.766   4.727   2.403
  244    H    LYS  30           H        LYS  30  10.398  -4.258   2.915
  245    HA   LYS  30           HA       LYS  30   8.734  -5.762   1.158
  246   1HB   LYS  30          2HB       LYS  30  10.506  -7.603   1.486
  247   2HB   LYS  30          1HB       LYS  30  11.104  -6.077   0.905
  248   1HG   LYS  30          2HG       LYS  30  12.656  -6.596   2.534
  249   2HG   LYS  30          1HG       LYS  30  11.579  -5.549   3.440
  250   1HD   LYS  30          2HD       LYS  30  12.362  -7.280   4.806
  251   2HD   LYS  30          1HD       LYS  30  10.664  -7.534   4.585
  252   1HE   LYS  30          2HE       LYS  30  11.009  -9.373   3.098
  253   2HE   LYS  30          1HE       LYS  30  12.696  -8.966   2.831
  254   1HZ   LYS  30          3HZ       LYS  30  12.218  -9.315   5.606
  255   2HZ   LYS  30          2HZ       LYS  30  11.635 -10.663   4.753
  256   3HZ   LYS  30          1HZ       LYS  30  13.247 -10.190   4.573
  257    H    THR  31           H        THR  31   9.271  -6.052   4.620
  258    HA   THR  31           HA       THR  31   6.829  -7.676   4.712
  259    HB   THR  31           HB       THR  31   9.406  -9.147   4.965
  260    HG1  THR  31           HG1      THR  31   7.584  -9.184   3.092
  261   1HG2  THR  31          2HG2      THR  31   6.704 -10.190   5.920
  262   2HG2  THR  31          1HG2      THR  31   8.172 -11.158   5.818
  263   3HG2  THR  31          3HG2      THR  31   8.061  -9.847   6.977
  264    H    CYS  32           H        CYS  32   9.805  -6.836   6.280
  265    HA   CYS  32           HA       CYS  32   8.841  -7.387   8.946
  266   1HB   CYS  32          2HB       CYS  32  11.051  -5.954   7.698
  267   2HB   CYS  32          1HB       CYS  32  10.633  -5.281   9.216
  268    H    GLY  33           H        GLY  33   8.606  -4.775   6.746
  269   1HA   GLY  33          2HA       GLY  33   6.859  -3.454   8.733
  270   2HA   GLY  33          1HA       GLY  33   7.957  -2.578   7.712
  271    H    THR  34           H        THR  34   7.354  -3.655   5.316
  272    HA   THR  34           HA       THR  34   5.851  -2.973   3.534
  273    HB   THR  34           HB       THR  34   5.624  -5.190   4.450
  274    HG1  THR  34           HG1      THR  34   4.336  -5.515   2.879
  275   1HG2  THR  34          3HG2      THR  34   3.166  -3.982   5.878
  276   2HG2  THR  34          2HG2      THR  34   3.328  -5.722   5.685
  277   3HG2  THR  34          1HG2      THR  34   4.467  -4.840   6.647
  278    H    CYS  35           H        CYS  35   6.169  -0.987   5.132
  279    HA   CYS  35           HA       CYS  35   5.520   1.043   5.659
  280   1HB   CYS  35          2HB       CYS  35   3.292   0.370   3.746
  281   2HB   CYS  35          1HB       CYS  35   3.889   1.909   4.294
   
  No H/Q in entry =         281
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1   3.416  -5.702  -6.311
    2   2H    ARG   1          3H        ARG   1   2.393  -6.693  -5.383
    3   3H    ARG   1          2H        ARG   1   1.762  -5.795  -6.685
    4    HA   ARG   1           HA       ARG   1   1.404  -4.047  -5.393
    5   1HB   ARG   1          2HB       ARG   1   1.292  -6.093  -3.667
    6   2HB   ARG   1          1HB       ARG   1   2.804  -5.469  -3.061
    7   1HG   ARG   1          2HG       ARG   1   1.132  -4.491  -1.654
    8   2HG   ARG   1          1HG       ARG   1   1.497  -3.169  -2.738
    9   1HD   ARG   1          2HD       ARG   1  -0.463  -3.822  -4.181
   10   2HD   ARG   1          1HD       ARG   1  -0.882  -5.020  -2.959
   11    HE   ARG   1           HE       ARG   1  -0.927  -2.071  -2.574
   12   1HH1  ARG   1          1HH1      ARG   1  -0.078  -3.622  -0.152
   13   2HH1  ARG   1          2HH1      ARG   1  -1.586  -3.889   0.655
   14   1HH2  ARG   1          1HH2      ARG   1  -3.425  -3.078  -2.209
   15   2HH2  ARG   1          2HH2      ARG   1  -3.556  -3.561  -0.550
   16    H    SER   2           H        SER   2   3.182  -3.156  -3.165
   17    HA   SER   2           HA       SER   2   5.672  -2.462  -4.655
   18   1HB   SER   2          2HB       SER   2   3.998  -0.498  -3.006
   19   2HB   SER   2          1HB       SER   2   5.443  -0.113  -3.955
   20    HG   SER   2           HG       SER   2   4.228  -0.142  -5.696
   21    H    CYS   3           H        CYS   3   5.221  -4.405  -2.581
   22    HA   CYS   3           HA       CYS   3   6.327  -3.308  -0.092
   23   1HB   CYS   3          2HB       CYS   3   5.585  -6.088  -1.040
   24   2HB   CYS   3          1HB       CYS   3   6.523  -5.901   0.401
   25    H    ILE   4           H        ILE   4   8.396  -2.497  -0.432
   26    HA   ILE   4           HA       ILE   4  10.432  -4.519  -1.123
   27    HB   ILE   4           HB       ILE   4  11.589  -2.810  -2.642
   28   1HG1  ILE   4          2HG1      ILE   4   9.111  -1.086  -2.082
   29   2HG1  ILE   4          1HG1      ILE   4  10.723  -0.756  -1.484
   30   1HG2  ILE   4          3HG2      ILE   4   9.939  -4.405  -3.656
   31   2HG2  ILE   4          2HG2      ILE   4   8.655  -3.239  -3.413
   32   3HG2  ILE   4          1HG2      ILE   4   9.957  -2.894  -4.532
   33   1HD1  ILE   4          3HD1      ILE   4  11.547  -0.502  -3.829
   34   2HD1  ILE   4          2HD1      ILE   4   9.924  -0.785  -4.448
   35   3HD1  ILE   4          1HD1      ILE   4  10.255   0.628  -3.463
   36    H    ASP   5           H        ASP   5  12.462  -3.932  -0.703
   37    HA   ASP   5           HA       ASP   5  12.794  -2.157   1.630
   38   1HB   ASP   5          2HB       ASP   5  13.947  -3.890   2.752
   39   2HB   ASP   5          1HB       ASP   5  12.418  -4.445   2.151
   40    H    THR   6           H        THR   6  14.784  -1.321   2.004
   41    HA   THR   6           HA       THR   6  16.630  -1.306  -0.367
   42    HB   THR   6           HB       THR   6  17.028   0.265   2.266
   43    HG1  THR   6           HG1      THR   6  15.799   1.526   0.172
   44   1HG2  THR   6          3HG2      THR   6  17.628   0.920  -0.707
   45   2HG2  THR   6          2HG2      THR   6  18.090   1.889   0.690
   46   3HG2  THR   6          1HG2      THR   6  18.839   0.327   0.412
   47    H    ILE   7           H        ILE   7  16.163  -2.527   2.760
   48    HA   ILE   7           HA       ILE   7  18.361  -4.423   2.677
   49    HB   ILE   7           HB       ILE   7  19.047  -3.921   4.983
   50   1HG1  ILE   7          2HG1      ILE   7  18.285  -1.470   5.707
   51   2HG1  ILE   7          1HG1      ILE   7  16.903  -1.924   4.718
   52   1HG2  ILE   7          2HG2      ILE   7  20.329  -2.832   3.168
   53   2HG2  ILE   7          1HG2      ILE   7  19.247  -1.456   3.202
   54   3HG2  ILE   7          3HG2      ILE   7  20.274  -1.790   4.578
   55   1HD1  ILE   7          3HD1      ILE   7  17.910  -3.655   6.999
   56   2HD1  ILE   7          2HD1      ILE   7  16.584  -2.520   7.184
   57   3HD1  ILE   7          1HD1      ILE   7  16.427  -3.902   6.155
   58    HA   PRO   8           HA       PRO   8  14.543  -5.926   4.787
   59   1HB   PRO   8          2HB       PRO   8  14.488  -8.463   3.995
   60   2HB   PRO   8          1HB       PRO   8  14.869  -7.301   2.757
   61   1HG   PRO   8          2HG       PRO   8  16.972  -8.900   4.172
   62   2HG   PRO   8          1HG       PRO   8  16.734  -8.614   2.452
   63   1HD   PRO   8          2HD       PRO   8  18.227  -6.975   4.286
   64   2HD   PRO   8          1HD       PRO   8  17.921  -6.607   2.567
   65    H    LYS   9           H        LYS   9  15.081  -8.587   5.592
   66    HA   LYS   9           HA       LYS   9  15.251  -8.805   8.211
   67   1HB   LYS   9          2HB       LYS   9  15.128 -10.498   6.244
   68   2HB   LYS   9          1HB       LYS   9  16.857 -10.487   6.337
   69   1HG   LYS   9          2HG       LYS   9  16.093 -12.431   7.632
   70   2HG   LYS   9          1HG       LYS   9  16.770 -11.242   8.730
   71   1HD   LYS   9          2HD       LYS   9  14.626 -10.545   9.531
   72   2HD   LYS   9          1HD       LYS   9  13.780 -11.260   8.174
   73   1HE   LYS   9          2HE       LYS   9  13.504 -12.559  10.287
   74   2HE   LYS   9          1HE       LYS   9  14.225 -13.526   9.007
   75   1HZ   LYS   9          2HZ       LYS   9  16.280 -12.248  10.415
   76   2HZ   LYS   9          1HZ       LYS   9  15.249 -12.967  11.548
   77   3HZ   LYS   9          3HZ       LYS   9  15.946 -13.911  10.322
   78    H    SER  10           H        SER  10  17.884  -8.304   6.060
   79    HA   SER  10           HA       SER  10  20.108  -8.823   7.595
   80   1HB   SER  10          2HB       SER  10  19.788  -6.352   5.804
   81   2HB   SER  10          1HB       SER  10  21.265  -7.313   6.041
   82    HG   SER  10           HG       SER  10  20.492  -8.633   4.580
   83    H    ARG  11           H        ARG  11  18.220  -5.866   7.773
   84    HA   ARG  11           HA       ARG  11  19.597  -5.312  10.374
   85   1HB   ARG  11          2HB       ARG  11  18.648  -2.977   8.672
   86   2HB   ARG  11          1HB       ARG  11  19.899  -3.123   9.846
   87   1HG   ARG  11          2HG       ARG  11  21.406  -4.304   8.392
   88   2HG   ARG  11          1HG       ARG  11  20.192  -4.454   7.138
   89   1HD   ARG  11          2HD       ARG  11  21.634  -2.637   6.492
   90   2HD   ARG  11          1HD       ARG  11  20.106  -1.929   6.986
   91    HE   ARG  11           HE       ARG  11  21.229  -1.454   9.228
   92   1HH1  ARG  11          2HH1      ARG  11  23.520  -3.135   8.138
   93   2HH1  ARG  11          1HH1      ARG  11  24.759  -1.955   7.847
   94   1HH2  ARG  11          1HH2      ARG  11  22.339   0.619   8.158
   95   2HH2  ARG  11          2HH2      ARG  11  24.032   0.360   7.871
   96    H    CYS  12           H        CYS  12  17.252  -6.754   9.501
   97    HA   CYS  12           HA       CYS  12  15.176  -5.253  10.950
   98   1HB   CYS  12          2HB       CYS  12  15.108  -6.189   8.238
   99   2HB   CYS  12          1HB       CYS  12  13.860  -6.766   9.276
  100    H    THR  13           H        THR  13  14.529  -6.387  12.512
  101    HA   THR  13           HA       THR  13  13.916  -9.246  12.350
  102    HB   THR  13           HB       THR  13  15.417  -9.776  14.307
  103    HG1  THR  13           HG1      THR  13  16.195  -8.148  15.498
  104   1HG2  THR  13          1HG2      THR  13  16.630  -9.332  12.029
  105   2HG2  THR  13          3HG2      THR  13  16.892  -7.693  12.566
  106   3HG2  THR  13          2HG2      THR  13  17.665  -9.010  13.410
  107    H    ALA  14           H        ALA  14  12.333  -9.552  14.363
  108    HA   ALA  14           HA       ALA  14  10.569  -7.372  14.427
  109   1HB   ALA  14          3HB       ALA  14  11.102  -9.378  16.711
  110   2HB   ALA  14          2HB       ALA  14   9.657  -8.397  16.555
  111   3HB   ALA  14          1HB       ALA  14   9.988  -9.650  15.374
  112    H    PHE  15           H        PHE  15  13.568  -7.578  16.004
  113    HA   PHE  15           HA       PHE  15  12.867  -5.445  17.896
  114   1HB   PHE  15          2HB       PHE  15  14.470  -7.359  18.486
  115   2HB   PHE  15          1HB       PHE  15  15.579  -6.790  17.258
  116    HD1  PHE  15           HD2      PHE  15  14.154  -6.053  20.581
  117    HD2  PHE  15           HD1      PHE  15  16.999  -4.845  17.643
  118    HE1  PHE  15           HE2      PHE  15  15.217  -4.577  22.218
  119    HE2  PHE  15           HE1      PHE  15  18.067  -3.368  19.294
  120    HZ   PHE  15           HZ       PHE  15  17.181  -3.231  21.579
  121    H    GLN  16           H        GLN  16  14.304  -5.649  14.838
  122    HA   GLN  16           HA       GLN  16  15.164  -2.757  15.001
  123   1HB   GLN  16          2HB       GLN  16  15.548  -4.813  12.788
  124   2HB   GLN  16          1HB       GLN  16  16.214  -3.203  12.775
  125   1HG   GLN  16          2HG       GLN  16  16.925  -5.125  15.015
  126   2HG   GLN  16          1HG       GLN  16  17.744  -5.195  13.464
  127   1HE2  GLN  16          2HE2      GLN  16  18.388  -1.881  15.747
  128   2HE2  GLN  16          1HE2      GLN  16  16.955  -2.758  16.035
  129    H    CYS  17           H        CYS  17  12.898  -4.933  13.672
  130    HA   CYS  17           HA       CYS  17  11.662  -3.161  11.739
  131   1HB   CYS  17          2HB       CYS  17  10.772  -5.854  12.771
  132   2HB   CYS  17          1HB       CYS  17  10.205  -5.037  11.340
  133    H    LYS  18           H        LYS  18  10.568  -4.396  15.042
  134    HA   LYS  18           HA       LYS  18   8.176  -2.693  14.553
  135   1HB   LYS  18          2HB       LYS  18   8.952  -4.857  16.539
  136   2HB   LYS  18          1HB       LYS  18   7.480  -3.925  16.660
  137   1HG   LYS  18          2HG       LYS  18   6.828  -4.583  14.347
  138   2HG   LYS  18          1HG       LYS  18   8.391  -5.299  14.056
  139   1HD   LYS  18          2HD       LYS  18   7.904  -7.070  15.717
  140   2HD   LYS  18          1HD       LYS  18   6.300  -6.383  15.950
  141   1HE   LYS  18          2HE       LYS  18   5.792  -6.663  13.528
  142   2HE   LYS  18          1HE       LYS  18   7.415  -7.252  13.222
  143   1HZ   LYS  18          3HZ       LYS  18   6.287  -8.786  15.275
  144   2HZ   LYS  18          2HZ       LYS  18   5.177  -8.705  13.991
  145   3HZ   LYS  18          1HZ       LYS  18   6.750  -9.263  13.710
  146    H    HIS  19           H        HIS  19  11.130  -2.577  16.092
  147    HA   HIS  19           HA       HIS  19  10.389  -0.566  18.058
  148   1HB   HIS  19          2HB       HIS  19  13.048  -1.725  17.231
  149   2HB   HIS  19          1HB       HIS  19  12.712  -0.754  18.650
  150    HD1  HIS  19           HD1      HIS  19  10.074  -2.859  18.233
  151    HD2  HIS  19           HD2      HIS  19  13.813  -3.216  19.812
  152    HE1  HIS  19           HE1      HIS  19  10.021  -4.767  19.627
  153    H    SER  20           H        SER  20  12.292  -0.668  14.916
  154    HA   SER  20           HA       SER  20  12.481   2.269  15.125
  155   1HB   SER  20          2HB       SER  20  13.794   0.275  13.212
  156   2HB   SER  20          1HB       SER  20  14.180   1.973  13.407
  157    HG   SER  20           HG       SER  20  15.382   1.373  15.032
  158    H    MET  21           H        MET  21  10.484   3.117  14.382
  159    HA   MET  21           HA       MET  21   8.755   1.948  12.534
  160   1HB   MET  21          2HB       MET  21   9.445   4.958  12.732
  161   2HB   MET  21          1HB       MET  21   8.008   4.365  11.973
  162   1HG   MET  21          2HG       MET  21   7.380   5.163  14.074
  163   2HG   MET  21          1HG       MET  21   7.340   3.429  14.215
  164   1HE   MET  21          3HE       MET  21   7.745   2.546  16.304
  165   2HE   MET  21          2HE       MET  21   9.231   1.995  15.498
  166   3HE   MET  21          1HE       MET  21   9.287   2.650  17.125
  167    H    LYS  22           H        LYS  22  11.307   4.168  11.789
  168    HA   LYS  22           HA       LYS  22  10.848   4.084   8.972
  169   1HB   LYS  22          2HB       LYS  22  13.204   4.971   8.766
  170   2HB   LYS  22          1HB       LYS  22  12.307   5.811  10.011
  171   1HG   LYS  22          2HG       LYS  22  13.441   4.073  11.672
  172   2HG   LYS  22          1HG       LYS  22  14.498   3.745  10.300
  173   1HD   LYS  22          2HD       LYS  22  15.240   6.042  10.167
  174   2HD   LYS  22          1HD       LYS  22  14.147   6.519  11.454
  175   1HE   LYS  22          2HE       LYS  22  15.294   5.034  13.047
  176   2HE   LYS  22          1HE       LYS  22  16.370   4.453  11.789
  177   1HZ   LYS  22          1HZ       LYS  22  16.469   7.258  11.808
  178   2HZ   LYS  22          3HZ       LYS  22  16.677   6.706  13.398
  179   3HZ   LYS  22          2HZ       LYS  22  17.698   6.145  12.167
  180    H    TYR  23           H        TYR  23  12.190   1.614  10.909
  181    HA   TYR  23           HA       TYR  23  13.615   0.363   8.711
  182   1HB   TYR  23          2HB       TYR  23  12.930  -0.409  11.558
  183   2HB   TYR  23          1HB       TYR  23  13.360  -1.653  10.463
  184    HD1  TYR  23           HD1      TYR  23  14.598   1.853  10.799
  185    HD2  TYR  23           HD2      TYR  23  15.592  -2.252  10.941
  186    HE1  TYR  23           HE1      TYR  23  16.955   2.451  11.094
  187    HE2  TYR  23           HE2      TYR  23  17.956  -1.683  11.247
  188    HH   TYR  23           HH       TYR  23  19.391   0.085  11.792
  189    H    ARG  24           H        ARG  24  10.503   0.069  10.353
  190    HA   ARG  24           HA       ARG  24   9.756  -2.095   8.513
  191   1HB   ARG  24          2HB       ARG  24   8.971  -2.378  10.764
  192   2HB   ARG  24          1HB       ARG  24   8.534  -0.714  10.988
  193   1HG   ARG  24          2HG       ARG  24   6.853  -2.806   9.455
  194   2HG   ARG  24          1HG       ARG  24   6.760  -2.391  11.100
  195   1HD   ARG  24          2HD       ARG  24   6.635   0.023   9.450
  196   2HD   ARG  24          1HD       ARG  24   5.303  -1.101   9.163
  197    HE   ARG  24           HE       ARG  24   5.265  -1.237  11.736
  198   1HH1  ARG  24          1HH2      ARG  24   6.953   0.584  12.714
  199   2HH1  ARG  24          2HH2      ARG  24   6.119   2.115  12.813
  200   1HH2  ARG  24          2HH1      ARG  24   3.775   0.900  10.444
  201   2HH2  ARG  24          1HH1      ARG  24   4.141   2.313  11.380
  202    H    LEU  25           H        LEU  25   8.797   1.372   8.985
  203    HA   LEU  25           HA       LEU  25   6.856   1.346   6.880
  204   1HB   LEU  25          2HB       LEU  25   8.137   3.306   8.750
  205   2HB   LEU  25          1HB       LEU  25   7.272   3.900   7.392
  206    HG   LEU  25           HG       LEU  25   5.938   1.852   9.206
  207   1HD1  LEU  25          1HD1      LEU  25   6.177   4.850   9.760
  208   2HD1  LEU  25          3HD1      LEU  25   5.135   3.749  10.644
  209   3HD1  LEU  25          2HD1      LEU  25   6.865   3.528  10.688
  210   1HD2  LEU  25          1HD2      LEU  25   4.854   4.233   7.633
  211   2HD2  LEU  25          3HD2      LEU  25   4.783   2.563   7.098
  212   3HD2  LEU  25          2HD2      LEU  25   3.886   3.066   8.516
  213    H    SER  26           H        SER  26  10.160   1.271   6.748
  214    HA   SER  26           HA       SER  26  10.047   2.323   3.991
  215   1HB   SER  26          2HB       SER  26  11.920   3.573   6.072
  216   2HB   SER  26          1HB       SER  26  11.981   3.884   4.335
  217    HG   SER  26           HG       SER  26   9.453   4.146   4.985
  218    H    PHE  27           H        PHE  27  12.745   1.482   6.207
  219    HA   PHE  27           HA       PHE  27  14.416   0.486   4.206
  220   1HB   PHE  27          2HB       PHE  27  14.166  -0.698   6.988
  221   2HB   PHE  27          1HB       PHE  27  15.463  -0.952   5.875
  222    HD1  PHE  27           HD1      PHE  27  14.343   2.561   5.776
  223    HD2  PHE  27           HD2      PHE  27  16.856  -0.195   7.866
  224    HE1  PHE  27           HE1      PHE  27  15.609   4.410   6.704
  225    HE2  PHE  27           HE2      PHE  27  18.130   1.690   8.781
  226    HZ   PHE  27           HZ       PHE  27  17.508   3.998   8.204
  227    H    CYS  28           H        CYS  28  12.122  -1.382   6.084
  228    HA   CYS  28           HA       CYS  28  12.404  -3.669   4.294
  229   1HB   CYS  28          2HB       CYS  28  11.373  -3.393   7.050
  230   2HB   CYS  28          1HB       CYS  28  11.500  -4.822   6.294
  231    H    ARG  29           H        ARG  29  10.428  -1.521   3.508
  232    HA   ARG  29           HA       ARG  29   7.792  -2.373   4.213
  233   1HB   ARG  29          2HB       ARG  29   8.653  -1.308   1.495
  234   2HB   ARG  29          1HB       ARG  29   7.125  -1.476   2.200
  235   1HG   ARG  29          2HG       ARG  29   9.069   0.143   3.760
  236   2HG   ARG  29          1HG       ARG  29   8.466   0.850   2.274
  237   1HD   ARG  29          2HD       ARG  29   6.876  -0.033   4.702
  238   2HD   ARG  29          1HD       ARG  29   6.934   1.531   3.917
  239    HE   ARG  29           HE       ARG  29   5.127  -0.546   3.132
  240   1HH1  ARG  29          1HH2      ARG  29   6.053  -1.068   0.783
  241   2HH1  ARG  29          2HH2      ARG  29   5.684   0.221  -0.297
  242   1HH2  ARG  29          2HH1      ARG  29   5.152   2.404   2.438
  243   2HH2  ARG  29          1HH1      ARG  29   5.125   2.336   0.705
  244    H    LYS  30           H        LYS  30  10.073  -4.318   2.923
  245    HA   LYS  30           HA       LYS  30   8.540  -5.727   0.924
  246   1HB   LYS  30          2HB       LYS  30  10.522  -7.213   0.888
  247   2HB   LYS  30          1HB       LYS  30  10.988  -5.561   0.801
  248   1HG   LYS  30          2HG       LYS  30  12.526  -6.444   2.328
  249   2HG   LYS  30          1HG       LYS  30  11.376  -5.634   3.348
  250   1HD   LYS  30          2HD       LYS  30  12.118  -7.757   4.238
  251   2HD   LYS  30          1HD       LYS  30  10.407  -7.782   3.925
  252   1HE   LYS  30          2HE       LYS  30  12.435  -8.934   1.967
  253   2HE   LYS  30          1HE       LYS  30  11.713  -9.896   3.245
  254   1HZ   LYS  30          1HZ       LYS  30   9.644  -8.558   1.886
  255   2HZ   LYS  30          3HZ       LYS  30  10.645  -9.311   0.740
  256   3HZ   LYS  30          2HZ       LYS  30   9.955 -10.218   1.989
  257    H    THR  31           H        THR  31   9.014  -5.896   4.446
  258    HA   THR  31           HA       THR  31   6.712  -7.631   4.574
  259    HB   THR  31           HB       THR  31   8.710  -9.225   3.668
  260    HG1  THR  31           HG1      THR  31   6.533  -9.725   5.195
  261   1HG2  THR  31          3HG2      THR  31  10.356  -8.861   5.647
  262   2HG2  THR  31          2HG2      THR  31   9.105  -9.523   6.688
  263   3HG2  THR  31          1HG2      THR  31   9.817 -10.509   5.435
  264    H    CYS  32           H        CYS  32   9.773  -7.100   6.165
  265    HA   CYS  32           HA       CYS  32   8.822  -7.287   8.881
  266   1HB   CYS  32          2HB       CYS  32  11.149  -6.404   7.493
  267   2HB   CYS  32          1HB       CYS  32  10.763  -5.241   8.710
  268    H    GLY  33           H        GLY  33   8.918  -5.009   6.519
  269   1HA   GLY  33          2HA       GLY  33   8.022  -2.801   8.045
  270   2HA   GLY  33          1HA       GLY  33   8.350  -2.852   6.339
  271    H    THR  34           H        THR  34   6.771  -4.501   5.314
  272    HA   THR  34           HA       THR  34   4.063  -4.126   6.411
  273    HB   THR  34           HB       THR  34   4.137  -2.838   3.706
  274    HG1  THR  34           HG1      THR  34   5.627  -1.432   4.087
  275   1HG2  THR  34          3HG2      THR  34   2.292  -2.555   5.568
  276   2HG2  THR  34          2HG2      THR  34   3.521  -1.764   6.549
  277   3HG2  THR  34          1HG2      THR  34   2.969  -1.011   5.060
  278    H    CYS  35           H        CYS  35   5.204  -6.638   5.580
  279    HA   CYS  35           HA       CYS  35   3.011  -7.661   4.060
  280   1HB   CYS  35          2HB       CYS  35   5.569  -6.986   2.708
  281   2HB   CYS  35          1HB       CYS  35   5.086  -8.622   2.482
   
  No H/Q in entry =         281
  Start of MODEL    9
    1   1H    ARG   1          3H        ARG   1  -0.108  -0.726  -4.209
    2   2H    ARG   1          2H        ARG   1  -1.307  -0.239  -3.114
    3   3H    ARG   1          1H        ARG   1  -0.564   0.912  -4.124
    4    HA   ARG   1           HA       ARG   1   1.010   1.262  -2.618
    5   1HB   ARG   1          2HB       ARG   1  -0.372  -0.992  -1.099
    6   2HB   ARG   1          1HB       ARG   1   0.829   0.065  -0.395
    7   1HG   ARG   1          2HG       ARG   1  -0.622   2.046  -0.813
    8   2HG   ARG   1          1HG       ARG   1  -1.812   1.025  -1.602
    9   1HD   ARG   1          2HD       ARG   1  -0.941   0.596   1.280
   10   2HD   ARG   1          1HD       ARG   1  -2.372   1.512   0.815
   11    HE   ARG   1           HE       ARG   1  -2.011  -1.344  -0.025
   12   1HH1  ARG   1          1HH1      ARG   1  -4.313  -1.116  -1.101
   13   2HH1  ARG   1          2HH1      ARG   1  -5.557  -0.972   0.096
   14   1HH2  ARG   1          1HH2      ARG   1  -3.255  -0.106   2.585
   15   2HH2  ARG   1          2HH2      ARG   1  -4.935  -0.377   2.263
   16    H    SER   2           H        SER   2   3.090   0.763  -2.995
   17    HA   SER   2           HA       SER   2   3.845  -2.119  -3.291
   18   1HB   SER   2          2HB       SER   2   5.222   0.270  -4.594
   19   2HB   SER   2          1HB       SER   2   5.476  -1.447  -4.950
   20    HG   SER   2           HG       SER   2   3.776  -1.295  -6.228
   21    H    CYS   3           H        CYS   3   4.578  -2.566  -1.246
   22    HA   CYS   3           HA       CYS   3   6.770  -0.906  -0.100
   23   1HB   CYS   3          2HB       CYS   3   4.768  -2.818   1.163
   24   2HB   CYS   3          1HB       CYS   3   6.054  -2.075   2.053
   25    H    ILE   4           H        ILE   4   8.747  -1.691  -0.256
   26    HA   ILE   4           HA       ILE   4   9.342  -4.601  -0.073
   27    HB   ILE   4           HB       ILE   4  10.763  -4.481  -2.145
   28   1HG1  ILE   4          2HG1      ILE   4   9.626  -1.667  -2.575
   29   2HG1  ILE   4          1HG1      ILE   4  11.222  -1.943  -1.913
   30   1HG2  ILE   4          2HG2      ILE   4   8.380  -5.155  -2.391
   31   2HG2  ILE   4          1HG2      ILE   4   7.926  -3.495  -2.701
   32   3HG2  ILE   4          3HG2      ILE   4   8.953  -4.349  -3.834
   33   1HD1  ILE   4          2HD1      ILE   4  11.868  -3.190  -3.971
   34   2HD1  ILE   4          1HD1      ILE   4  10.286  -2.884  -4.667
   35   3HD1  ILE   4          3HD1      ILE   4  11.371  -1.550  -4.341
   36    H    ASP   5           H        ASP   5  11.995  -4.439  -0.670
   37    HA   ASP   5           HA       ASP   5  12.902  -2.632   1.486
   38   1HB   ASP   5          2HB       ASP   5  14.190  -4.248   2.412
   39   2HB   ASP   5          1HB       ASP   5  12.590  -4.859   2.191
   40    H    THR   6           H        THR   6  14.861  -1.876   1.534
   41    HA   THR   6           HA       THR   6  16.429  -1.835  -1.004
   42    HB   THR   6           HB       THR   6  17.751  -0.094   0.673
   43    HG1  THR   6           HG1      THR   6  15.475   0.404   1.910
   44   1HG2  THR   6          3HG2      THR   6  14.825   0.455  -0.183
   45   2HG2  THR   6          2HG2      THR   6  16.050   1.682   0.133
   46   3HG2  THR   6          1HG2      THR   6  16.192   0.637  -1.261
   47    H    ILE   7           H        ILE   7  16.338  -2.709   2.285
   48    HA   ILE   7           HA       ILE   7  18.278  -4.890   2.051
   49    HB   ILE   7           HB       ILE   7  19.402  -4.267   4.147
   50   1HG1  ILE   7          2HG1      ILE   7  18.978  -1.745   4.797
   51   2HG1  ILE   7          1HG1      ILE   7  17.428  -2.076   4.037
   52   1HG2  ILE   7          2HG2      ILE   7  20.385  -3.424   2.035
   53   2HG2  ILE   7          1HG2      ILE   7  19.415  -1.968   2.153
   54   3HG2  ILE   7          3HG2      ILE   7  20.663  -2.285   3.342
   55   1HD1  ILE   7          1HD1      ILE   7  18.571  -3.807   6.257
   56   2HD1  ILE   7          3HD1      ILE   7  17.435  -2.502   6.581
   57   3HD1  ILE   7          2HD1      ILE   7  16.950  -3.902   5.687
   58    HA   PRO   8           HA       PRO   8  14.648  -5.937   4.674
   59   1HB   PRO   8          2HB       PRO   8  14.470  -8.510   4.132
   60   2HB   PRO   8          1HB       PRO   8  14.740  -7.477   2.763
   61   1HG   PRO   8          2HG       PRO   8  16.874  -9.135   4.094
   62   2HG   PRO   8          1HG       PRO   8  16.595  -8.829   2.387
   63   1HD   PRO   8          2HD       PRO   8  18.218  -7.249   4.233
   64   2HD   PRO   8          1HD       PRO   8  18.023  -6.949   2.488
   65    H    LYS   9           H        LYS   9  15.208  -8.576   5.654
   66    HA   LYS   9           HA       LYS   9  15.602  -8.429   8.337
   67   1HB   LYS   9          2HB       LYS   9  15.167 -10.362   6.607
   68   2HB   LYS   9          1HB       LYS   9  16.891 -10.520   6.633
   69   1HG   LYS   9          2HG       LYS   9  16.601 -11.961   8.399
   70   2HG   LYS   9          1HG       LYS   9  16.367 -10.525   9.371
   71   1HD   LYS   9          2HD       LYS   9  14.117 -12.032   7.918
   72   2HD   LYS   9          1HD       LYS   9  14.480 -12.209   9.622
   73   1HE   LYS   9          2HE       LYS   9  13.902  -9.884  10.076
   74   2HE   LYS   9          1HE       LYS   9  13.694  -9.545   8.370
   75   1HZ   LYS   9          2HZ       LYS   9  12.077 -11.754   8.990
   76   2HZ   LYS   9          1HZ       LYS   9  11.813 -10.557  10.166
   77   3HZ   LYS   9          3HZ       LYS   9  11.601 -10.178   8.539
   78    H    SER  10           H        SER  10  17.926  -8.341   5.845
   79    HA   SER  10           HA       SER  10  20.301  -8.885   7.221
   80   1HB   SER  10          2HB       SER  10  20.205  -8.341   4.681
   81   2HB   SER  10          1HB       SER  10  20.051  -6.629   5.109
   82    HG   SER  10           HG       SER  10  22.105  -7.517   6.504
   83    H    ARG  11           H        ARG  11  18.486  -5.903   7.479
   84    HA   ARG  11           HA       ARG  11  20.287  -5.219   9.725
   85   1HB   ARG  11          2HB       ARG  11  19.304  -3.007   7.859
   86   2HB   ARG  11          1HB       ARG  11  20.541  -3.049   9.041
   87   1HG   ARG  11          2HG       ARG  11  22.034  -4.455   7.693
   88   2HG   ARG  11          1HG       ARG  11  20.803  -4.636   6.463
   89   1HD   ARG  11          2HD       ARG  11  22.443  -2.950   5.745
   90   2HD   ARG  11          1HD       ARG  11  20.886  -2.180   6.017
   91    HE   ARG  11           HE       ARG  11  22.212  -2.009   8.487
   92   1HH1  ARG  11          2HH1      ARG  11  24.712  -1.662   7.659
   93   2HH1  ARG  11          1HH1      ARG  11  24.896  -0.036   7.086
   94   1HH2  ARG  11          1HH2      ARG  11  21.390   0.243   6.727
   95   2HH2  ARG  11          2HH2      ARG  11  22.863   1.119   6.492
   96    H    CYS  12           H        CYS  12  17.847  -6.623   9.506
   97    HA   CYS  12           HA       CYS  12  16.089  -4.847  10.998
   98   1HB   CYS  12          2HB       CYS  12  15.488  -6.035   8.411
   99   2HB   CYS  12          1HB       CYS  12  14.410  -6.432   9.699
  100    H    THR  13           H        THR  13  15.246  -5.781  12.588
  101    HA   THR  13           HA       THR  13  14.848  -8.706  12.812
  102    HB   THR  13           HB       THR  13  16.092  -8.550  15.055
  103    HG1  THR  13           HG1      THR  13  16.684  -6.578  15.628
  104   1HG2  THR  13          1HG2      THR  13  17.297  -8.886  12.711
  105   2HG2  THR  13          3HG2      THR  13  17.603  -7.183  12.709
  106   3HG2  THR  13          2HG2      THR  13  18.343  -8.160  13.937
  107    H    ALA  14           H        ALA  14  13.273  -9.233  14.333
  108    HA   ALA  14           HA       ALA  14  10.896  -7.945  14.259
  109   1HB   ALA  14          3HB       ALA  14  12.046  -9.259  16.795
  110   2HB   ALA  14          2HB       ALA  14  10.336  -8.982  16.489
  111   3HB   ALA  14          1HB       ALA  14  11.227 -10.114  15.490
  112    H    PHE  15           H        PHE  15  13.513  -7.043  16.316
  113    HA   PHE  15           HA       PHE  15  12.071  -5.084  17.828
  114   1HB   PHE  15          2HB       PHE  15  15.046  -5.042  17.121
  115   2HB   PHE  15          1HB       PHE  15  14.245  -4.333  18.488
  116    HD1  PHE  15           HD2      PHE  15  12.512  -7.042  18.957
  117    HD2  PHE  15           HD1      PHE  15  16.655  -6.070  18.612
  118    HE1  PHE  15           HE2      PHE  15  13.096  -8.990  20.303
  119    HE2  PHE  15           HE1      PHE  15  17.232  -8.007  19.944
  120    HZ   PHE  15           HZ       PHE  15  15.449  -9.490  20.817
  121    H    GLN  16           H        GLN  16  14.370  -4.801  15.180
  122    HA   GLN  16           HA       GLN  16  13.837  -2.005  14.749
  123   1HB   GLN  16          2HB       GLN  16  14.965  -3.981  12.729
  124   2HB   GLN  16          1HB       GLN  16  15.246  -2.260  12.803
  125   1HG   GLN  16          2HG       GLN  16  16.352  -2.466  15.030
  126   2HG   GLN  16          1HG       GLN  16  16.117  -4.193  15.030
  127   1HE2  GLN  16          2HE2      GLN  16  18.767  -4.905  12.875
  128   2HE2  GLN  16          1HE2      GLN  16  17.382  -5.515  13.659
  129    H    CYS  17           H        CYS  17  12.350  -4.882  13.640
  130    HA   CYS  17           HA       CYS  17  10.847  -3.695  11.482
  131   1HB   CYS  17          2HB       CYS  17  10.418  -6.366  12.894
  132   2HB   CYS  17          1HB       CYS  17   9.902  -5.939  11.285
  133    H    LYS  18           H        LYS  18  10.112  -4.371  14.879
  134    HA   LYS  18           HA       LYS  18   7.370  -3.265  14.323
  135   1HB   LYS  18          2HB       LYS  18   7.851  -5.644  15.309
  136   2HB   LYS  18          1HB       LYS  18   8.149  -4.802  16.805
  137   1HG   LYS  18          2HG       LYS  18   5.944  -3.970  16.983
  138   2HG   LYS  18          1HG       LYS  18   5.613  -4.152  15.278
  139   1HD   LYS  18          2HD       LYS  18   6.034  -6.507  17.168
  140   2HD   LYS  18          1HD       LYS  18   4.463  -5.869  16.736
  141   1HE   LYS  18          2HE       LYS  18   6.491  -7.037  14.740
  142   2HE   LYS  18          1HE       LYS  18   5.036  -7.826  15.309
  143   1HZ   LYS  18          1HZ       LYS  18   4.310  -5.300  14.370
  144   2HZ   LYS  18          3HZ       LYS  18   5.306  -6.001  13.192
  145   3HZ   LYS  18          2HZ       LYS  18   3.911  -6.816  13.728
  146    H    HIS  19           H        HIS  19  10.309  -2.702  16.070
  147    HA   HIS  19           HA       HIS  19   9.145  -0.584  17.692
  148   1HB   HIS  19          2HB       HIS  19  11.994  -1.666  17.739
  149   2HB   HIS  19          1HB       HIS  19  11.141  -0.697  18.901
  150    HD1  HIS  19           HD1      HIS  19   8.764  -2.722  18.158
  151    HD2  HIS  19           HD2      HIS  19  12.305  -3.487  20.042
  152    HE1  HIS  19           HE1      HIS  19   8.458  -4.733  19.358
  153    H    SER  20           H        SER  20  11.787  -0.994  15.115
  154    HA   SER  20           HA       SER  20  12.078   1.936  15.202
  155   1HB   SER  20          2HB       SER  20  13.484  -0.225  13.547
  156   2HB   SER  20          1HB       SER  20  14.005   1.439  13.794
  157    HG   SER  20           HG       SER  20  13.400   0.348  16.157
  158    H    MET  21           H        MET  21   9.953   2.430  14.484
  159    HA   MET  21           HA       MET  21   8.595   1.471  12.262
  160   1HB   MET  21          2HB       MET  21   8.857   4.407  13.129
  161   2HB   MET  21          1HB       MET  21   7.705   3.853  11.940
  162   1HG   MET  21          2HG       MET  21   6.661   4.052  14.133
  163   2HG   MET  21          1HG       MET  21   6.612   2.420  13.543
  164   1HE   MET  21          3HE       MET  21   8.062   4.896  16.136
  165   2HE   MET  21          2HE       MET  21   9.240   3.903  16.974
  166   3HE   MET  21          1HE       MET  21   9.557   4.372  15.318
  167    H    LYS  22           H        LYS  22  11.060   4.093  11.979
  168    HA   LYS  22           HA       LYS  22  10.747   4.199   9.147
  169   1HB   LYS  22          2HB       LYS  22  12.158   5.801  10.725
  170   2HB   LYS  22          1HB       LYS  22  13.436   4.602  10.577
  171   1HG   LYS  22          2HG       LYS  22  13.458   4.901   8.108
  172   2HG   LYS  22          1HG       LYS  22  12.097   5.991   8.206
  173   1HD   LYS  22          2HD       LYS  22  13.995   7.407   8.005
  174   2HD   LYS  22          1HD       LYS  22  13.564   7.478   9.700
  175   1HE   LYS  22          2HE       LYS  22  15.332   5.847  10.276
  176   2HE   LYS  22          1HE       LYS  22  15.727   5.635   8.577
  177   1HZ   LYS  22          3HZ       LYS  22  15.792   8.385   9.164
  178   2HZ   LYS  22          2HZ       LYS  22  16.684   7.573  10.352
  179   3HZ   LYS  22          1HZ       LYS  22  17.070   7.369   8.713
  180    H    TYR  23           H        TYR  23  12.233   1.778  11.028
  181    HA   TYR  23           HA       TYR  23  13.870   0.709   8.871
  182   1HB   TYR  23          2HB       TYR  23  13.125  -0.106  11.648
  183   2HB   TYR  23          1HB       TYR  23  13.578  -1.412  10.715
  184    HD1  TYR  23           HD2      TYR  23  14.664   2.039  11.691
  185    HD2  TYR  23           HD1      TYR  23  15.972  -1.819  10.394
  186    HE1  TYR  23           HE2      TYR  23  16.998   2.680  12.087
  187    HE2  TYR  23           HE1      TYR  23  18.281  -1.161  10.788
  188    HH   TYR  23           HH       TYR  23  19.566   0.393  11.892
  189    H    ARG  24           H        ARG  24  10.848  -0.115  10.397
  190    HA   ARG  24           HA       ARG  24  10.276  -2.268   8.533
  191   1HB   ARG  24          2HB       ARG  24   8.545  -2.635  10.186
  192   2HB   ARG  24          1HB       ARG  24   9.539  -1.583  11.102
  193   1HG   ARG  24          2HG       ARG  24   7.560  -0.504  11.478
  194   2HG   ARG  24          1HG       ARG  24   7.980   0.373  10.027
  195   1HD   ARG  24          2HD       ARG  24   5.648  -0.498   9.615
  196   2HD   ARG  24          1HD       ARG  24   6.694  -1.518   8.777
  197    HE   ARG  24           HE       ARG  24   6.548  -2.528  11.434
  198   1HH1  ARG  24          2HH1      ARG  24   4.043  -1.319   9.531
  199   2HH1  ARG  24          1HH1      ARG  24   3.130  -2.766   9.535
  200   1HH2  ARG  24          1HH2      ARG  24   5.708  -4.616  11.022
  201   2HH2  ARG  24          2HH2      ARG  24   4.098  -4.741  10.373
  202    H    LEU  25           H        LEU  25   9.351   1.156   8.749
  203    HA   LEU  25           HA       LEU  25   7.604   1.049   6.454
  204   1HB   LEU  25          2HB       LEU  25   8.380   3.002   8.589
  205   2HB   LEU  25          1HB       LEU  25   7.723   3.609   7.133
  206    HG   LEU  25           HG       LEU  25   6.155   1.293   8.203
  207   1HD1  LEU  25          3HD1      LEU  25   6.307   3.828   9.913
  208   2HD1  LEU  25          2HD1      LEU  25   5.200   2.480  10.141
  209   3HD1  LEU  25          1HD1      LEU  25   6.919   2.255  10.400
  210   1HD2  LEU  25          3HD2      LEU  25   5.336   2.971   6.454
  211   2HD2  LEU  25          2HD2      LEU  25   4.273   2.852   7.836
  212   3HD2  LEU  25          1HD2      LEU  25   5.372   4.214   7.680
  213    H    SER  26           H        SER  26  10.926   1.333   6.644
  214    HA   SER  26           HA       SER  26  10.867   2.831   4.032
  215   1HB   SER  26          2HB       SER  26  13.180   3.248   5.963
  216   2HB   SER  26          1HB       SER  26  12.658   4.234   4.599
  217    HG   SER  26           HG       SER  26  11.600   3.951   7.122
  218    H    PHE  27           H        PHE  27  13.209   1.092   6.073
  219    HA   PHE  27           HA       PHE  27  14.630   0.142   3.732
  220   1HB   PHE  27          2HB       PHE  27  14.936  -0.918   6.580
  221   2HB   PHE  27          1HB       PHE  27  16.060  -1.044   5.260
  222    HD1  PHE  27           HD1      PHE  27  16.225   1.624   4.095
  223    HD2  PHE  27           HD2      PHE  27  15.875   0.535   8.203
  224    HE1  PHE  27           HE1      PHE  27  17.250   3.750   4.744
  225    HE2  PHE  27           HE2      PHE  27  16.896   2.665   8.849
  226    HZ   PHE  27           HZ       PHE  27  17.593   4.282   7.127
  227    H    CYS  28           H        CYS  28  12.664  -1.588   6.177
  228    HA   CYS  28           HA       CYS  28  12.573  -3.877   4.368
  229   1HB   CYS  28          2HB       CYS  28  11.754  -3.649   7.228
  230   2HB   CYS  28          1HB       CYS  28  12.107  -5.033   6.435
  231    H    ARG  29           H        ARG  29  10.836  -1.833   3.687
  232    HA   ARG  29           HA       ARG  29   8.182  -2.301   4.638
  233   1HB   ARG  29          2HB       ARG  29   8.798  -1.507   1.770
  234   2HB   ARG  29          1HB       ARG  29   7.539  -0.957   2.807
  235   1HG   ARG  29          2HG       ARG  29   8.736   0.565   3.956
  236   2HG   ARG  29          1HG       ARG  29  10.301  -0.133   3.599
  237   1HD   ARG  29          2HD       ARG  29   9.989   1.850   2.217
  238   2HD   ARG  29          1HD       ARG  29   9.924   0.440   1.169
  239    HE   ARG  29           HE       ARG  29   7.427   1.639   2.288
  240   1HH1  ARG  29          1HH2      ARG  29   9.425   1.561  -0.466
  241   2HH1  ARG  29          2HH2      ARG  29   8.096   1.463  -1.580
  242   1HH2  ARG  29          2HH1      ARG  29   5.752   1.188   0.998
  243   2HH2  ARG  29          1HH1      ARG  29   5.943   1.242  -0.726
  244    H    LYS  30           H        LYS  30  10.304  -4.322   3.080
  245    HA   LYS  30           HA       LYS  30   8.597  -5.788   1.310
  246   1HB   LYS  30          2HB       LYS  30  10.370  -7.572   1.491
  247   2HB   LYS  30          1HB       LYS  30  11.030  -6.010   1.109
  248   1HG   LYS  30          2HG       LYS  30  12.484  -6.683   2.793
  249   2HG   LYS  30          1HG       LYS  30  11.314  -5.807   3.758
  250   1HD   LYS  30          2HD       LYS  30  10.235  -8.308   3.880
  251   2HD   LYS  30          1HD       LYS  30  11.852  -8.769   3.481
  252   1HE   LYS  30          2HE       LYS  30  12.841  -7.787   5.402
  253   2HE   LYS  30          1HE       LYS  30  11.438  -6.833   5.768
  254   1HZ   LYS  30          3HZ       LYS  30  10.790  -9.621   5.820
  255   2HZ   LYS  30          2HZ       LYS  30  12.147  -9.313   6.768
  256   3HZ   LYS  30          1HZ       LYS  30  10.712  -8.490   7.093
  257    H    THR  31           H        THR  31   9.217  -6.146   4.784
  258    HA   THR  31           HA       THR  31   6.708  -7.631   4.986
  259    HB   THR  31           HB       THR  31   9.174  -9.296   5.104
  260    HG1  THR  31           HG1      THR  31   7.316  -9.151   3.229
  261   1HG2  THR  31          2HG2      THR  31   6.464 -10.162   6.073
  262   2HG2  THR  31          1HG2      THR  31   7.839 -11.239   5.831
  263   3HG2  THR  31          3HG2      THR  31   7.904  -9.986   7.058
  264    H    CYS  32           H        CYS  32   9.785  -7.041   6.333
  265    HA   CYS  32           HA       CYS  32   9.087  -7.712   9.054
  266   1HB   CYS  32          2HB       CYS  32  11.200  -6.277   7.708
  267   2HB   CYS  32          1HB       CYS  32  10.800  -5.492   9.167
  268    H    GLY  33           H        GLY  33   8.790  -4.948   7.069
  269   1HA   GLY  33          2HA       GLY  33   7.157  -3.703   9.205
  270   2HA   GLY  33          1HA       GLY  33   8.212  -2.824   8.112
  271    H    THR  34           H        THR  34   7.669  -3.533   5.761
  272    HA   THR  34           HA       THR  34   6.165  -2.880   4.050
  273    HB   THR  34           HB       THR  34   5.884  -5.265   4.615
  274    HG1  THR  34           HG1      THR  34   4.821  -4.572   2.855
  275   1HG2  THR  34          3HG2      THR  34   3.451  -4.257   6.216
  276   2HG2  THR  34          2HG2      THR  34   3.648  -5.942   5.773
  277   3HG2  THR  34          1HG2      THR  34   4.776  -5.185   6.862
  278    H    CYS  35           H        CYS  35   6.318  -0.953   5.413
  279    HA   CYS  35           HA       CYS  35   5.493   1.021   6.019
  280   1HB   CYS  35          2HB       CYS  35   3.228   0.246   4.212
  281   2HB   CYS  35          1HB       CYS  35   3.940   1.801   4.548
   
  No H/Q in entry =         281
  Start of MODEL   10
    1   1H    ARG   1          3H        ARG   1   5.199   1.549  -0.145
    2   2H    ARG   1          2H        ARG   1   5.525   3.217  -0.067
    3   3H    ARG   1          1H        ARG   1   4.000   2.619   0.374
    4    HA   ARG   1           HA       ARG   1   3.264   2.839  -1.687
    5   1HB   ARG   1          2HB       ARG   1   4.892   4.755  -1.789
    6   2HB   ARG   1          1HB       ARG   1   6.149   3.668  -2.329
    7   1HG   ARG   1          2HG       ARG   1   4.961   3.185  -4.411
    8   2HG   ARG   1          1HG       ARG   1   3.551   4.081  -3.880
    9   1HD   ARG   1          2HD       ARG   1   4.968   5.418  -5.442
   10   2HD   ARG   1          1HD       ARG   1   4.905   6.188  -3.863
   11    HE   ARG   1           HE       ARG   1   7.152   4.551  -3.739
   12   1HH1  ARG   1          1HH2      ARG   1   7.075   5.142  -6.689
   13   2HH1  ARG   1          2HH2      ARG   1   8.112   6.527  -6.804
   14   1HH2  ARG   1          1HH1      ARG   1   7.932   7.091  -3.348
   15   2HH2  ARG   1          2HH1      ARG   1   8.619   7.680  -4.827
   16    H    SER   2           H        SER   2   6.448   1.366  -1.716
   17    HA   SER   2           HA       SER   2   5.424  -0.734  -3.586
   18   1HB   SER   2          2HB       SER   2   8.280   0.319  -3.214
   19   2HB   SER   2          1HB       SER   2   7.787  -0.938  -4.366
   20    HG   SER   2           HG       SER   2   7.587   1.696  -4.694
   21    H    CYS   3           H        CYS   3   5.466  -2.775  -2.803
   22    HA   CYS   3           HA       CYS   3   6.216  -3.222   0.001
   23   1HB   CYS   3          2HB       CYS   3   4.236  -4.333  -0.755
   24   2HB   CYS   3          1HB       CYS   3   4.995  -4.904  -2.216
   25    H    ILE   4           H        ILE   4   8.428  -2.558  -0.461
   26    HA   ILE   4           HA       ILE   4  10.114  -4.897  -0.971
   27    HB   ILE   4           HB       ILE   4  11.588  -3.561  -2.607
   28   1HG1  ILE   4          2HG1      ILE   4   9.359  -1.483  -2.399
   29   2HG1  ILE   4          1HG1      ILE   4  10.968  -1.288  -1.749
   30   1HG2  ILE   4          2HG2      ILE   4   9.811  -5.029  -3.567
   31   2HG2  ILE   4          1HG2      ILE   4   8.679  -3.697  -3.555
   32   3HG2  ILE   4          3HG2      ILE   4  10.087  -3.639  -4.594
   33   1HD1  ILE   4          2HD1      ILE   4  11.930  -1.411  -4.049
   34   2HD1  ILE   4          1HD1      ILE   4  10.322  -1.559  -4.740
   35   3HD1  ILE   4          3HD1      ILE   4  10.789  -0.092  -3.900
   36    H    ASP   5           H        ASP   5  12.380  -4.239  -0.667
   37    HA   ASP   5           HA       ASP   5  12.586  -2.359   1.604
   38   1HB   ASP   5          2HB       ASP   5  13.908  -4.012   2.756
   39   2HB   ASP   5          1HB       ASP   5  12.370  -4.628   2.260
   40    H    THR   6           H        THR   6  14.636  -1.406   1.839
   41    HA   THR   6           HA       THR   6  16.289  -1.462  -0.676
   42    HB   THR   6           HB       THR   6  16.772   0.258   1.856
   43    HG1  THR   6           HG1      THR   6  14.739   0.191   0.026
   44   1HG2  THR   6          2HG2      THR   6  17.267   0.799  -1.144
   45   2HG2  THR   6          1HG2      THR   6  17.750   1.819   0.201
   46   3HG2  THR   6          3HG2      THR   6  18.535   0.267  -0.049
   47    H    ILE   7           H        ILE   7  16.097  -2.543   2.532
   48    HA   ILE   7           HA       ILE   7  18.339  -4.382   2.353
   49    HB   ILE   7           HB       ILE   7  19.196  -3.722   4.583
   50   1HG1  ILE   7          2HG1      ILE   7  18.395  -1.258   5.200
   51   2HG1  ILE   7          1HG1      ILE   7  16.972  -1.802   4.327
   52   1HG2  ILE   7          2HG2      ILE   7  20.303  -2.725   2.617
   53   2HG2  ILE   7          1HG2      ILE   7  19.185  -1.379   2.635
   54   3HG2  ILE   7          3HG2      ILE   7  20.312  -1.591   3.956
   55   1HD1  ILE   7          2HD1      ILE   7  18.178  -3.337   6.648
   56   2HD1  ILE   7          1HD1      ILE   7  16.776  -2.294   6.816
   57   3HD1  ILE   7          3HD1      ILE   7  16.685  -3.749   5.906
   58    HA   PRO   8           HA       PRO   8  14.657  -5.926   4.624
   59   1HB   PRO   8          2HB       PRO   8  14.761  -8.484   4.078
   60   2HB   PRO   8          1HB       PRO   8  15.153  -7.427   2.762
   61   1HG   PRO   8          2HG       PRO   8  17.297  -8.742   4.426
   62   2HG   PRO   8          1HG       PRO   8  17.072  -8.729   2.680
   63   1HD   PRO   8          2HD       PRO   8  18.469  -6.751   4.217
   64   2HD   PRO   8          1HD       PRO   8  18.034  -6.609   2.496
   65    H    LYS   9           H        LYS   9  15.423  -8.493   5.598
   66    HA   LYS   9           HA       LYS   9  15.298  -8.611   8.246
   67   1HB   LYS   9          2HB       LYS   9  15.419 -10.353   6.334
   68   2HB   LYS   9          1HB       LYS   9  17.135 -10.205   6.490
   69   1HG   LYS   9          2HG       LYS   9  16.530 -12.183   7.760
   70   2HG   LYS   9          1HG       LYS   9  17.001 -10.936   8.897
   71   1HD   LYS   9          2HD       LYS   9  14.697 -10.486   9.526
   72   2HD   LYS   9          1HD       LYS   9  14.078 -11.364   8.139
   73   1HE   LYS   9          2HE       LYS   9  13.868 -12.647  10.285
   74   2HE   LYS   9          1HE       LYS   9  14.811 -13.504   9.076
   75   1HZ   LYS   9          3HZ       LYS   9  16.550 -11.884  10.571
   76   2HZ   LYS   9          2HZ       LYS   9  15.574 -12.742  11.657
   77   3HZ   LYS   9          1HZ       LYS   9  16.488 -13.582  10.500
   78    H    SER  10           H        SER  10  18.015  -8.034   6.267
   79    HA   SER  10           HA       SER  10  20.208  -8.273   7.882
   80   1HB   SER  10          2HB       SER  10  19.694  -5.959   5.952
   81   2HB   SER  10          1HB       SER  10  21.258  -6.747   6.271
   82    HG   SER  10           HG       SER  10  20.629  -8.298   4.917
   83    H    ARG  11           H        ARG  11  18.063  -5.528   7.917
   84    HA   ARG  11           HA       ARG  11  19.373  -4.671  10.489
   85   1HB   ARG  11          2HB       ARG  11  18.087  -2.759   8.540
   86   2HB   ARG  11          1HB       ARG  11  19.184  -2.428   9.848
   87   1HG   ARG  11          2HG       ARG  11  21.067  -3.529   8.696
   88   2HG   ARG  11          1HG       ARG  11  20.037  -4.014   7.380
   89   1HD   ARG  11          2HD       ARG  11  21.078  -2.161   6.472
   90   2HD   ARG  11          1HD       ARG  11  19.562  -1.483   6.992
   91    HE   ARG  11           HE       ARG  11  20.854  -0.033   8.341
   92   1HH1  ARG  11          1HH2      ARG  11  23.089  -1.663   6.925
   93   2HH1  ARG  11          2HH2      ARG  11  24.202  -1.885   8.226
   94   1HH2  ARG  11          2HH1      ARG  11  21.746  -0.846  10.559
   95   2HH2  ARG  11          1HH1      ARG  11  23.391  -1.371  10.434
   96    H    CYS  12           H        CYS  12  17.096  -6.323   9.484
   97    HA   CYS  12           HA       CYS  12  14.946  -5.122  11.107
   98   1HB   CYS  12          2HB       CYS  12  14.865  -5.991   8.354
   99   2HB   CYS  12          1HB       CYS  12  13.728  -6.740   9.428
  100    H    THR  13           H        THR  13  14.841  -6.274  12.758
  101    HA   THR  13           HA       THR  13  14.368  -9.190  12.608
  102    HB   THR  13           HB       THR  13  16.061  -9.362  14.548
  103    HG1  THR  13           HG1      THR  13  16.667  -7.547  15.424
  104   1HG2  THR  13          3HG2      THR  13  16.810  -9.299  12.021
  105   2HG2  THR  13          2HG2      THR  13  17.122  -7.609  12.201
  106   3HG2  THR  13          1HG2      THR  13  18.085  -8.740  13.102
  107    H    ALA  14           H        ALA  14  12.728  -9.594  14.237
  108    HA   ALA  14           HA       ALA  14  10.699  -7.832  14.483
  109   1HB   ALA  14          1HB       ALA  14  11.671  -9.658  16.756
  110   2HB   ALA  14          3HB       ALA  14  10.051  -8.996  16.652
  111   3HB   ALA  14          2HB       ALA  14  10.593 -10.157  15.458
  112    H    PHE  15           H        PHE  15  13.540  -7.653  16.294
  113    HA   PHE  15           HA       PHE  15  12.547  -5.631  18.154
  114   1HB   PHE  15          2HB       PHE  15  14.600  -7.078  18.615
  115   2HB   PHE  15          1HB       PHE  15  15.452  -6.263  17.316
  116    HD1  PHE  15           HD1      PHE  15  15.998  -3.805  17.531
  117    HD2  PHE  15           HD2      PHE  15  14.331  -6.029  20.773
  118    HE1  PHE  15           HE1      PHE  15  16.675  -2.045  19.097
  119    HE2  PHE  15           HE2      PHE  15  15.014  -4.267  22.322
  120    HZ   PHE  15           HZ       PHE  15  16.185  -2.270  21.495
  121    H    GLN  16           H        GLN  16  14.631  -5.455  15.290
  122    HA   GLN  16           HA       GLN  16  14.487  -2.519  15.212
  123   1HB   GLN  16          2HB       GLN  16  15.449  -4.442  13.046
  124   2HB   GLN  16          1HB       GLN  16  15.835  -2.745  13.167
  125   1HG   GLN  16          2HG       GLN  16  17.019  -3.092  15.247
  126   2HG   GLN  16          1HG       GLN  16  16.536  -4.767  15.356
  127   1HE2  GLN  16          2HE2      GLN  16  18.729  -5.827  12.746
  128   2HE2  GLN  16          1HE2      GLN  16  17.194  -6.141  13.408
  129    H    CYS  17           H        CYS  17  12.760  -5.065  13.918
  130    HA   CYS  17           HA       CYS  17  11.373  -3.797  11.726
  131   1HB   CYS  17          2HB       CYS  17  12.101  -6.205  12.122
  132   2HB   CYS  17          1HB       CYS  17  10.931  -6.272  13.392
  133    H    LYS  18           H        LYS  18  10.536  -4.597  15.178
  134    HA   LYS  18           HA       LYS  18   8.038  -3.083  14.769
  135   1HB   LYS  18          2HB       LYS  18   9.080  -4.946  16.924
  136   2HB   LYS  18          1HB       LYS  18   7.739  -3.892  17.214
  137   1HG   LYS  18          2HG       LYS  18   6.868  -6.052  16.491
  138   2HG   LYS  18          1HG       LYS  18   6.532  -4.876  15.247
  139   1HD   LYS  18          2HD       LYS  18   8.552  -5.729  13.968
  140   2HD   LYS  18          1HD       LYS  18   8.828  -6.887  15.256
  141   1HE   LYS  18          2HE       LYS  18   7.603  -7.845  13.287
  142   2HE   LYS  18          1HE       LYS  18   6.646  -7.958  14.761
  143   1HZ   LYS  18          3HZ       LYS  18   6.183  -5.471  13.490
  144   2HZ   LYS  18          2HZ       LYS  18   5.981  -6.713  12.361
  145   3HZ   LYS  18          1HZ       LYS  18   5.083  -6.731  13.806
  146    H    HIS  19           H        HIS  19  11.175  -2.695  16.376
  147    HA   HIS  19           HA       HIS  19  10.156  -0.432  17.888
  148   1HB   HIS  19          2HB       HIS  19  12.955  -1.597  17.720
  149   2HB   HIS  19          1HB       HIS  19  12.302  -0.453  18.864
  150    HD1  HIS  19           HD1      HIS  19   9.806  -2.657  18.377
  151    HD2  HIS  19           HD2      HIS  19  13.301  -2.772  20.472
  152    HE1  HIS  19           HE1      HIS  19   9.572  -4.388  19.975
  153    H    SER  20           H        SER  20  12.321  -0.888  14.941
  154    HA   SER  20           HA       SER  20  12.656   2.040  15.047
  155   1HB   SER  20          2HB       SER  20  13.998  -0.160  13.472
  156   2HB   SER  20          1HB       SER  20  14.298   1.570  13.274
  157    HG   SER  20           HG       SER  20  15.374   1.518  15.099
  158    H    MET  21           H        MET  21  10.859   2.870  14.368
  159    HA   MET  21           HA       MET  21   9.044   2.085  12.424
  160   1HB   MET  21          2HB       MET  21   9.979   5.007  12.879
  161   2HB   MET  21          1HB       MET  21   8.407   4.529  12.293
  162   1HG   MET  21          2HG       MET  21   9.461   4.083  15.092
  163   2HG   MET  21          1HG       MET  21   8.224   5.177  14.574
  164   1HE   MET  21          3HE       MET  21   9.368   1.875  15.438
  165   2HE   MET  21          2HE       MET  21   7.962   0.940  15.823
  166   3HE   MET  21          1HE       MET  21   8.546   0.982  14.156
  167    H    LYS  22           H        LYS  22  12.008   3.888  11.734
  168    HA   LYS  22           HA       LYS  22  11.263   3.978   8.917
  169   1HB   LYS  22          2HB       LYS  22  13.975   4.386  10.325
  170   2HB   LYS  22          1HB       LYS  22  13.840   4.439   8.580
  171   1HG   LYS  22          2HG       LYS  22  12.083   6.234   8.794
  172   2HG   LYS  22          1HG       LYS  22  12.372   6.266  10.523
  173   1HD   LYS  22          2HD       LYS  22  14.705   6.978  10.186
  174   2HD   LYS  22          1HD       LYS  22  14.588   6.700   8.461
  175   1HE   LYS  22          2HE       LYS  22  14.393   9.113   8.938
  176   2HE   LYS  22          1HE       LYS  22  12.895   8.508   8.260
  177   1HZ   LYS  22          1HZ       LYS  22  12.779   8.229  11.051
  178   2HZ   LYS  22          3HZ       LYS  22  13.285   9.808  10.696
  179   3HZ   LYS  22          2HZ       LYS  22  11.835   9.219  10.044
  180    H    TYR  23           H        TYR  23  12.667   1.525  10.838
  181    HA   TYR  23           HA       TYR  23  13.764   0.164   8.521
  182   1HB   TYR  23          2HB       TYR  23  13.511  -0.368  11.486
  183   2HB   TYR  23          1HB       TYR  23  13.621  -1.802  10.512
  184    HD1  TYR  23           HD1      TYR  23  15.351  -1.257   8.344
  185    HD2  TYR  23           HD2      TYR  23  15.699   0.425  12.234
  186    HE1  TYR  23           HE1      TYR  23  17.684  -0.724   7.920
  187    HE2  TYR  23           HE2      TYR  23  18.045   0.927  11.794
  188    HH   TYR  23           HH       TYR  23  19.762  -0.351   9.183
  189    H    ARG  24           H        ARG  24  10.763  -0.077  10.474
  190    HA   ARG  24           HA       ARG  24   9.853  -2.133   8.565
  191   1HB   ARG  24          2HB       ARG  24   9.029  -2.453  10.750
  192   2HB   ARG  24          1HB       ARG  24   8.725  -0.779  11.089
  193   1HG   ARG  24          2HG       ARG  24   6.941  -2.722   9.486
  194   2HG   ARG  24          1HG       ARG  24   6.776  -2.199  11.106
  195   1HD   ARG  24          2HD       ARG  24   6.893   0.222   9.629
  196   2HD   ARG  24          1HD       ARG  24   5.821  -0.854   8.743
  197    HE   ARG  24           HE       ARG  24   5.429  -0.955  11.605
  198   1HH1  ARG  24          1HH2      ARG  24   4.146  -0.043   8.672
  199   2HH1  ARG  24          2HH2      ARG  24   2.911   1.001   9.287
  200   1HH2  ARG  24          2HH1      ARG  24   4.209   0.593  12.577
  201   2HH2  ARG  24          1HH1      ARG  24   2.923   1.361  11.706
  202    H    LEU  25           H        LEU  25   9.037   1.402   9.073
  203    HA   LEU  25           HA       LEU  25   7.063   1.407   6.987
  204   1HB   LEU  25          2HB       LEU  25   8.566   3.546   8.522
  205   2HB   LEU  25          1HB       LEU  25   7.315   3.824   7.411
  206    HG   LEU  25           HG       LEU  25   6.894   2.163   9.960
  207   1HD1  LEU  25          1HD1      LEU  25   7.715   4.434  10.471
  208   2HD1  LEU  25          3HD1      LEU  25   6.394   5.144   9.574
  209   3HD1  LEU  25          2HD1      LEU  25   6.062   4.199  11.023
  210   1HD2  LEU  25          2HD2      LEU  25   4.950   3.756   8.190
  211   2HD2  LEU  25          1HD2      LEU  25   5.109   2.010   8.137
  212   3HD2  LEU  25          3HD2      LEU  25   4.504   2.794   9.584
  213    H    SER  26           H        SER  26  10.319   1.249   6.740
  214    HA   SER  26           HA       SER  26  10.100   2.438   4.018
  215   1HB   SER  26          2HB       SER  26  12.302   3.386   5.922
  216   2HB   SER  26          1HB       SER  26  12.016   3.931   4.271
  217    HG   SER  26           HG       SER  26   9.692   4.189   5.446
  218    H    PHE  27           H        PHE  27  12.899   1.457   5.973
  219    HA   PHE  27           HA       PHE  27  14.311   0.371   3.819
  220   1HB   PHE  27          2HB       PHE  27  14.358  -0.465   6.704
  221   2HB   PHE  27          1HB       PHE  27  15.474  -1.061   5.522
  222    HD1  PHE  27           HD1      PHE  27  16.866   0.664   4.176
  223    HD2  PHE  27           HD2      PHE  27  14.866   1.735   7.781
  224    HE1  PHE  27           HE1      PHE  27  18.308   2.631   4.403
  225    HE2  PHE  27           HE2      PHE  27  16.304   3.688   7.999
  226    HZ   PHE  27           HZ       PHE  27  18.035   4.153   6.313
  227    H    CYS  28           H        CYS  28  12.162  -1.395   6.014
  228    HA   CYS  28           HA       CYS  28  12.381  -3.799   4.350
  229   1HB   CYS  28          2HB       CYS  28  11.133  -3.420   6.994
  230   2HB   CYS  28          1HB       CYS  28  11.646  -4.846   6.378
  231    H    ARG  29           H        ARG  29  10.381  -1.566   3.503
  232    HA   ARG  29           HA       ARG  29   7.824  -2.545   4.230
  233   1HB   ARG  29          2HB       ARG  29   8.788  -1.177   1.720
  234   2HB   ARG  29          1HB       ARG  29   7.124  -1.412   2.155
  235   1HG   ARG  29          2HG       ARG  29   7.858  -0.273   4.459
  236   2HG   ARG  29          1HG       ARG  29   9.229   0.284   3.509
  237   1HD   ARG  29          2HD       ARG  29   7.512   1.954   3.367
  238   2HD   ARG  29          1HD       ARG  29   7.640   1.162   1.796
  239    HE   ARG  29           HE       ARG  29   5.745  -0.377   2.900
  240   1HH1  ARG  29          2HH1      ARG  29   5.955   2.605   4.253
  241   2HH1  ARG  29          1HH1      ARG  29   4.356   3.137   3.853
  242   1HH2  ARG  29          1HH2      ARG  29   3.844   0.332   1.797
  243   2HH2  ARG  29          2HH2      ARG  29   3.075   1.766   2.387
  244    H    LYS  30           H        LYS  30   9.969  -4.495   3.017
  245    HA   LYS  30           HA       LYS  30   8.514  -5.825   0.881
  246   1HB   LYS  30          2HB       LYS  30  10.398  -7.477   1.087
  247   2HB   LYS  30          1HB       LYS  30  10.963  -5.865   0.795
  248   1HG   LYS  30          2HG       LYS  30  12.428  -6.573   2.517
  249   2HG   LYS  30          1HG       LYS  30  11.230  -5.744   3.461
  250   1HD   LYS  30          2HD       LYS  30  11.742  -7.759   4.554
  251   2HD   LYS  30          1HD       LYS  30  10.183  -8.049   3.808
  252   1HE   LYS  30          2HE       LYS  30  11.216  -9.231   1.936
  253   2HE   LYS  30          1HE       LYS  30  12.806  -9.000   2.659
  254   1HZ   LYS  30          1HZ       LYS  30  11.063 -10.000   4.612
  255   2HZ   LYS  30          3HZ       LYS  30  10.881 -10.945   3.225
  256   3HZ   LYS  30          2HZ       LYS  30  12.417 -10.765   3.928
  257    H    THR  31           H        THR  31   8.948  -6.035   4.362
  258    HA   THR  31           HA       THR  31   6.596  -7.788   4.549
  259    HB   THR  31           HB       THR  31   9.177  -9.134   5.262
  260    HG1  THR  31           HG1      THR  31   7.572  -9.287   3.058
  261   1HG2  THR  31          2HG2      THR  31   7.243  -9.774   6.783
  262   2HG2  THR  31          1HG2      THR  31   6.344 -10.223   5.349
  263   3HG2  THR  31          3HG2      THR  31   7.789 -11.111   5.781
  264    H    CYS  32           H        CYS  32   9.626  -7.332   6.155
  265    HA   CYS  32           HA       CYS  32   8.693  -7.254   8.840
  266   1HB   CYS  32          2HB       CYS  32  11.037  -6.565   7.419
  267   2HB   CYS  32          1HB       CYS  32  10.721  -5.319   8.573
  268    H    GLY  33           H        GLY  33   8.815  -5.078   6.384
  269   1HA   GLY  33          2HA       GLY  33   8.068  -2.815   7.992
  270   2HA   GLY  33          1HA       GLY  33   8.450  -2.807   6.292
  271    H    THR  34           H        THR  34   6.815  -4.355   5.146
  272    HA   THR  34           HA       THR  34   4.091  -3.855   6.187
  273    HB   THR  34           HB       THR  34   4.285  -2.505   3.534
  274    HG1  THR  34           HG1      THR  34   5.680  -0.867   4.185
  275   1HG2  THR  34          3HG2      THR  34   2.469  -2.122   5.374
  276   2HG2  THR  34          2HG2      THR  34   3.733  -1.453   6.387
  277   3HG2  THR  34          1HG2      THR  34   3.258  -0.616   4.919
  278    H    CYS  35           H        CYS  35   5.098  -6.408   5.380
  279    HA   CYS  35           HA       CYS  35   2.929  -7.198   3.664
  280   1HB   CYS  35          2HB       CYS  35   5.629  -6.698   2.596
  281   2HB   CYS  35          1HB       CYS  35   5.059  -8.292   2.233
   
  No H/Q in entry =         281
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1   4.686   0.132   1.113
    2   2H    ARG   1          3H        ARG   1   4.095   1.473   1.948
    3   3H    ARG   1          2H        ARG   1   3.091   0.127   1.696
    4    HA   ARG   1           HA       ARG   1   2.380   0.975  -0.224
    5   1HB   ARG   1          2HB       ARG   1   2.934   3.173   1.010
    6   2HB   ARG   1          1HB       ARG   1   4.468   3.173   0.152
    7   1HG   ARG   1          2HG       ARG   1   3.326   3.230  -2.017
    8   2HG   ARG   1          1HG       ARG   1   1.758   3.103  -1.241
    9   1HD   ARG   1          2HD       ARG   1   2.172   5.310  -0.102
   10   2HD   ARG   1          1HD       ARG   1   3.707   5.435  -0.965
   11    HE   ARG   1           HE       ARG   1   1.064   5.831  -2.110
   12   1HH1  ARG   1          1HH2      ARG   1   1.706   3.988  -4.000
   13   2HH1  ARG   1          2HH2      ARG   1   2.825   4.730  -5.097
   14   1HH2  ARG   1          1HH1      ARG   1   3.593   7.247  -2.776
   15   2HH2  ARG   1          2HH1      ARG   1   3.946   6.663  -4.371
   16    H    SER   2           H        SER   2   3.414  -0.920  -0.978
   17    HA   SER   2           HA       SER   2   4.249  -1.787  -3.097
   18   1HB   SER   2          2HB       SER   2   5.394   0.558  -3.684
   19   2HB   SER   2          1HB       SER   2   6.760  -0.030  -2.725
   20    HG   SER   2           HG       SER   2   6.126  -0.687  -5.213
   21    H    CYS   3           H        CYS   3   4.905  -3.782  -2.402
   22    HA   CYS   3           HA       CYS   3   6.350  -3.974   0.121
   23   1HB   CYS   3          2HB       CYS   3   5.546  -6.164  -1.819
   24   2HB   CYS   3          1HB       CYS   3   6.107  -6.380  -0.180
   25    H    ILE   4           H        ILE   4   8.308  -3.003  -0.287
   26    HA   ILE   4           HA       ILE   4  10.317  -4.799  -1.409
   27    HB   ILE   4           HB       ILE   4  11.327  -2.926  -2.865
   28   1HG1  ILE   4          2HG1      ILE   4   8.842  -1.374  -1.977
   29   2HG1  ILE   4          1HG1      ILE   4  10.492  -0.986  -1.561
   30   1HG2  ILE   4          2HG2      ILE   4   9.664  -4.500  -3.927
   31   2HG2  ILE   4          1HG2      ILE   4   8.384  -3.363  -3.560
   32   3HG2  ILE   4          3HG2      ILE   4   9.643  -2.928  -4.694
   33   1HD1  ILE   4          3HD1      ILE   4  11.005  -0.541  -3.979
   34   2HD1  ILE   4          2HD1      ILE   4   9.322  -0.868  -4.389
   35   3HD1  ILE   4          1HD1      ILE   4   9.724   0.493  -3.363
   36    H    ASP   5           H        ASP   5  12.376  -4.271  -0.839
   37    HA   ASP   5           HA       ASP   5  12.636  -2.471   1.495
   38   1HB   ASP   5          2HB       ASP   5  13.890  -4.102   2.607
   39   2HB   ASP   5          1HB       ASP   5  12.354  -4.744   2.147
   40    H    THR   6           H        THR   6  14.684  -1.598   1.853
   41    HA   THR   6           HA       THR   6  16.461  -1.561  -0.560
   42    HB   THR   6           HB       THR   6  15.974   0.655   0.526
   43    HG1  THR   6           HG1      THR   6  18.471  -0.461   0.265
   44   1HG2  THR   6          1HG2      THR   6  15.730  -0.219   2.913
   45   2HG2  THR   6          3HG2      THR   6  17.467  -0.470   2.956
   46   3HG2  THR   6          2HG2      THR   6  16.822   1.146   2.779
   47    H    ILE   7           H        ILE   7  16.170  -2.758   2.558
   48    HA   ILE   7           HA       ILE   7  18.373  -4.635   2.462
   49    HB   ILE   7           HB       ILE   7  19.127  -4.074   4.718
   50   1HG1  ILE   7          2HG1      ILE   7  18.405  -1.646   5.471
   51   2HG1  ILE   7          1HG1      ILE   7  17.007  -2.054   4.482
   52   1HG2  ILE   7          3HG2      ILE   7  20.334  -3.017   2.840
   53   2HG2  ILE   7          2HG2      ILE   7  19.247  -1.648   2.871
   54   3HG2  ILE   7          1HG2      ILE   7  20.323  -1.933   4.217
   55   1HD1  ILE   7          1HD1      ILE   7  17.943  -3.894   6.703
   56   2HD1  ILE   7          3HD1      ILE   7  16.706  -2.684   6.969
   57   3HD1  ILE   7          2HD1      ILE   7  16.430  -3.985   5.893
   58    HA   PRO   8           HA       PRO   8  14.621  -6.022   4.793
   59   1HB   PRO   8          2HB       PRO   8  14.583  -8.603   4.206
   60   2HB   PRO   8          1HB       PRO   8  14.877  -7.490   2.902
   61   1HG   PRO   8          2HG       PRO   8  17.013  -9.110   4.183
   62   2HG   PRO   8          1HG       PRO   8  16.716  -8.729   2.487
   63   1HD   PRO   8          2HD       PRO   8  18.258  -7.171   4.425
   64   2HD   PRO   8          1HD       PRO   8  18.100  -6.815   2.689
   65    H    LYS   9           H        LYS   9  15.376  -8.640   5.725
   66    HA   LYS   9           HA       LYS   9  15.542  -8.520   8.409
   67   1HB   LYS   9          2HB       LYS   9  15.286 -10.467   6.763
   68   2HB   LYS   9          1HB       LYS   9  17.017 -10.450   6.646
   69   1HG   LYS   9          2HG       LYS   9  16.487 -12.209   8.242
   70   2HG   LYS   9          1HG       LYS   9  17.192 -10.888   9.146
   71   1HD   LYS   9          2HD       LYS   9  14.968 -10.129   9.900
   72   2HD   LYS   9          1HD       LYS   9  14.183 -11.327   8.903
   73   1HE   LYS   9          2HE       LYS   9  16.101 -12.007  11.178
   74   2HE   LYS   9          1HE       LYS   9  14.348 -12.067  11.290
   75   1HZ   LYS   9          1HZ       LYS   9  15.114 -13.476   9.002
   76   2HZ   LYS   9          3HZ       LYS   9  16.068 -14.027  10.293
   77   3HZ   LYS   9          2HZ       LYS   9  14.377 -14.071  10.407
   78    H    SER  10           H        SER  10  18.090  -8.183   6.086
   79    HA   SER  10           HA       SER  10  20.335  -8.565   7.782
   80   1HB   SER  10          2HB       SER  10  21.639  -7.045   6.207
   81   2HB   SER  10          1HB       SER  10  20.629  -8.159   5.289
   82    HG   SER  10           HG       SER  10  20.595  -5.616   5.073
   83    H    ARG  11           H        ARG  11  18.291  -5.752   7.693
   84    HA   ARG  11           HA       ARG  11  19.807  -4.828  10.088
   85   1HB   ARG  11          2HB       ARG  11  18.677  -2.783   8.129
   86   2HB   ARG  11          1HB       ARG  11  19.902  -2.681   9.332
   87   1HG   ARG  11          2HG       ARG  11  21.451  -4.133   8.051
   88   2HG   ARG  11          1HG       ARG  11  20.257  -4.263   6.777
   89   1HD   ARG  11          2HD       ARG  11  21.903  -2.569   6.169
   90   2HD   ARG  11          1HD       ARG  11  20.345  -1.799   6.446
   91    HE   ARG  11           HE       ARG  11  21.255  -0.717   8.345
   92   1HH1  ARG  11          2HH1      ARG  11  22.185  -2.120  10.242
   93   2HH1  ARG  11          1HH1      ARG  11  23.911  -2.283  10.143
   94   1HH2  ARG  11          1HH2      ARG  11  23.794  -1.409   6.721
   95   2HH2  ARG  11          2HH2      ARG  11  24.880  -1.886   7.978
   96    H    CYS  12           H        CYS  12  17.391  -6.421   9.503
   97    HA   CYS  12           HA       CYS  12  15.477  -4.887  11.098
   98   1HB   CYS  12          2HB       CYS  12  15.068  -5.987   8.417
   99   2HB   CYS  12          1HB       CYS  12  13.977  -6.489   9.647
  100    H    THR  13           H        THR  13  14.857  -6.109  12.718
  101    HA   THR  13           HA       THR  13  14.719  -9.052  12.461
  102    HB   THR  13           HB       THR  13  16.129  -9.230  14.572
  103    HG1  THR  13           HG1      THR  13  16.343  -7.495  15.737
  104   1HG2  THR  13          2HG2      THR  13  17.265  -8.722  12.257
  105   2HG2  THR  13          1HG2      THR  13  17.268  -7.041  12.699
  106   3HG2  THR  13          3HG2      THR  13  18.233  -8.167  13.621
  107    H    ALA  14           H        ALA  14  13.215  -9.773  14.382
  108    HA   ALA  14           HA       ALA  14  10.885  -8.192  14.309
  109   1HB   ALA  14          1HB       ALA  14  10.880 -10.633  14.999
  110   2HB   ALA  14          3HB       ALA  14  11.736 -10.220  16.480
  111   3HB   ALA  14          2HB       ALA  14  10.087  -9.673  16.239
  112    H    PHE  15           H        PHE  15  13.509  -7.261  15.798
  113    HA   PHE  15           HA       PHE  15  12.166  -5.726  17.954
  114   1HB   PHE  15          2HB       PHE  15  14.273  -7.055  18.484
  115   2HB   PHE  15          1HB       PHE  15  15.141  -6.168  17.252
  116    HD1  PHE  15           HD1      PHE  15  13.735  -6.007  20.639
  117    HD2  PHE  15           HD2      PHE  15  15.816  -3.820  17.627
  118    HE1  PHE  15           HE1      PHE  15  14.379  -4.325  22.297
  119    HE2  PHE  15           HE2      PHE  15  16.454  -2.135  19.297
  120    HZ   PHE  15           HZ       PHE  15  15.737  -2.385  21.633
  121    H    GLN  16           H        GLN  16  14.524  -5.373  15.302
  122    HA   GLN  16           HA       GLN  16  14.131  -2.496  15.149
  123   1HB   GLN  16          2HB       GLN  16  15.226  -4.346  13.000
  124   2HB   GLN  16          1HB       GLN  16  15.480  -2.618  13.108
  125   1HG   GLN  16          2HG       GLN  16  16.562  -2.927  15.334
  126   2HG   GLN  16          1HG       GLN  16  16.439  -4.667  15.149
  127   1HE2  GLN  16          2HE2      GLN  16  19.279  -4.884  13.123
  128   2HE2  GLN  16          1HE2      GLN  16  18.076  -5.716  13.998
  129    H    CYS  17           H        CYS  17  12.495  -5.150  13.780
  130    HA   CYS  17           HA       CYS  17  11.180  -3.720  11.635
  131   1HB   CYS  17          2HB       CYS  17  10.465  -6.350  12.995
  132   2HB   CYS  17          1HB       CYS  17   9.796  -5.750  11.504
  133    H    LYS  18           H        LYS  18  10.631  -4.078  14.996
  134    HA   LYS  18           HA       LYS  18   7.875  -2.904  14.688
  135   1HB   LYS  18          2HB       LYS  18   8.102  -5.133  15.870
  136   2HB   LYS  18          1HB       LYS  18   9.030  -4.348  17.120
  137   1HG   LYS  18          2HG       LYS  18   7.085  -2.841  17.632
  138   2HG   LYS  18          1HG       LYS  18   6.178  -3.591  16.330
  139   1HD   LYS  18          2HD       LYS  18   6.306  -5.784  17.464
  140   2HD   LYS  18          1HD       LYS  18   7.271  -5.080  18.747
  141   1HE   LYS  18          2HE       LYS  18   5.394  -3.563  19.344
  142   2HE   LYS  18          1HE       LYS  18   4.425  -4.234  18.036
  143   1HZ   LYS  18          3HZ       LYS  18   5.441  -6.350  19.557
  144   2HZ   LYS  18          2HZ       LYS  18   4.746  -5.227  20.626
  145   3HZ   LYS  18          1HZ       LYS  18   3.826  -5.873  19.356
  146    H    HIS  19           H        HIS  19  10.952  -2.484  16.228
  147    HA   HIS  19           HA       HIS  19  10.114  -0.140  17.724
  148   1HB   HIS  19          2HB       HIS  19  12.784  -1.590  17.497
  149   2HB   HIS  19          1HB       HIS  19  12.316  -0.365  18.670
  150    HD1  HIS  19           HD1      HIS  19   9.588  -2.318  18.216
  151    HD2  HIS  19           HD2      HIS  19  13.055  -2.708  20.300
  152    HE1  HIS  19           HE1      HIS  19   9.196  -3.996  19.839
  153    H    SER  20           H        SER  20  12.587  -0.746  15.020
  154    HA   SER  20           HA       SER  20  12.885   2.151  14.920
  155   1HB   SER  20          2HB       SER  20  14.032  -0.232  13.333
  156   2HB   SER  20          1HB       SER  20  14.429   1.452  12.969
  157    HG   SER  20           HG       SER  20  15.810   1.234  14.559
  158    H    MET  21           H        MET  21  10.603   2.491  14.608
  159    HA   MET  21           HA       MET  21   8.944   1.379  12.655
  160   1HB   MET  21          2HB       MET  21   9.108   4.311  13.515
  161   2HB   MET  21          1HB       MET  21   7.751   3.599  12.672
  162   1HG   MET  21          2HG       MET  21   7.050   2.366  14.472
  163   2HG   MET  21          1HG       MET  21   8.620   2.177  15.181
  164   1HE   MET  21          3HE       MET  21   9.640   3.522  16.876
  165   2HE   MET  21          2HE       MET  21   9.851   4.841  15.700
  166   3HE   MET  21          1HE       MET  21   9.194   5.159  17.291
  167    H    LYS  22           H        LYS  22  11.495   3.755  12.130
  168    HA   LYS  22           HA       LYS  22  10.662   4.204   9.377
  169   1HB   LYS  22          2HB       LYS  22  13.395   4.578  10.735
  170   2HB   LYS  22          1HB       LYS  22  13.060   5.077   9.087
  171   1HG   LYS  22          2HG       LYS  22  11.243   6.588   9.920
  172   2HG   LYS  22          1HG       LYS  22  11.629   6.143  11.573
  173   1HD   LYS  22          2HD       LYS  22  13.911   7.042  11.331
  174   2HD   LYS  22          1HD       LYS  22  13.640   7.359   9.624
  175   1HE   LYS  22          2HE       LYS  22  11.826   8.969  10.210
  176   2HE   LYS  22          1HE       LYS  22  12.143   8.691  11.919
  177   1HZ   LYS  22          1HZ       LYS  22  14.582   9.244  10.665
  178   2HZ   LYS  22          3HZ       LYS  22  13.465  10.418  10.166
  179   3HZ   LYS  22          2HZ       LYS  22  13.754  10.168  11.818
  180    H    TYR  23           H        TYR  23  12.608   1.881  10.991
  181    HA   TYR  23           HA       TYR  23  13.865   0.762   8.674
  182   1HB   TYR  23          2HB       TYR  23  13.265  -0.176  11.488
  183   2HB   TYR  23          1HB       TYR  23  13.759  -1.371  10.441
  184    HD1  TYR  23           HD1      TYR  23  14.842   2.249  10.440
  185    HD2  TYR  23           HD2      TYR  23  15.944  -1.795  11.216
  186    HE1  TYR  23           HE1      TYR  23  17.144   2.947  10.822
  187    HE2  TYR  23           HE2      TYR  23  18.234  -1.100  11.601
  188    HH   TYR  23           HH       TYR  23  19.706   0.652  11.363
  189    H    ARG  24           H        ARG  24  10.918  -0.154  10.471
  190    HA   ARG  24           HA       ARG  24  10.255  -2.062   8.386
  191   1HB   ARG  24          2HB       ARG  24   8.424  -2.559   9.904
  192   2HB   ARG  24          1HB       ARG  24   9.630  -1.966  10.948
  193   1HG   ARG  24          2HG       ARG  24   8.012  -0.790  11.857
  194   2HG   ARG  24          1HG       ARG  24   8.350   0.365  10.589
  195   1HD   ARG  24          2HD       ARG  24   6.225   0.019   9.717
  196   2HD   ARG  24          1HD       ARG  24   6.546  -1.692   9.583
  197    HE   ARG  24           HE       ARG  24   5.719  -2.044  11.756
  198   1HH1  ARG  24          1HH2      ARG  24   6.126  -0.030  13.486
  199   2HH1  ARG  24          2HH2      ARG  24   4.770   1.042  13.457
  200   1HH2  ARG  24          2HH1      ARG  24   3.737  -0.370  10.367
  201   2HH2  ARG  24          1HH1      ARG  24   3.264   0.818  11.534
  202    H    LEU  25           H        LEU  25   8.922   1.323   9.066
  203    HA   LEU  25           HA       LEU  25   7.264   1.209   6.704
  204   1HB   LEU  25          2HB       LEU  25   8.032   3.208   8.819
  205   2HB   LEU  25          1HB       LEU  25   7.260   3.731   7.399
  206    HG   LEU  25           HG       LEU  25   5.839   1.430   8.486
  207   1HD1  LEU  25          2HD1      LEU  25   6.285   3.771  10.440
  208   2HD1  LEU  25          1HD1      LEU  25   5.153   2.454  10.708
  209   3HD1  LEU  25          3HD1      LEU  25   6.874   2.139  10.684
  210   1HD2  LEU  25          1HD2      LEU  25   5.017   4.341   8.261
  211   2HD2  LEU  25          3HD2      LEU  25   4.803   3.105   7.030
  212   3HD2  LEU  25          2HD2      LEU  25   3.923   2.996   8.544
  213    H    SER  26           H        SER  26  10.461   1.412   6.840
  214    HA   SER  26           HA       SER  26  10.467   2.956   4.304
  215   1HB   SER  26          2HB       SER  26  11.226   4.357   6.434
  216   2HB   SER  26          1HB       SER  26  12.740   3.508   6.234
  217    HG   SER  26           HG       SER  26  12.027   4.188   3.800
  218    H    PHE  27           H        PHE  27  12.636   1.094   6.456
  219    HA   PHE  27           HA       PHE  27  14.335   0.422   4.199
  220   1HB   PHE  27          2HB       PHE  27  14.245  -1.070   6.839
  221   2HB   PHE  27          1HB       PHE  27  15.392  -1.282   5.577
  222    HD1  PHE  27           HD1      PHE  27  14.704   2.270   5.771
  223    HD2  PHE  27           HD2      PHE  27  16.876  -0.857   7.708
  224    HE1  PHE  27           HE1      PHE  27  16.210   3.908   6.772
  225    HE2  PHE  27           HE2      PHE  27  18.371   0.792   8.684
  226    HZ   PHE  27           HZ       PHE  27  18.049   3.182   8.228
  227    H    CYS  28           H        CYS  28  12.363  -1.619   6.165
  228    HA   CYS  28           HA       CYS  28  12.404  -3.836   4.280
  229   1HB   CYS  28          2HB       CYS  28  11.332  -3.621   7.039
  230   2HB   CYS  28          1HB       CYS  28  11.762  -5.034   6.304
  231    H    ARG  29           H        ARG  29  10.525  -1.563   3.784
  232    HA   ARG  29           HA       ARG  29   7.814  -2.245   4.426
  233   1HB   ARG  29          2HB       ARG  29   9.006  -1.035   1.880
  234   2HB   ARG  29          1HB       ARG  29   7.336  -0.994   2.356
  235   1HG   ARG  29          2HG       ARG  29   7.987   0.264   4.443
  236   2HG   ARG  29          1HG       ARG  29   9.640   0.342   3.865
  237   1HD   ARG  29          2HD       ARG  29   8.497   2.416   3.217
  238   2HD   ARG  29          1HD       ARG  29   8.740   1.480   1.742
  239    HE   ARG  29           HE       ARG  29   6.346   0.617   2.208
  240   1HH1  ARG  29          1HH2      ARG  29   4.991   1.455   3.999
  241   2HH1  ARG  29          2HH2      ARG  29   4.431   3.084   3.776
  242   1HH2  ARG  29          2HH1      ARG  29   6.986   3.607   1.385
  243   2HH2  ARG  29          1HH1      ARG  29   5.685   4.415   2.193
  244    H    LYS  30           H        LYS  30   9.925  -4.318   2.909
  245    HA   LYS  30           HA       LYS  30   8.070  -5.397   0.965
  246   1HB   LYS  30          2HB       LYS  30   9.745  -7.175   0.781
  247   2HB   LYS  30          1HB       LYS  30  10.532  -5.637   0.614
  248   1HG   LYS  30          2HG       LYS  30  12.020  -6.626   2.111
  249   2HG   LYS  30          1HG       LYS  30  10.980  -5.895   3.274
  250   1HD   LYS  30          2HD       LYS  30  10.927  -8.094   4.092
  251   2HD   LYS  30          1HD       LYS  30   9.738  -8.386   2.839
  252   1HE   LYS  30          2HE       LYS  30  12.728  -8.881   2.591
  253   2HE   LYS  30          1HE       LYS  30  11.469 -10.090   2.738
  254   1HZ   LYS  30          3HZ       LYS  30  10.840  -8.451   0.559
  255   2HZ   LYS  30          2HZ       LYS  30  12.461  -8.906   0.415
  256   3HZ   LYS  30          1HZ       LYS  30  11.251 -10.089   0.569
  257    H    THR  31           H        THR  31   8.937  -5.950   4.351
  258    HA   THR  31           HA       THR  31   6.460  -7.506   4.633
  259    HB   THR  31           HB       THR  31   9.031  -8.964   5.011
  260    HG1  THR  31           HG1      THR  31   7.140  -8.902   3.025
  261   1HG2  THR  31          2HG2      THR  31   6.175  -9.964   5.387
  262   2HG2  THR  31          1HG2      THR  31   7.615 -10.963   5.529
  263   3HG2  THR  31          3HG2      THR  31   7.294  -9.708   6.714
  264    H    CYS  32           H        CYS  32   9.579  -7.090   6.148
  265    HA   CYS  32           HA       CYS  32   8.527  -7.203   8.870
  266   1HB   CYS  32          2HB       CYS  32  11.046  -6.576   7.563
  267   2HB   CYS  32          1HB       CYS  32  10.763  -5.508   8.894
  268    H    GLY  33           H        GLY  33   8.885  -4.986   6.440
  269   1HA   GLY  33          2HA       GLY  33   8.420  -2.662   7.919
  270   2HA   GLY  33          1HA       GLY  33   8.517  -2.764   6.186
  271    H    THR  34           H        THR  34   6.329  -4.666   6.381
  272    HA   THR  34           HA       THR  34   3.916  -4.411   7.373
  273    HB   THR  34           HB       THR  34   4.413  -1.745   6.003
  274    HG1  THR  34           HG1      THR  34   4.776  -2.160   8.288
  275   1HG2  THR  34          1HG2      THR  34   1.886  -2.540   5.588
  276   2HG2  THR  34          3HG2      THR  34   1.775  -2.718   7.336
  277   3HG2  THR  34          2HG2      THR  34   2.034  -1.132   6.633
  278    H    CYS  35           H        CYS  35   4.274  -6.337   5.806
  279    HA   CYS  35           HA       CYS  35   2.410  -6.152   3.667
  280   1HB   CYS  35          2HB       CYS  35   5.351  -5.994   3.203
  281   2HB   CYS  35          1HB       CYS  35   4.480  -7.106   2.206
   
  No H/Q in entry =         281
  Start of MODEL   12
    1   1H    ARG   1          3H        ARG   1   2.547   1.990  -1.390
    2   2H    ARG   1          2H        ARG   1   0.925   1.931  -1.891
    3   3H    ARG   1          1H        ARG   1   1.336   1.593  -0.272
    4    HA   ARG   1           HA       ARG   1   1.657  -0.529  -0.708
    5   1HB   ARG   1          2HB       ARG   1   1.065   0.228  -3.627
    6   2HB   ARG   1          1HB       ARG   1   0.888  -1.379  -2.945
    7   1HG   ARG   1          2HG       ARG   1  -0.873  -0.529  -1.387
    8   2HG   ARG   1          1HG       ARG   1  -0.736   1.061  -2.111
    9   1HD   ARG   1          2HD       ARG   1  -1.575  -1.495  -3.552
   10   2HD   ARG   1          1HD       ARG   1  -2.585  -0.097  -3.211
   11    HE   ARG   1           HE       ARG   1  -0.656   1.103  -4.646
   12   1HH1  ARG   1          1HH2      ARG   1   0.072  -1.705  -5.475
   13   2HH1  ARG   1          2HH2      ARG   1  -0.757  -1.855  -6.989
   14   1HH2  ARG   1          1HH1      ARG   1  -2.760   0.941  -6.309
   15   2HH2  ARG   1          2HH1      ARG   1  -2.432  -0.292  -7.482
   16    H    SER   2           H        SER   2   2.761  -1.576  -3.297
   17    HA   SER   2           HA       SER   2   4.902  -2.321  -3.928
   18   1HB   SER   2          2HB       SER   2   6.298  -0.379  -4.856
   19   2HB   SER   2          1HB       SER   2   4.629  -0.353  -5.414
   20    HG   SER   2           HG       SER   2   5.101   0.985  -3.016
   21    H    CYS   3           H        CYS   3   4.617  -2.399  -1.240
   22    HA   CYS   3           HA       CYS   3   6.867  -1.148   0.087
   23   1HB   CYS   3          2HB       CYS   3   5.081  -3.412   1.081
   24   2HB   CYS   3          1HB       CYS   3   6.034  -2.306   2.022
   25    H    ILE   4           H        ILE   4   8.743  -1.792  -0.589
   26    HA   ILE   4           HA       ILE   4   9.564  -4.667  -0.602
   27    HB   ILE   4           HB       ILE   4  11.014  -4.140  -2.603
   28   1HG1  ILE   4          2HG1      ILE   4   9.742  -1.346  -2.595
   29   2HG1  ILE   4          1HG1      ILE   4  11.353  -1.655  -1.984
   30   1HG2  ILE   4          2HG2      ILE   4   8.695  -4.886  -3.067
   31   2HG2  ILE   4          1HG2      ILE   4   8.142  -3.221  -3.067
   32   3HG2  ILE   4          3HG2      ILE   4   9.237  -3.786  -4.315
   33   1HD1  ILE   4          3HD1      ILE   4  12.061  -2.485  -4.225
   34   2HD1  ILE   4          2HD1      ILE   4  10.464  -2.141  -4.871
   35   3HD1  ILE   4          1HD1      ILE   4  11.475  -0.833  -4.293
   36    H    ASP   5           H        ASP   5  12.226  -4.258  -0.859
   37    HA   ASP   5           HA       ASP   5  12.809  -2.410   1.362
   38   1HB   ASP   5          2HB       ASP   5  14.192  -3.963   2.365
   39   2HB   ASP   5          1HB       ASP   5  12.614  -4.615   2.076
   40    H    THR   6           H        THR   6  14.825  -1.677   1.683
   41    HA   THR   6           HA       THR   6  16.510  -1.449  -0.781
   42    HB   THR   6           HB       THR   6  16.938  -0.096   1.978
   43    HG1  THR   6           HG1      THR   6  15.791   1.377  -0.007
   44   1HG2  THR   6          2HG2      THR   6  17.644   0.828  -0.887
   45   2HG2  THR   6          1HG2      THR   6  18.055   1.646   0.621
   46   3HG2  THR   6          3HG2      THR   6  18.813   0.119   0.211
   47    H    ILE   7           H        ILE   7  16.317  -2.637   2.398
   48    HA   ILE   7           HA       ILE   7  18.356  -4.693   2.169
   49    HB   ILE   7           HB       ILE   7  19.419  -4.105   4.295
   50   1HG1  ILE   7          2HG1      ILE   7  18.852  -1.623   5.043
   51   2HG1  ILE   7          1HG1      ILE   7  17.330  -2.003   4.250
   52   1HG2  ILE   7          2HG2      ILE   7  20.376  -3.065   2.250
   53   2HG2  ILE   7          1HG2      ILE   7  19.329  -1.672   2.467
   54   3HG2  ILE   7          3HG2      ILE   7  20.573  -2.017   3.650
   55   1HD1  ILE   7          3HD1      ILE   7  18.502  -3.717   6.455
   56   2HD1  ILE   7          2HD1      ILE   7  17.289  -2.469   6.740
   57   3HD1  ILE   7          1HD1      ILE   7  16.906  -3.875   5.802
   58    HA   PRO   8           HA       PRO   8  14.698  -5.855   4.707
   59   1HB   PRO   8          2HB       PRO   8  14.489  -8.419   4.110
   60   2HB   PRO   8          1HB       PRO   8  14.896  -7.370   2.783
   61   1HG   PRO   8          2HG       PRO   8  16.970  -8.973   4.252
   62   2HG   PRO   8          1HG       PRO   8  16.673  -8.835   2.525
   63   1HD   PRO   8          2HD       PRO   8  18.324  -7.114   4.143
   64   2HD   PRO   8          1HD       PRO   8  17.942  -6.871   2.414
   65    H    LYS   9           H        LYS   9  15.183  -8.480   5.662
   66    HA   LYS   9           HA       LYS   9  15.354  -8.564   8.289
   67   1HB   LYS   9          2HB       LYS   9  15.118 -10.381   6.452
   68   2HB   LYS   9          1HB       LYS   9  16.850 -10.396   6.412
   69   1HG   LYS   9          2HG       LYS   9  16.607 -12.172   7.871
   70   2HG   LYS   9          1HG       LYS   9  16.610 -10.897   9.065
   71   1HD   LYS   9          2HD       LYS   9  14.110 -12.132   7.821
   72   2HD   LYS   9          1HD       LYS   9  14.745 -12.531   9.404
   73   1HE   LYS   9          2HE       LYS   9  14.431 -10.135  10.101
   74   2HE   LYS   9          1HE       LYS   9  13.695  -9.805   8.541
   75   1HZ   LYS   9          1HZ       LYS   9  12.465 -12.067   9.590
   76   2HZ   LYS   9          3HZ       LYS   9  12.521 -10.884  10.809
   77   3HZ   LYS   9          2HZ       LYS   9  11.807 -10.526   9.312
   78    H    SER  10           H        SER  10  17.951  -8.275   6.068
   79    HA   SER  10           HA       SER  10  20.202  -8.775   7.611
   80   1HB   SER  10          2HB       SER  10  19.884  -6.484   5.601
   81   2HB   SER  10          1HB       SER  10  21.358  -7.438   5.888
   82    HG   SER  10           HG       SER  10  20.500  -9.051   4.779
   83    H    ARG  11           H        ARG  11  18.276  -5.902   7.859
   84    HA   ARG  11           HA       ARG  11  19.810  -5.217  10.305
   85   1HB   ARG  11          2HB       ARG  11  18.940  -3.097   8.272
   86   2HB   ARG  11          1HB       ARG  11  19.963  -2.951   9.645
   87   1HG   ARG  11          2HG       ARG  11  21.819  -4.094   8.644
   88   2HG   ARG  11          1HG       ARG  11  20.831  -4.725   7.351
   89   1HD   ARG  11          2HD       ARG  11  22.152  -2.865   6.491
   90   2HD   ARG  11          1HD       ARG  11  20.453  -2.443   6.463
   91    HE   ARG  11           HE       ARG  11  21.724  -1.538   8.927
   92   1HH1  ARG  11          2HH1      ARG  11  23.071  -0.907   6.214
   93   2HH1  ARG  11          1HH1      ARG  11  22.541   0.713   5.921
   94   1HH2  ARG  11          1HH2      ARG  11  20.129   0.498   8.497
   95   2HH2  ARG  11          2HH2      ARG  11  20.805   1.550   7.309
   96    H    CYS  12           H        CYS  12  17.490  -6.700   9.749
   97    HA   CYS  12           HA       CYS  12  15.453  -5.017  11.034
   98   1HB   CYS  12          2HB       CYS  12  15.327  -6.226   8.398
   99   2HB   CYS  12          1HB       CYS  12  14.082  -6.660   9.503
  100    H    THR  13           H        THR  13  14.829  -6.070  12.761
  101    HA   THR  13           HA       THR  13  14.439  -8.996  12.641
  102    HB   THR  13           HB       THR  13  15.824  -9.185  14.787
  103    HG1  THR  13           HG1      THR  13  16.606  -7.284  15.599
  104   1HG2  THR  13          2HG2      THR  13  16.992  -8.951  12.417
  105   2HG2  THR  13          1HG2      THR  13  17.182  -7.258  12.772
  106   3HG2  THR  13          3HG2      THR  13  18.025  -8.432  13.744
  107    H    ALA  14           H        ALA  14  13.014  -9.517  14.727
  108    HA   ALA  14           HA       ALA  14  10.746  -7.839  14.595
  109   1HB   ALA  14          3HB       ALA  14  11.621  -9.655  16.942
  110   2HB   ALA  14          2HB       ALA  14   9.993  -9.047  16.709
  111   3HB   ALA  14          1HB       ALA  14  10.670 -10.182  15.556
  112    H    PHE  15           H        PHE  15  13.606  -7.198  16.082
  113    HA   PHE  15           HA       PHE  15  12.457  -5.276  18.014
  114   1HB   PHE  15          2HB       PHE  15  14.489  -6.661  18.647
  115   2HB   PHE  15          1HB       PHE  15  15.385  -5.953  17.314
  116    HD1  PHE  15           HD2      PHE  15  15.699  -3.369  17.328
  117    HD2  PHE  15           HD1      PHE  15  14.388  -5.556  20.742
  118    HE1  PHE  15           HE2      PHE  15  16.328  -1.493  18.774
  119    HE2  PHE  15           HE1      PHE  15  15.020  -3.679  22.181
  120    HZ   PHE  15           HZ       PHE  15  15.991  -1.643  21.203
  121    H    GLN  16           H        GLN  16  14.804  -5.234  15.261
  122    HA   GLN  16           HA       GLN  16  14.438  -2.329  15.043
  123   1HB   GLN  16          2HB       GLN  16  15.689  -4.236  12.978
  124   2HB   GLN  16          1HB       GLN  16  15.870  -2.491  13.009
  125   1HG   GLN  16          2HG       GLN  16  16.668  -2.897  15.499
  126   2HG   GLN  16          1HG       GLN  16  16.924  -4.545  14.969
  127   1HE2  GLN  16          2HE2      GLN  16  20.130  -2.739  14.628
  128   2HE2  GLN  16          1HE2      GLN  16  19.084  -3.071  15.929
  129    H    CYS  17           H        CYS  17  12.505  -4.905  14.009
  130    HA   CYS  17           HA       CYS  17  11.338  -3.422  11.747
  131   1HB   CYS  17          2HB       CYS  17  10.655  -6.152  12.925
  132   2HB   CYS  17          1HB       CYS  17  10.046  -5.505  11.418
  133    H    LYS  18           H        LYS  18  10.350  -4.437  15.068
  134    HA   LYS  18           HA       LYS  18   7.765  -3.088  14.635
  135   1HB   LYS  18          2HB       LYS  18   8.946  -4.776  16.868
  136   2HB   LYS  18          1HB       LYS  18   7.384  -4.013  16.942
  137   1HG   LYS  18          2HG       LYS  18   6.627  -5.247  14.926
  138   2HG   LYS  18          1HG       LYS  18   8.220  -5.933  14.725
  139   1HD   LYS  18          2HD       LYS  18   6.740  -7.597  15.804
  140   2HD   LYS  18          1HD       LYS  18   8.032  -7.133  16.884
  141   1HE   LYS  18          2HE       LYS  18   5.789  -7.257  18.023
  142   2HE   LYS  18          1HE       LYS  18   6.497  -5.660  18.155
  143   1HZ   LYS  18          1HZ       LYS  18   5.003  -5.786  15.782
  144   2HZ   LYS  18          3HZ       LYS  18   4.037  -6.379  17.046
  145   3HZ   LYS  18          2HZ       LYS  18   4.720  -4.831  17.155
  146    H    HIS  19           H        HIS  19  10.843  -2.507  16.171
  147    HA   HIS  19           HA       HIS  19   9.774  -0.279  17.721
  148   1HB   HIS  19          2HB       HIS  19  12.584  -1.415  17.542
  149   2HB   HIS  19          1HB       HIS  19  11.917  -0.314  18.728
  150    HD1  HIS  19           HD1      HIS  19   9.418  -2.429  18.260
  151    HD2  HIS  19           HD2      HIS  19  13.025  -2.816  20.101
  152    HE1  HIS  19           HE1      HIS  19   9.214  -4.272  19.732
  153    H    SER  20           H        SER  20  12.254  -0.775  15.070
  154    HA   SER  20           HA       SER  20  12.450   2.165  14.902
  155   1HB   SER  20          2HB       SER  20  13.834  -0.094  13.343
  156   2HB   SER  20          1HB       SER  20  14.316   1.596  13.429
  157    HG   SER  20           HG       SER  20  13.844   0.712  15.903
  158    H    MET  21           H        MET  21  10.312   2.536  14.371
  159    HA   MET  21           HA       MET  21   8.719   1.453  12.381
  160   1HB   MET  21          2HB       MET  21   9.129   4.396  13.109
  161   2HB   MET  21          1HB       MET  21   7.796   3.801  12.137
  162   1HG   MET  21          2HG       MET  21   6.805   2.702  13.887
  163   2HG   MET  21          1HG       MET  21   8.277   2.358  14.734
  164   1HE   MET  21          3HE       MET  21   9.254   3.503  16.485
  165   2HE   MET  21          2HE       MET  21   9.723   4.928  15.524
  166   3HE   MET  21          1HE       MET  21   8.885   5.107  17.056
  167    H    LYS  22           H        LYS  22  11.059   4.114  11.667
  168    HA   LYS  22           HA       LYS  22  10.596   3.993   8.873
  169   1HB   LYS  22          2HB       LYS  22  13.276   4.489  10.264
  170   2HB   LYS  22          1HB       LYS  22  13.056   4.663   8.545
  171   1HG   LYS  22          2HG       LYS  22  11.243   6.420   9.069
  172   2HG   LYS  22          1HG       LYS  22  11.826   6.387  10.727
  173   1HD   LYS  22          2HD       LYS  22  14.146   6.941   9.939
  174   2HD   LYS  22          1HD       LYS  22  13.597   6.868   8.277
  175   1HE   LYS  22          2HE       LYS  22  13.700   9.204   8.934
  176   2HE   LYS  22          1HE       LYS  22  12.013   8.770   8.739
  177   1HZ   LYS  22          1HZ       LYS  22  12.798   8.228  11.385
  178   2HZ   LYS  22          3HZ       LYS  22  13.268   9.807  10.988
  179   3HZ   LYS  22          2HZ       LYS  22  11.643   9.342  10.830
  180    H    TYR  23           H        TYR  23  12.318   1.741  10.784
  181    HA   TYR  23           HA       TYR  23  13.706   0.502   8.555
  182   1HB   TYR  23          2HB       TYR  23  13.377   0.002  11.456
  183   2HB   TYR  23          1HB       TYR  23  13.613  -1.451  10.588
  184    HD1  TYR  23           HD1      TYR  23  14.890   2.121  10.477
  185    HD2  TYR  23           HD2      TYR  23  15.871  -2.013  10.376
  186    HE1  TYR  23           HE1      TYR  23  17.277   2.685  10.300
  187    HE2  TYR  23           HE2      TYR  23  18.244  -1.449  10.210
  188    HH   TYR  23           HH       TYR  23  19.648   0.643  10.963
  189    H    ARG  24           H        ARG  24  10.537   0.028  10.043
  190    HA   ARG  24           HA       ARG  24  10.119  -2.315   8.256
  191   1HB   ARG  24          2HB       ARG  24   8.419  -2.808   9.889
  192   2HB   ARG  24          1HB       ARG  24   9.412  -1.836  10.842
  193   1HG   ARG  24          2HG       ARG  24   7.657  -0.807  11.472
  194   2HG   ARG  24          1HG       ARG  24   7.925   0.208  10.098
  195   1HD   ARG  24          2HD       ARG  24   5.902  -0.551   9.057
  196   2HD   ARG  24          1HD       ARG  24   6.243  -2.173   9.494
  197    HE   ARG  24           HE       ARG  24   5.437  -1.935  11.600
  198   1HH1  ARG  24          2HH1      ARG  24   5.595   0.035  13.080
  199   2HH1  ARG  24          1HH1      ARG  24   4.387   1.238  12.795
  200   1HH2  ARG  24          1HH2      ARG  24   3.718  -0.145   9.600
  201   2HH2  ARG  24          2HH2      ARG  24   3.218   1.096  10.692
  202    H    LEU  25           H        LEU  25   9.053   0.979   8.823
  203    HA   LEU  25           HA       LEU  25   7.217   1.182   6.614
  204   1HB   LEU  25          2HB       LEU  25   8.142   2.835   8.929
  205   2HB   LEU  25          1HB       LEU  25   7.528   3.664   7.566
  206    HG   LEU  25           HG       LEU  25   5.841   1.346   8.482
  207   1HD1  LEU  25          1HD1      LEU  25   6.084   3.900  10.158
  208   2HD1  LEU  25          3HD1      LEU  25   4.910   2.617  10.397
  209   3HD1  LEU  25          2HD1      LEU  25   6.613   2.300  10.662
  210   1HD2  LEU  25          1HD2      LEU  25   5.124   2.922   6.703
  211   2HD2  LEU  25          3HD2      LEU  25   4.032   2.936   8.057
  212   3HD2  LEU  25          2HD2      LEU  25   5.173   4.256   7.846
  213    H    SER  26           H        SER  26  10.466   1.172   6.558
  214    HA   SER  26           HA       SER  26  10.434   2.858   4.120
  215   1HB   SER  26          2HB       SER  26  11.149   4.166   6.432
  216   2HB   SER  26          1HB       SER  26  12.722   3.540   5.947
  217    HG   SER  26           HG       SER  26  11.134   5.407   4.721
  218    H    PHE  27           H        PHE  27  12.801   1.122   6.239
  219    HA   PHE  27           HA       PHE  27  14.338   0.430   3.850
  220   1HB   PHE  27          2HB       PHE  27  14.660  -0.752   6.672
  221   2HB   PHE  27          1HB       PHE  27  15.718  -0.967   5.329
  222    HD1  PHE  27           HD2      PHE  27  14.167   2.056   7.060
  223    HD2  PHE  27           HD1      PHE  27  17.652   0.305   5.364
  224    HE1  PHE  27           HE2      PHE  27  15.438   4.045   7.641
  225    HE2  PHE  27           HE1      PHE  27  18.927   2.307   5.949
  226    HZ   PHE  27           HZ       PHE  27  17.829   4.187   7.095
  227    H    CYS  28           H        CYS  28  12.551  -1.669   6.152
  228    HA   CYS  28           HA       CYS  28  12.536  -3.800   4.170
  229   1HB   CYS  28          2HB       CYS  28  11.692  -3.731   7.025
  230   2HB   CYS  28          1HB       CYS  28  11.894  -5.102   6.144
  231    H    ARG  29           H        ARG  29  10.697  -1.876   3.567
  232    HA   ARG  29           HA       ARG  29   7.999  -2.550   4.397
  233   1HB   ARG  29          2HB       ARG  29   8.545  -1.618   1.588
  234   2HB   ARG  29          1HB       ARG  29   7.420  -0.973   2.762
  235   1HG   ARG  29          2HG       ARG  29   9.446  -0.014   4.035
  236   2HG   ARG  29          1HG       ARG  29  10.406  -0.387   2.600
  237   1HD   ARG  29          2HD       ARG  29   9.661   1.884   2.407
  238   2HD   ARG  29          1HD       ARG  29   8.800   0.918   1.222
  239    HE   ARG  29           HE       ARG  29   7.325   0.940   3.694
  240   1HH1  ARG  29          2HH1      ARG  29   6.589   1.404   0.805
  241   2HH1  ARG  29          1HH1      ARG  29   5.933   3.005   0.827
  242   1HH2  ARG  29          1HH2      ARG  29   7.348   3.483   4.056
  243   2HH2  ARG  29          2HH2      ARG  29   6.373   4.287   2.873
  244    H    LYS  30           H        LYS  30  10.307  -4.298   2.763
  245    HA   LYS  30           HA       LYS  30   8.661  -5.807   0.972
  246   1HB   LYS  30          2HB       LYS  30  10.527  -7.489   1.075
  247   2HB   LYS  30          1HB       LYS  30  11.075  -5.882   0.721
  248   1HG   LYS  30          2HG       LYS  30  12.640  -6.593   2.326
  249   2HG   LYS  30          1HG       LYS  30  11.518  -5.673   3.302
  250   1HD   LYS  30          2HD       LYS  30  12.295  -7.656   4.396
  251   2HD   LYS  30          1HD       LYS  30  10.576  -7.713   4.196
  252   1HE   LYS  30          2HE       LYS  30  10.965  -9.220   2.146
  253   2HE   LYS  30          1HE       LYS  30  12.683  -9.173   2.505
  254   1HZ   LYS  30          2HZ       LYS  30  11.270  -9.877   4.837
  255   2HZ   LYS  30          1HZ       LYS  30  10.745 -10.864   3.560
  256   3HZ   LYS  30          3HZ       LYS  30  12.390 -10.796   3.952
  257    H    THR  31           H        THR  31   9.112  -5.975   4.439
  258    HA   THR  31           HA       THR  31   6.829  -7.699   4.664
  259    HB   THR  31           HB       THR  31   9.277  -9.198   4.077
  260    HG1  THR  31           HG1      THR  31   7.426  -9.375   2.941
  261   1HG2  THR  31          3HG2      THR  31   7.431 -10.286   6.267
  262   2HG2  THR  31          2HG2      THR  31   8.742 -11.171   5.504
  263   3HG2  THR  31          1HG2      THR  31   9.101  -9.838   6.588
  264    H    CYS  32           H        CYS  32   9.886  -6.833   6.150
  265    HA   CYS  32           HA       CYS  32   9.024  -7.616   8.818
  266   1HB   CYS  32          2HB       CYS  32  11.216  -6.044   7.725
  267   2HB   CYS  32          1HB       CYS  32  10.639  -5.348   9.166
  268    H    GLY  33           H        GLY  33   8.614  -4.906   6.791
  269   1HA   GLY  33          2HA       GLY  33   6.889  -3.803   8.901
  270   2HA   GLY  33          1HA       GLY  33   7.903  -2.787   7.885
  271    H    THR  34           H        THR  34   7.341  -3.745   5.484
  272    HA   THR  34           HA       THR  34   5.862  -3.218   3.745
  273    HB   THR  34           HB       THR  34   5.431  -5.373   4.271
  274    HG1  THR  34           HG1      THR  34   3.196  -3.751   3.797
  275   1HG2  THR  34          3HG2      THR  34   3.340  -4.426   6.350
  276   2HG2  THR  34          2HG2      THR  34   3.463  -6.109   5.860
  277   3HG2  THR  34          1HG2      THR  34   4.761  -5.365   6.745
  278    H    CYS  35           H        CYS  35   6.145  -1.109   4.990
  279    HA   CYS  35           HA       CYS  35   5.454   0.966   5.241
  280   1HB   CYS  35          2HB       CYS  35   2.914  -0.006   3.920
  281   2HB   CYS  35          1HB       CYS  35   3.649   1.567   4.029
   
  No H/Q in entry =         281
  Start of MODEL   13
    1   1H    ARG   1          2H        ARG   1   2.370   1.894  -5.003
    2   2H    ARG   1          1H        ARG   1   1.540   2.818  -3.835
    3   3H    ARG   1          3H        ARG   1   3.063   3.320  -4.385
    4    HA   ARG   1           HA       ARG   1   4.031   2.200  -2.784
    5   1HB   ARG   1          2HB       ARG   1   1.165   1.449  -2.200
    6   2HB   ARG   1          1HB       ARG   1   2.434   0.712  -1.259
    7   1HG   ARG   1          2HG       ARG   1   1.515   2.725  -0.140
    8   2HG   ARG   1          1HG       ARG   1   3.217   2.943  -0.493
    9   1HD   ARG   1          2HD       ARG   1   1.830   4.961  -1.035
   10   2HD   ARG   1          1HD       ARG   1   2.550   4.328  -2.510
   11    HE   ARG   1           HE       ARG   1   0.292   3.113  -2.819
   12   1HH1  ARG   1          1HH2      ARG   1  -1.442   3.577  -0.890
   13   2HH1  ARG   1          2HH2      ARG   1  -2.160   5.139  -1.134
   14   1HH2  ARG   1          1HH1      ARG   1   0.459   6.123  -3.250
   15   2HH2  ARG   1          2HH1      ARG   1  -1.028   6.652  -2.530
   16    H    SER   2           H        SER   2   5.417   0.644  -3.232
   17    HA   SER   2           HA       SER   2   4.446  -2.004  -4.190
   18   1HB   SER   2          2HB       SER   2   6.767  -2.058  -5.349
   19   2HB   SER   2          1HB       SER   2   5.714  -0.776  -5.969
   20    HG   SER   2           HG       SER   2   7.464  -0.423  -3.746
   21    H    CYS   3           H        CYS   3   5.036  -3.667  -2.766
   22    HA   CYS   3           HA       CYS   3   6.453  -2.891  -0.333
   23   1HB   CYS   3          2HB       CYS   3   5.239  -5.474  -1.314
   24   2HB   CYS   3          1HB       CYS   3   6.188  -5.417   0.135
   25    H    ILE   4           H        ILE   4   8.542  -2.564  -0.509
   26    HA   ILE   4           HA       ILE   4  10.300  -4.769  -1.262
   27    HB   ILE   4           HB       ILE   4  11.685  -3.203  -2.773
   28   1HG1  ILE   4          2HG1      ILE   4   9.296  -1.313  -2.443
   29   2HG1  ILE   4          1HG1      ILE   4  10.888  -1.043  -1.781
   30   1HG2  ILE   4          2HG2      ILE   4  10.040  -4.753  -3.833
   31   2HG2  ILE   4          1HG2      ILE   4   8.800  -3.516  -3.724
   32   3HG2  ILE   4          3HG2      ILE   4  10.188  -3.281  -4.768
   33   1HD1  ILE   4          3HD1      ILE   4  11.841  -0.966  -4.091
   34   2HD1  ILE   4          2HD1      ILE   4  10.230  -1.172  -4.772
   35   3HD1  ILE   4          1HD1      ILE   4  10.614   0.261  -3.841
   36    H    ASP   5           H        ASP   5  12.483  -4.236  -0.740
   37    HA   ASP   5           HA       ASP   5  12.687  -2.429   1.600
   38   1HB   ASP   5          2HB       ASP   5  14.105  -4.073   2.645
   39   2HB   ASP   5          1HB       ASP   5  12.566  -4.745   2.207
   40    H    THR   6           H        THR   6  14.734  -1.492   1.965
   41    HA   THR   6           HA       THR   6  16.447  -1.278  -0.488
   42    HB   THR   6           HB       THR   6  17.087   0.100   2.206
   43    HG1  THR   6           HG1      THR   6  15.225   1.133   1.915
   44   1HG2  THR   6          1HG2      THR   6  18.598   0.378   0.083
   45   2HG2  THR   6          3HG2      THR   6  17.194   1.088  -0.709
   46   3HG2  THR   6          2HG2      THR   6  17.904   1.873   0.691
   47    H    ILE   7           H        ILE   7  16.216  -2.405   2.714
   48    HA   ILE   7           HA       ILE   7  18.289  -4.420   2.488
   49    HB   ILE   7           HB       ILE   7  19.345  -3.793   4.607
   50   1HG1  ILE   7          2HG1      ILE   7  18.727  -1.361   5.392
   51   2HG1  ILE   7          1HG1      ILE   7  17.225  -1.738   4.563
   52   1HG2  ILE   7          2HG2      ILE   7  20.289  -2.735   2.576
   53   2HG2  ILE   7          1HG2      ILE   7  19.210  -1.366   2.769
   54   3HG2  ILE   7          3HG2      ILE   7  20.447  -1.675   3.968
   55   1HD1  ILE   7          3HD1      ILE   7  18.398  -3.530   6.693
   56   2HD1  ILE   7          2HD1      ILE   7  17.196  -2.293   7.055
   57   3HD1  ILE   7          1HD1      ILE   7  16.793  -3.666   6.080
   58    HA   PRO   8           HA       PRO   8  14.520  -5.585   4.828
   59   1HB   PRO   8          2HB       PRO   8  14.328  -8.117   4.159
   60   2HB   PRO   8          1HB       PRO   8  14.715  -7.027   2.870
   61   1HG   PRO   8          2HG       PRO   8  16.774  -8.743   4.261
   62   2HG   PRO   8          1HG       PRO   8  16.539  -8.436   2.545
   63   1HD   PRO   8          2HD       PRO   8  18.115  -6.887   4.411
   64   2HD   PRO   8          1HD       PRO   8  17.895  -6.539   2.677
   65    H    LYS   9           H        LYS   9  15.060  -8.267   5.642
   66    HA   LYS   9           HA       LYS   9  15.179  -8.402   8.331
   67   1HB   LYS   9          2HB       LYS   9  14.723 -10.086   6.474
   68   2HB   LYS   9          1HB       LYS   9  16.458 -10.271   6.393
   69   1HG   LYS   9          2HG       LYS   9  16.637 -11.118   8.640
   70   2HG   LYS   9          1HG       LYS   9  14.993 -10.637   9.033
   71   1HD   LYS   9          2HD       LYS   9  14.087 -12.266   7.405
   72   2HD   LYS   9          1HD       LYS   9  15.714 -12.740   6.944
   73   1HE   LYS   9          2HE       LYS   9  16.165 -13.571   9.209
   74   2HE   LYS   9          1HE       LYS   9  14.605 -12.985   9.772
   75   1HZ   LYS   9          1HZ       LYS   9  14.186 -14.592   7.507
   76   2HZ   LYS   9          3HZ       LYS   9  15.189 -15.441   8.584
   77   3HZ   LYS   9          2HZ       LYS   9  13.689 -14.839   9.108
   78    H    SER  10           H        SER  10  17.747  -8.153   6.057
   79    HA   SER  10           HA       SER  10  19.968  -8.854   7.587
   80   1HB   SER  10          2HB       SER  10  19.852  -6.466   5.654
   81   2HB   SER  10          1HB       SER  10  21.202  -7.599   5.876
   82    HG   SER  10           HG       SER  10  20.186  -8.941   4.558
   83    H    ARG  11           H        ARG  11  18.129  -5.879   7.808
   84    HA   ARG  11           HA       ARG  11  19.639  -5.297  10.312
   85   1HB   ARG  11          2HB       ARG  11  18.626  -3.033   8.565
   86   2HB   ARG  11          1HB       ARG  11  19.841  -3.078   9.779
   87   1HG   ARG  11          2HG       ARG  11  21.436  -4.334   8.431
   88   2HG   ARG  11          1HG       ARG  11  20.290  -4.481   7.123
   89   1HD   ARG  11          2HD       ARG  11  21.854  -2.606   6.649
   90   2HD   ARG  11          1HD       ARG  11  20.229  -1.981   6.872
   91    HE   ARG  11           HE       ARG  11  22.018  -2.027   9.250
   92   1HH1  ARG  11          1HH2      ARG  11  19.624  -0.510   9.459
   93   2HH1  ARG  11          2HH2      ARG  11  20.049   1.095   9.030
   94   1HH2  ARG  11          2HH1      ARG  11  23.022  -0.028   7.499
   95   2HH2  ARG  11          1HH1      ARG  11  22.086   1.397   7.834
   96    H    CYS  12           H        CYS  12  17.218  -6.723   9.540
   97    HA   CYS  12           HA       CYS  12  15.239  -5.188  11.103
   98   1HB   CYS  12          2HB       CYS  12  14.938  -6.272   8.430
   99   2HB   CYS  12          1HB       CYS  12  13.802  -6.823   9.596
  100    H    THR  13           H        THR  13  15.041  -6.277  12.855
  101    HA   THR  13           HA       THR  13  14.443  -9.187  12.762
  102    HB   THR  13           HB       THR  13  16.066  -9.331  14.782
  103    HG1  THR  13           HG1      THR  13  17.306  -7.085  14.444
  104   1HG2  THR  13          3HG2      THR  13  16.804  -9.468  12.221
  105   2HG2  THR  13          2HG2      THR  13  17.222  -7.792  12.324
  106   3HG2  THR  13          1HG2      THR  13  18.118  -8.950  13.272
  107    H    ALA  14           H        ALA  14  13.085  -9.594  14.830
  108    HA   ALA  14           HA       ALA  14  10.918  -7.866  14.908
  109   1HB   ALA  14          2HB       ALA  14  10.992 -10.049  16.179
  110   2HB   ALA  14          1HB       ALA  14  12.100  -9.336  17.341
  111   3HB   ALA  14          3HB       ALA  14  10.453  -8.742  17.221
  112    H    PHE  15           H        PHE  15  13.925  -7.494  16.432
  113    HA   PHE  15           HA       PHE  15  13.155  -5.282  18.112
  114   1HB   PHE  15          2HB       PHE  15  15.381  -6.852  18.096
  115   2HB   PHE  15          1HB       PHE  15  16.002  -5.638  17.004
  116    HD1  PHE  15           HD1      PHE  15  14.869  -6.304  20.438
  117    HD2  PHE  15           HD2      PHE  15  16.568  -3.378  17.844
  118    HE1  PHE  15           HE1      PHE  15  15.477  -4.938  22.379
  119    HE2  PHE  15           HE2      PHE  15  17.177  -2.021  19.787
  120    HZ   PHE  15           HZ       PHE  15  16.635  -2.793  22.063
  121    H    GLN  16           H        GLN  16  14.701  -5.244  14.853
  122    HA   GLN  16           HA       GLN  16  14.166  -2.276  14.934
  123   1HB   GLN  16          2HB       GLN  16  15.425  -3.728  12.551
  124   2HB   GLN  16          1HB       GLN  16  15.401  -2.031  12.940
  125   1HG   GLN  16          2HG       GLN  16  16.636  -2.625  15.127
  126   2HG   GLN  16          1HG       GLN  16  16.977  -4.164  14.372
  127   1HE2  GLN  16          2HE2      GLN  16  19.530  -2.867  12.318
  128   2HE2  GLN  16          1HE2      GLN  16  18.598  -4.226  12.732
  129    H    CYS  17           H        CYS  17  12.656  -5.068  13.903
  130    HA   CYS  17           HA       CYS  17  11.156  -3.960  11.650
  131   1HB   CYS  17          2HB       CYS  17  11.779  -6.437  12.107
  132   2HB   CYS  17          1HB       CYS  17  10.599  -6.416  13.392
  133    H    LYS  18           H        LYS  18  10.888  -4.333  15.218
  134    HA   LYS  18           HA       LYS  18   8.316  -2.878  15.060
  135   1HB   LYS  18          2HB       LYS  18   9.509  -4.755  17.102
  136   2HB   LYS  18          1HB       LYS  18   8.167  -3.720  17.413
  137   1HG   LYS  18          2HG       LYS  18   7.706  -5.070  14.861
  138   2HG   LYS  18          1HG       LYS  18   8.179  -6.273  16.036
  139   1HD   LYS  18          2HD       LYS  18   5.957  -4.211  16.442
  140   2HD   LYS  18          1HD       LYS  18   5.693  -5.877  15.973
  141   1HE   LYS  18          2HE       LYS  18   6.653  -6.692  18.082
  142   2HE   LYS  18          1HE       LYS  18   7.113  -5.072  18.570
  143   1HZ   LYS  18          3HZ       LYS  18   4.383  -5.077  17.930
  144   2HZ   LYS  18          2HZ       LYS  18   4.695  -6.357  19.000
  145   3HZ   LYS  18          1HZ       LYS  18   5.129  -4.770  19.425
  146    H    HIS  19           H        HIS  19  11.521  -2.724  16.814
  147    HA   HIS  19           HA       HIS  19  10.572  -0.450  18.296
  148   1HB   HIS  19          2HB       HIS  19  13.381  -1.558  18.014
  149   2HB   HIS  19          1HB       HIS  19  12.739  -0.455  19.200
  150    HD1  HIS  19           HD1      HIS  19  10.194  -2.556  18.946
  151    HD2  HIS  19           HD2      HIS  19  13.961  -3.003  20.435
  152    HE1  HIS  19           HE1      HIS  19  10.115  -4.396  20.436
  153    H    SER  20           H        SER  20  11.535  -0.539  14.990
  154    HA   SER  20           HA       SER  20  12.242   2.310  15.192
  155   1HB   SER  20          2HB       SER  20  13.574   0.022  13.682
  156   2HB   SER  20          1HB       SER  20  13.911   1.731  13.453
  157    HG   SER  20           HG       SER  20  13.871   1.287  16.088
  158    H    MET  21           H        MET  21  10.250   3.110  14.353
  159    HA   MET  21           HA       MET  21   8.692   1.763  12.414
  160   1HB   MET  21          2HB       MET  21   8.889   4.795  12.870
  161   2HB   MET  21          1HB       MET  21   7.561   3.986  12.085
  162   1HG   MET  21          2HG       MET  21   6.908   4.499  14.321
  163   2HG   MET  21          1HG       MET  21   7.059   2.773  14.201
  164   1HE   MET  21          1HE       MET  21   8.758   1.368  15.096
  165   2HE   MET  21          3HE       MET  21   9.637   1.710  16.559
  166   3HE   MET  21          2HE       MET  21   7.878   1.629  16.609
  167    H    LYS  22           H        LYS  22  11.305   4.020  11.939
  168    HA   LYS  22           HA       LYS  22  10.781   4.262   9.089
  169   1HB   LYS  22          2HB       LYS  22  12.344   5.718  10.767
  170   2HB   LYS  22          1HB       LYS  22  13.577   4.557  10.333
  171   1HG   LYS  22          2HG       LYS  22  12.035   5.947   8.124
  172   2HG   LYS  22          1HG       LYS  22  13.262   6.848   8.982
  173   1HD   LYS  22          2HD       LYS  22  14.999   5.316   8.280
  174   2HD   LYS  22          1HD       LYS  22  13.851   4.154   7.670
  175   1HE   LYS  22          2HE       LYS  22  14.789   5.460   5.800
  176   2HE   LYS  22          1HE       LYS  22  13.075   5.795   5.954
  177   1HZ   LYS  22          2HZ       LYS  22  14.482   7.615   7.566
  178   2HZ   LYS  22          1HZ       LYS  22  15.173   7.612   6.025
  179   3HZ   LYS  22          3HZ       LYS  22  13.514   7.922   6.208
  180    H    TYR  23           H        TYR  23  12.112   1.773  10.993
  181    HA   TYR  23           HA       TYR  23  13.613   0.573   8.815
  182   1HB   TYR  23          2HB       TYR  23  12.910  -0.116  11.647
  183   2HB   TYR  23          1HB       TYR  23  13.191  -1.486  10.663
  184    HD1  TYR  23           HD1      TYR  23  14.589   1.917  11.383
  185    HD2  TYR  23           HD2      TYR  23  15.455  -2.136  10.385
  186    HE1  TYR  23           HE1      TYR  23  16.983   2.367  11.607
  187    HE2  TYR  23           HE2      TYR  23  17.835  -1.668  10.618
  188    HH   TYR  23           HH       TYR  23  19.130   0.159  12.083
  189    H    ARG  24           H        ARG  24  10.580  -0.218  10.498
  190    HA   ARG  24           HA       ARG  24   9.879  -2.159   8.457
  191   1HB   ARG  24          2HB       ARG  24   7.826  -2.241   9.746
  192   2HB   ARG  24          1HB       ARG  24   9.107  -2.143  10.891
  193   1HG   ARG  24          2HG       ARG  24   7.914  -0.517  11.868
  194   2HG   ARG  24          1HG       ARG  24   8.514   0.524  10.600
  195   1HD   ARG  24          2HD       ARG  24   6.129   0.742  10.411
  196   2HD   ARG  24          1HD       ARG  24   6.513  -0.468   9.184
  197    HE   ARG  24           HE       ARG  24   5.381  -1.045  11.879
  198   1HH1  ARG  24          2HH1      ARG  24   6.984  -3.214  11.394
  199   2HH1  ARG  24          1HH1      ARG  24   6.139  -4.288  10.321
  200   1HH2  ARG  24          1HH2      ARG  24   3.880  -1.667   9.492
  201   2HH2  ARG  24          2HH2      ARG  24   4.225  -3.337   9.198
  202    H    LEU  25           H        LEU  25   8.985   1.380   8.852
  203    HA   LEU  25           HA       LEU  25   7.230   1.280   6.573
  204   1HB   LEU  25          2HB       LEU  25   8.228   3.356   8.524
  205   2HB   LEU  25          1HB       LEU  25   7.498   3.822   7.062
  206    HG   LEU  25           HG       LEU  25   5.992   1.676   8.515
  207   1HD1  LEU  25          1HD1      LEU  25   6.180   4.511   9.659
  208   2HD1  LEU  25          3HD1      LEU  25   5.072   3.267  10.222
  209   3HD1  LEU  25          2HD1      LEU  25   6.805   3.057  10.416
  210   1HD2  LEU  25          2HD2      LEU  25   5.139   4.363   7.333
  211   2HD2  LEU  25          1HD2      LEU  25   5.087   2.818   6.499
  212   3HD2  LEU  25          3HD2      LEU  25   4.054   3.097   7.886
  213    H    SER  26           H        SER  26  10.556   1.320   6.732
  214    HA   SER  26           HA       SER  26  10.601   2.370   3.952
  215   1HB   SER  26          2HB       SER  26  12.211   3.658   6.205
  216   2HB   SER  26          1HB       SER  26  12.625   3.827   4.507
  217    HG   SER  26           HG       SER  26   9.953   4.119   4.837
  218    H    PHE  27           H        PHE  27  12.805   0.887   6.437
  219    HA   PHE  27           HA       PHE  27  14.535   0.131   4.204
  220   1HB   PHE  27          2HB       PHE  27  14.452  -1.038   7.024
  221   2HB   PHE  27          1HB       PHE  27  15.481  -1.634   5.772
  222    HD1  PHE  27           HD2      PHE  27  16.665   0.549   4.427
  223    HD2  PHE  27           HD1      PHE  27  15.683   0.355   8.562
  224    HE1  PHE  27           HE2      PHE  27  18.371   2.235   4.914
  225    HE2  PHE  27           HE1      PHE  27  17.392   2.046   9.035
  226    HZ   PHE  27           HZ       PHE  27  18.735   2.980   7.230
  227    H    CYS  28           H        CYS  28  12.333  -1.725   6.247
  228    HA   CYS  28           HA       CYS  28  12.368  -3.917   4.331
  229   1HB   CYS  28          2HB       CYS  28  11.180  -3.682   7.031
  230   2HB   CYS  28          1HB       CYS  28  11.457  -5.103   6.328
  231    H    ARG  29           H        ARG  29  10.530  -1.646   3.652
  232    HA   ARG  29           HA       ARG  29   7.851  -2.387   4.167
  233   1HB   ARG  29          2HB       ARG  29   8.947  -1.142   1.630
  234   2HB   ARG  29          1HB       ARG  29   7.328  -1.100   2.244
  235   1HG   ARG  29          2HG       ARG  29   7.961   0.245   4.148
  236   2HG   ARG  29          1HG       ARG  29   9.666   0.159   3.715
  237   1HD   ARG  29          2HD       ARG  29   8.707   2.295   2.815
  238   2HD   ARG  29          1HD       ARG  29   9.064   1.240   1.462
  239    HE   ARG  29           HE       ARG  29   6.449   0.598   2.145
  240   1HH1  ARG  29          2HH1      ARG  29   6.539   3.409   3.084
  241   2HH1  ARG  29          1HH1      ARG  29   5.916   4.307   1.741
  242   1HH2  ARG  29          1HH2      ARG  29   6.551   1.477  -0.348
  243   2HH2  ARG  29          2HH2      ARG  29   5.946   3.107  -0.410
  244    H    LYS  30           H        LYS  30   9.958  -4.488   2.928
  245    HA   LYS  30           HA       LYS  30   8.444  -5.534   0.675
  246   1HB   LYS  30          2HB       LYS  30  10.195  -7.376   0.808
  247   2HB   LYS  30          1HB       LYS  30  10.896  -5.803   0.585
  248   1HG   LYS  30          2HG       LYS  30  12.278  -6.698   2.221
  249   2HG   LYS  30          1HG       LYS  30  11.179  -5.796   3.227
  250   1HD   LYS  30          2HD       LYS  30  11.255  -7.823   4.361
  251   2HD   LYS  30          1HD       LYS  30   9.903  -8.141   3.290
  252   1HE   LYS  30          2HE       LYS  30  11.206  -9.340   1.719
  253   2HE   LYS  30          1HE       LYS  30  12.690  -9.026   2.615
  254   1HZ   LYS  30          3HZ       LYS  30  10.717 -10.046   4.361
  255   2HZ   LYS  30          2HZ       LYS  30  10.830 -11.050   3.012
  256   3HZ   LYS  30          1HZ       LYS  30  12.214 -10.731   3.932
  257    H    THR  31           H        THR  31   8.938  -6.054   4.149
  258    HA   THR  31           HA       THR  31   6.432  -7.535   4.194
  259    HB   THR  31           HB       THR  31   8.904  -9.079   4.879
  260    HG1  THR  31           HG1      THR  31   7.327  -9.013   2.601
  261   1HG2  THR  31          1HG2      THR  31   6.888  -9.833   6.197
  262   2HG2  THR  31          3HG2      THR  31   6.060 -10.113   4.676
  263   3HG2  THR  31          2HG2      THR  31   7.469 -11.067   5.090
  264    H    CYS  32           H        CYS  32   9.354  -7.464   5.969
  265    HA   CYS  32           HA       CYS  32   8.311  -7.582   8.631
  266   1HB   CYS  32          2HB       CYS  32  10.765  -6.880   7.449
  267   2HB   CYS  32          1HB       CYS  32  10.332  -5.583   8.509
  268    H    GLY  33           H        GLY  33   8.853  -5.181   6.424
  269   1HA   GLY  33          2HA       GLY  33   8.026  -2.989   8.011
  270   2HA   GLY  33          1HA       GLY  33   8.448  -2.960   6.313
  271    H    THR  34           H        THR  34   6.515  -4.575   5.250
  272    HA   THR  34           HA       THR  34   3.941  -3.804   6.306
  273    HB   THR  34           HB       THR  34   4.185  -2.364   3.724
  274    HG1  THR  34           HG1      THR  34   5.719  -1.383   5.877
  275   1HG2  THR  34          3HG2      THR  34   2.428  -1.867   5.625
  276   2HG2  THR  34          2HG2      THR  34   3.751  -1.300   6.624
  277   3HG2  THR  34          1HG2      THR  34   3.322  -0.426   5.164
  278    H    CYS  35           H        CYS  35   4.865  -6.360   5.209
  279    HA   CYS  35           HA       CYS  35   2.588  -6.992   3.618
  280   1HB   CYS  35          2HB       CYS  35   5.118  -6.310   2.290
  281   2HB   CYS  35          1HB       CYS  35   4.575  -7.883   1.862
   
  No H/Q in entry =         281
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1   2.868  -1.077  -1.416
    2   2H    ARG   1          3H        ARG   1   1.517  -0.179  -1.924
    3   3H    ARG   1          2H        ARG   1   1.313  -1.700  -1.190
    4    HA   ARG   1           HA       ARG   1   1.435  -2.737  -3.116
    5   1HB   ARG   1          2HB       ARG   1   1.942   0.074  -4.242
    6   2HB   ARG   1          1HB       ARG   1   1.486  -1.320  -5.206
    7   1HG   ARG   1          2HG       ARG   1  -0.676  -1.507  -3.972
    8   2HG   ARG   1          1HG       ARG   1  -0.214  -0.191  -2.918
    9   1HD   ARG   1          2HD       ARG   1  -0.250   1.394  -4.814
   10   2HD   ARG   1          1HD       ARG   1  -0.592   0.082  -5.938
   11    HE   ARG   1           HE       ARG   1  -2.787  -0.170  -4.906
   12   1HH1  ARG   1          1HH2      ARG   1  -1.697   1.072  -2.313
   13   2HH1  ARG   1          2HH2      ARG   1  -2.644   2.522  -2.231
   14   1HH2  ARG   1          1HH1      ARG   1  -3.640   2.207  -5.576
   15   2HH2  ARG   1          2HH1      ARG   1  -3.794   3.194  -4.160
   16    H    SER   2           H        SER   2   3.946  -0.272  -2.864
   17    HA   SER   2           HA       SER   2   5.876  -1.853  -4.376
   18   1HB   SER   2          2HB       SER   2   7.429   0.060  -3.610
   19   2HB   SER   2          1HB       SER   2   5.964   0.656  -4.416
   20    HG   SER   2           HG       SER   2   6.363   0.228  -1.648
   21    H    CYS   3           H        CYS   3   5.555  -3.770  -3.046
   22    HA   CYS   3           HA       CYS   3   6.486  -3.734  -0.271
   23   1HB   CYS   3          2HB       CYS   3   5.893  -6.023  -2.183
   24   2HB   CYS   3          1HB       CYS   3   6.396  -6.240  -0.527
   25    H    ILE   4           H        ILE   4   8.455  -2.637  -0.794
   26    HA   ILE   4           HA       ILE   4  10.615  -4.562  -1.321
   27    HB   ILE   4           HB       ILE   4  11.737  -2.801  -2.872
   28   1HG1  ILE   4          2HG1      ILE   4   9.067  -1.347  -2.536
   29   2HG1  ILE   4          1HG1      ILE   4  10.604  -0.777  -1.942
   30   1HG2  ILE   4          2HG2      ILE   4  10.324  -4.644  -3.843
   31   2HG2  ILE   4          1HG2      ILE   4   8.919  -3.606  -3.770
   32   3HG2  ILE   4          3HG2      ILE   4  10.248  -3.212  -4.845
   33   1HD1  ILE   4          3HD1      ILE   4  11.449  -0.613  -4.307
   34   2HD1  ILE   4          2HD1      ILE   4   9.883  -1.140  -4.896
   35   3HD1  ILE   4          1HD1      ILE   4  10.029   0.386  -4.059
   36    H    ASP   5           H        ASP   5  12.530  -3.988  -0.751
   37    HA   ASP   5           HA       ASP   5  12.696  -2.190   1.607
   38   1HB   ASP   5          2HB       ASP   5  14.019  -3.802   2.666
   39   2HB   ASP   5          1HB       ASP   5  12.550  -4.482   2.053
   40    H    THR   6           H        THR   6  14.711  -1.471   2.199
   41    HA   THR   6           HA       THR   6  16.581  -0.786  -0.016
   42    HB   THR   6           HB       THR   6  15.771   1.058   1.617
   43    HG1  THR   6           HG1      THR   6  17.732   1.719   1.198
   44   1HG2  THR   6          1HG2      THR   6  15.750  -0.505   3.712
   45   2HG2  THR   6          3HG2      THR   6  17.503  -0.428   3.652
   46   3HG2  THR   6          2HG2      THR   6  16.578   1.026   3.927
   47    H    ILE   7           H        ILE   7  16.160  -2.438   2.917
   48    HA   ILE   7           HA       ILE   7  18.271  -4.409   2.589
   49    HB   ILE   7           HB       ILE   7  19.014  -4.147   4.936
   50   1HG1  ILE   7          2HG1      ILE   7  18.368  -1.694   5.811
   51   2HG1  ILE   7          1HG1      ILE   7  16.950  -2.040   4.855
   52   1HG2  ILE   7          1HG2      ILE   7  20.293  -2.971   3.166
   53   2HG2  ILE   7          3HG2      ILE   7  19.278  -1.559   3.341
   54   3HG2  ILE   7          2HG2      ILE   7  20.325  -2.046   4.654
   55   1HD1  ILE   7          3HD1      ILE   7  17.817  -3.964   6.993
   56   2HD1  ILE   7          2HD1      ILE   7  16.640  -2.689   7.275
   57   3HD1  ILE   7          1HD1      ILE   7  16.307  -3.973   6.164
   58    HA   PRO   8           HA       PRO   8  14.470  -5.947   4.644
   59   1HB   PRO   8          2HB       PRO   8  14.469  -8.491   3.780
   60   2HB   PRO   8          1HB       PRO   8  14.823  -7.266   2.589
   61   1HG   PRO   8          2HG       PRO   8  16.907  -8.974   3.908
   62   2HG   PRO   8          1HG       PRO   8  16.729  -8.496   2.224
   63   1HD   PRO   8          2HD       PRO   8  18.159  -7.060   4.317
   64   2HD   PRO   8          1HD       PRO   8  18.015  -6.562   2.613
   65    H    LYS   9           H        LYS   9  15.047  -8.631   5.406
   66    HA   LYS   9           HA       LYS   9  15.216  -8.811   8.088
   67   1HB   LYS   9          2HB       LYS   9  15.031 -10.530   6.127
   68   2HB   LYS   9          1HB       LYS   9  16.759 -10.572   6.234
   69   1HG   LYS   9          2HG       LYS   9  16.397 -12.329   7.695
   70   2HG   LYS   9          1HG       LYS   9  16.245 -11.049   8.868
   71   1HD   LYS   9          2HD       LYS   9  13.850 -12.196   7.340
   72   2HD   LYS   9          1HD       LYS   9  14.362 -12.797   8.902
   73   1HE   LYS   9          2HE       LYS   9  13.982 -10.558   9.911
   74   2HE   LYS   9          1HE       LYS   9  13.484  -9.912   8.356
   75   1HZ   LYS   9          1HZ       LYS   9  11.966 -12.201   8.836
   76   2HZ   LYS   9          3HZ       LYS   9  11.953 -11.257  10.249
   77   3HZ   LYS   9          2HZ       LYS   9  11.464 -10.575   8.781
   78    H    SER  10           H        SER  10  17.780  -8.245   5.894
   79    HA   SER  10           HA       SER  10  20.053  -8.820   7.446
   80   1HB   SER  10          2HB       SER  10  20.217  -7.936   5.047
   81   2HB   SER  10          1HB       SER  10  19.781  -6.334   5.661
   82    HG   SER  10           HG       SER  10  21.705  -7.136   7.248
   83    H    ARG  11           H        ARG  11  18.010  -5.970   7.734
   84    HA   ARG  11           HA       ARG  11  19.423  -5.436  10.302
   85   1HB   ARG  11          2HB       ARG  11  18.379  -3.116   8.664
   86   2HB   ARG  11          1HB       ARG  11  19.627  -3.234   9.855
   87   1HG   ARG  11          2HG       ARG  11  21.203  -4.293   8.371
   88   2HG   ARG  11          1HG       ARG  11  20.018  -4.407   7.090
   89   1HD   ARG  11          2HD       ARG  11  21.374  -2.463   6.639
   90   2HD   ARG  11          1HD       ARG  11  19.803  -1.884   7.146
   91    HE   ARG  11           HE       ARG  11  21.067  -1.889   9.553
   92   1HH1  ARG  11          1HH2      ARG  11  23.127  -1.794   7.078
   93   2HH1  ARG  11          2HH2      ARG  11  23.768  -0.208   7.318
   94   1HH2  ARG  11          2HH1      ARG  11  21.299   0.506   9.736
   95   2HH2  ARG  11          1HH1      ARG  11  22.696   1.157   8.949
   96    H    CYS  12           H        CYS  12  17.151  -6.972   9.473
   97    HA   CYS  12           HA       CYS  12  15.062  -5.486  10.934
   98   1HB   CYS  12          2HB       CYS  12  14.929  -6.471   8.234
   99   2HB   CYS  12          1HB       CYS  12  13.731  -7.086   9.321
  100    H    THR  13           H        THR  13  14.715  -6.482  12.632
  101    HA   THR  13           HA       THR  13  13.918  -9.298  12.721
  102    HB   THR  13           HB       THR  13  15.589  -9.594  14.687
  103    HG1  THR  13           HG1      THR  13  17.001  -7.412  14.170
  104   1HG2  THR  13          1HG2      THR  13  16.323  -9.883  12.156
  105   2HG2  THR  13          3HG2      THR  13  16.933  -8.263  12.209
  106   3HG2  THR  13          2HG2      THR  13  17.667  -9.483  13.214
  107    H    ALA  14           H        ALA  14  12.404  -9.375  14.514
  108    HA   ALA  14           HA       ALA  14  10.592  -7.370  14.768
  109   1HB   ALA  14          2HB       ALA  14  11.518  -9.180  17.055
  110   2HB   ALA  14          1HB       ALA  14   9.996  -8.305  17.021
  111   3HB   ALA  14          3HB       ALA  14  10.294  -9.583  15.855
  112    H    PHE  15           H        PHE  15  13.630  -7.368  16.290
  113    HA   PHE  15           HA       PHE  15  13.025  -5.184  18.136
  114   1HB   PHE  15          2HB       PHE  15  14.964  -6.838  18.457
  115   2HB   PHE  15          1HB       PHE  15  15.776  -6.106  17.087
  116    HD1  PHE  15           HD2      PHE  15  16.515  -3.695  17.230
  117    HD2  PHE  15           HD1      PHE  15  14.933  -5.753  20.611
  118    HE1  PHE  15           HE2      PHE  15  17.432  -1.971  18.716
  119    HE2  PHE  15           HE1      PHE  15  15.851  -4.031  22.087
  120    HZ   PHE  15           HZ       PHE  15  17.102  -2.134  21.147
  121    H    GLN  16           H        GLN  16  14.793  -5.407  15.052
  122    HA   GLN  16           HA       GLN  16  14.908  -2.459  14.859
  123   1HB   GLN  16          2HB       GLN  16  15.496  -4.470  12.627
  124   2HB   GLN  16          1HB       GLN  16  16.031  -2.816  12.715
  125   1HG   GLN  16          2HG       GLN  16  17.276  -3.408  14.865
  126   2HG   GLN  16          1HG       GLN  16  16.930  -5.087  14.516
  127   1HE2  GLN  16          2HE2      GLN  16  19.892  -5.213  12.602
  128   2HE2  GLN  16          1HE2      GLN  16  18.959  -5.934  13.827
  129    H    CYS  17           H        CYS  17  12.818  -4.956  13.790
  130    HA   CYS  17           HA       CYS  17  11.363  -3.350  11.830
  131   1HB   CYS  17          2HB       CYS  17  10.588  -6.022  13.088
  132   2HB   CYS  17          1HB       CYS  17   9.887  -5.309  11.667
  133    H    LYS  18           H        LYS  18  10.853  -4.275  15.246
  134    HA   LYS  18           HA       LYS  18   8.237  -2.843  15.136
  135   1HB   LYS  18          2HB       LYS  18   8.794  -5.172  16.367
  136   2HB   LYS  18          1HB       LYS  18   9.322  -4.138  17.656
  137   1HG   LYS  18          2HG       LYS  18   6.522  -4.136  16.418
  138   2HG   LYS  18          1HG       LYS  18   6.960  -4.874  17.941
  139   1HD   LYS  18          2HD       LYS  18   7.590  -2.590  18.834
  140   2HD   LYS  18          1HD       LYS  18   6.991  -1.894  17.332
  141   1HE   LYS  18          2HE       LYS  18   4.751  -2.843  17.731
  142   2HE   LYS  18          1HE       LYS  18   5.304  -3.492  19.271
  143   1HZ   LYS  18          2HZ       LYS  18   6.041  -0.791  19.124
  144   2HZ   LYS  18          1HZ       LYS  18   4.404  -0.908  18.703
  145   3HZ   LYS  18          3HZ       LYS  18   4.942  -1.522  20.190
  146    H    HIS  19           H        HIS  19  11.482  -2.516  16.735
  147    HA   HIS  19           HA       HIS  19  10.541  -0.229  18.215
  148   1HB   HIS  19          2HB       HIS  19  13.360  -1.271  17.783
  149   2HB   HIS  19          1HB       HIS  19  12.768  -0.190  19.028
  150    HD1  HIS  19           HD1      HIS  19  10.302  -2.398  18.745
  151    HD2  HIS  19           HD2      HIS  19  14.049  -2.620  20.315
  152    HE1  HIS  19           HE1      HIS  19  10.284  -4.236  20.259
  153    H    SER  20           H        SER  20  12.380  -0.553  15.112
  154    HA   SER  20           HA       SER  20  12.569   2.409  15.108
  155   1HB   SER  20          2HB       SER  20  14.030   0.191  13.626
  156   2HB   SER  20          1HB       SER  20  14.266   1.919  13.349
  157    HG   SER  20           HG       SER  20  15.133   0.413  15.410
  158    H    MET  21           H        MET  21  10.463   2.873  14.513
  159    HA   MET  21           HA       MET  21   8.819   1.766  12.624
  160   1HB   MET  21          2HB       MET  21   9.372   4.708  13.273
  161   2HB   MET  21          1HB       MET  21   8.057   4.254  12.220
  162   1HG   MET  21          2HG       MET  21   7.375   4.570  14.606
  163   2HG   MET  21          1HG       MET  21   6.974   3.007  13.961
  164   1HE   MET  21          2HE       MET  21   9.987   4.768  15.574
  165   2HE   MET  21          1HE       MET  21   8.851   4.873  16.932
  166   3HE   MET  21          3HE       MET  21  10.269   3.831  17.018
  167    H    LYS  22           H        LYS  22  11.224   4.252  11.792
  168    HA   LYS  22           HA       LYS  22  10.693   4.106   9.029
  169   1HB   LYS  22          2HB       LYS  22  13.131   4.929   8.779
  170   2HB   LYS  22          1HB       LYS  22  12.131   5.911   9.828
  171   1HG   LYS  22          2HG       LYS  22  13.078   4.601  11.831
  172   2HG   LYS  22          1HG       LYS  22  14.140   3.777  10.715
  173   1HD   LYS  22          2HD       LYS  22  14.010   6.780  10.980
  174   2HD   LYS  22          1HD       LYS  22  15.119   5.784  11.912
  175   1HE   LYS  22          2HE       LYS  22  16.046   4.893   9.700
  176   2HE   LYS  22          1HE       LYS  22  15.015   6.043   8.864
  177   1HZ   LYS  22          1HZ       LYS  22  16.427   7.430  10.851
  178   2HZ   LYS  22          3HZ       LYS  22  17.531   6.479   9.987
  179   3HZ   LYS  22          2HZ       LYS  22  16.545   7.588   9.166
  180    H    TYR  23           H        TYR  23  12.470   1.903  10.941
  181    HA   TYR  23           HA       TYR  23  13.742   0.645   8.653
  182   1HB   TYR  23          2HB       TYR  23  13.555   0.135  11.566
  183   2HB   TYR  23          1HB       TYR  23  13.593  -1.335  10.654
  184    HD1  TYR  23           HD1      TYR  23  15.357   2.038  10.010
  185    HD2  TYR  23           HD2      TYR  23  15.662  -2.132  10.765
  186    HE1  TYR  23           HE1      TYR  23  17.797   2.128   9.673
  187    HE2  TYR  23           HE2      TYR  23  18.064  -2.035  10.447
  188    HH   TYR  23           HH       TYR  23  19.794  -0.714   9.370
  189    H    ARG  24           H        ARG  24  10.681   0.246  10.303
  190    HA   ARG  24           HA       ARG  24  10.082  -2.123   8.572
  191   1HB   ARG  24          2HB       ARG  24   9.571  -1.605  11.180
  192   2HB   ARG  24          1HB       ARG  24   8.209  -0.726  10.580
  193   1HG   ARG  24          2HG       ARG  24   8.561  -3.527   9.622
  194   2HG   ARG  24          1HG       ARG  24   8.059  -3.310  11.254
  195   1HD   ARG  24          2HD       ARG  24   6.628  -1.800   9.066
  196   2HD   ARG  24          1HD       ARG  24   6.123  -3.428   9.494
  197    HE   ARG  24           HE       ARG  24   5.642  -1.024  10.994
  198   1HH1  ARG  24          2HH1      ARG  24   7.271  -2.328  12.962
  199   2HH1  ARG  24          1HH1      ARG  24   6.209  -3.418  13.799
  200   1HH2  ARG  24          1HH2      ARG  24   3.898  -3.226  11.108
  201   2HH2  ARG  24          2HH2      ARG  24   4.135  -3.987  12.651
  202    H    LEU  25           H        LEU  25   8.806   1.244   9.076
  203    HA   LEU  25           HA       LEU  25   6.927   1.065   6.929
  204   1HB   LEU  25          2HB       LEU  25   7.998   3.149   8.812
  205   2HB   LEU  25          1HB       LEU  25   6.855   3.523   7.580
  206    HG   LEU  25           HG       LEU  25   6.354   1.214   9.550
  207   1HD1  LEU  25          3HD1      LEU  25   5.640   4.155   9.992
  208   2HD1  LEU  25          2HD1      LEU  25   5.178   2.821  11.044
  209   3HD1  LEU  25          1HD1      LEU  25   6.860   3.258  10.873
  210   1HD2  LEU  25          1HD2      LEU  25   4.432   3.093   8.074
  211   2HD2  LEU  25          3HD2      LEU  25   4.808   1.456   7.569
  212   3HD2  LEU  25          2HD2      LEU  25   3.970   1.731   9.081
  213    H    SER  26           H        SER  26  10.105   1.328   6.782
  214    HA   SER  26           HA       SER  26   9.961   2.545   4.099
  215   1HB   SER  26          2HB       SER  26  11.732   3.769   6.284
  216   2HB   SER  26          1HB       SER  26  11.866   4.115   4.570
  217    HG   SER  26           HG       SER  26   9.268   4.236   5.268
  218    H    PHE  27           H        PHE  27  12.316   1.171   6.467
  219    HA   PHE  27           HA       PHE  27  14.055   0.527   4.234
  220   1HB   PHE  27          2HB       PHE  27  14.185  -0.675   7.043
  221   2HB   PHE  27          1HB       PHE  27  15.270  -1.015   5.765
  222    HD1  PHE  27           HD1      PHE  27  13.908   2.428   6.601
  223    HD2  PHE  27           HD2      PHE  27  17.308  -0.135   6.554
  224    HE1  PHE  27           HE1      PHE  27  15.337   4.309   7.167
  225    HE2  PHE  27           HE2      PHE  27  18.738   1.756   7.113
  226    HZ   PHE  27           HZ       PHE  27  17.761   3.997   7.428
  227    H    CYS  28           H        CYS  28  12.019  -1.602   6.260
  228    HA   CYS  28           HA       CYS  28  12.404  -3.743   4.319
  229   1HB   CYS  28          2HB       CYS  28  11.291  -3.632   7.052
  230   2HB   CYS  28          1HB       CYS  28  11.533  -5.053   6.349
  231    H    ARG  29           H        ARG  29  10.458  -1.719   3.758
  232    HA   ARG  29           HA       ARG  29   7.747  -2.635   4.181
  233   1HB   ARG  29          2HB       ARG  29   8.303  -1.550   1.448
  234   2HB   ARG  29          1HB       ARG  29   7.216  -0.983   2.682
  235   1HG   ARG  29          2HG       ARG  29   9.047   0.249   3.822
  236   2HG   ARG  29          1HG       ARG  29  10.204  -0.370   2.640
  237   1HD   ARG  29          2HD       ARG  29   9.517   1.868   2.001
  238   2HD   ARG  29          1HD       ARG  29   9.029   0.687   0.798
  239    HE   ARG  29           HE       ARG  29   6.799   0.776   2.348
  240   1HH1  ARG  29          1HH2      ARG  29   7.253   3.171   3.585
  241   2HH1  ARG  29          2HH2      ARG  29   6.766   4.411   2.491
  242   1HH2  ARG  29          2HH1      ARG  29   6.916   2.114  -0.219
  243   2HH2  ARG  29          1HH1      ARG  29   6.543   3.765   0.120
  244    H    LYS  30           H        LYS  30  10.132  -4.507   2.947
  245    HA   LYS  30           HA       LYS  30   8.697  -5.662   0.701
  246   1HB   LYS  30          2HB       LYS  30  10.583  -7.353   0.838
  247   2HB   LYS  30          1HB       LYS  30  11.134  -5.729   0.611
  248   1HG   LYS  30          2HG       LYS  30  12.610  -6.515   2.193
  249   2HG   LYS  30          1HG       LYS  30  11.478  -5.655   3.187
  250   1HD   LYS  30          2HD       LYS  30  12.197  -7.775   4.165
  251   2HD   LYS  30          1HD       LYS  30  10.480  -7.712   3.975
  252   1HE   LYS  30          2HE       LYS  30  12.296  -9.067   1.929
  253   2HE   LYS  30          1HE       LYS  30  11.691  -9.932   3.328
  254   1HZ   LYS  30          1HZ       LYS  30   9.507  -8.665   2.064
  255   2HZ   LYS  30          3HZ       LYS  30  10.390  -9.514   0.899
  256   3HZ   LYS  30          2HZ       LYS  30   9.791 -10.291   2.277
  257    H    THR  31           H        THR  31   9.063  -6.034   4.205
  258    HA   THR  31           HA       THR  31   6.685  -7.583   4.230
  259    HB   THR  31           HB       THR  31   9.201  -9.186   4.465
  260    HG1  THR  31           HG1      THR  31   7.007  -9.171   2.820
  261   1HG2  THR  31          3HG2      THR  31   7.729  -9.838   6.473
  262   2HG2  THR  31          2HG2      THR  31   6.432 -10.134   5.326
  263   3HG2  THR  31          1HG2      THR  31   7.870 -11.138   5.305
  264    H    CYS  32           H        CYS  32   9.645  -7.387   6.066
  265    HA   CYS  32           HA       CYS  32   8.340  -7.640   8.629
  266   1HB   CYS  32          2HB       CYS  32  10.994  -6.753   7.761
  267   2HB   CYS  32          1HB       CYS  32  10.385  -5.606   8.881
  268    H    GLY  33           H        GLY  33   9.039  -5.218   6.489
  269   1HA   GLY  33          2HA       GLY  33   8.251  -2.915   7.785
  270   2HA   GLY  33          1HA       GLY  33   8.454  -3.059   6.083
  271    H    THR  34           H        THR  34   6.255  -5.018   6.187
  272    HA   THR  34           HA       THR  34   3.791  -4.862   6.822
  273    HB   THR  34           HB       THR  34   4.339  -2.108   5.678
  274    HG1  THR  34           HG1      THR  34   4.559  -2.043   7.832
  275   1HG2  THR  34          2HG2      THR  34   1.653  -3.226   6.703
  276   2HG2  THR  34          1HG2      THR  34   1.926  -1.567   6.207
  277   3HG2  THR  34          3HG2      THR  34   1.933  -2.853   5.003
  278    H    CYS  35           H        CYS  35   4.748  -6.526   5.249
  279    HA   CYS  35           HA       CYS  35   3.099  -6.788   3.011
  280   1HB   CYS  35          2HB       CYS  35   5.889  -5.730   2.707
  281   2HB   CYS  35          1HB       CYS  35   5.342  -6.925   1.592
   
  No H/Q in entry =         281
  Start of MODEL   15
    1   1H    ARG   1          3H        ARG   1   2.198   0.620  -2.043
    2   2H    ARG   1          2H        ARG   1   0.588   0.848  -2.544
    3   3H    ARG   1          1H        ARG   1   0.976   0.790  -0.894
    4    HA   ARG   1           HA       ARG   1   0.733  -1.383  -0.807
    5   1HB   ARG   1          2HB       ARG   1  -0.736  -0.615  -3.052
    6   2HB   ARG   1          1HB       ARG   1   0.352  -1.774  -3.778
    7   1HG   ARG   1          2HG       ARG   1  -1.393  -2.356  -1.341
    8   2HG   ARG   1          1HG       ARG   1  -1.832  -2.779  -2.979
    9   1HD   ARG   1          2HD       ARG   1   0.165  -4.288  -3.116
   10   2HD   ARG   1          1HD       ARG   1   0.576  -3.874  -1.451
   11    HE   ARG   1           HE       ARG   1  -2.027  -4.661  -1.200
   12   1HH1  ARG   1          1HH1      ARG   1  -2.522  -6.355  -3.133
   13   2HH1  ARG   1          2HH1      ARG   1  -1.678  -7.840  -2.830
   14   1HH2  ARG   1          1HH2      ARG   1   0.517  -6.280  -0.584
   15   2HH2  ARG   1          2HH2      ARG   1   0.109  -7.793  -1.328
   16    H    SER   2           H        SER   2   2.594  -0.285  -3.534
   17    HA   SER   2           HA       SER   2   4.263  -2.632  -3.764
   18   1HB   SER   2          2HB       SER   2   4.835   0.214  -4.731
   19   2HB   SER   2          1HB       SER   2   5.485  -1.293  -5.405
   20    HG   SER   2           HG       SER   2   3.277  -0.226  -6.198
   21    H    CYS   3           H        CYS   3   4.590  -2.656  -1.332
   22    HA   CYS   3           HA       CYS   3   6.739  -0.873  -0.344
   23   1HB   CYS   3          2HB       CYS   3   5.104  -3.047   1.028
   24   2HB   CYS   3          1HB       CYS   3   6.209  -2.003   1.854
   25    H    ILE   4           H        ILE   4   8.847  -1.542  -0.603
   26    HA   ILE   4           HA       ILE   4   9.488  -4.459  -0.491
   27    HB   ILE   4           HB       ILE   4  11.025  -4.148  -2.460
   28   1HG1  ILE   4          2HG1      ILE   4  10.003  -1.253  -2.548
   29   2HG1  ILE   4          1HG1      ILE   4  11.616  -1.726  -2.049
   30   1HG2  ILE   4          3HG2      ILE   4   8.658  -4.759  -2.917
   31   2HG2  ILE   4          2HG2      ILE   4   8.229  -3.072  -3.068
   32   3HG2  ILE   4          1HG2      ILE   4   9.307  -3.810  -4.234
   33   1HD1  ILE   4          2HD1      ILE   4  12.030  -2.686  -4.324
   34   2HD1  ILE   4          1HD1      ILE   4  10.438  -2.155  -4.841
   35   3HD1  ILE   4          3HD1      ILE   4  11.648  -0.975  -4.389
   36    H    ASP   5           H        ASP   5  12.166  -4.249  -0.805
   37    HA   ASP   5           HA       ASP   5  12.906  -2.510   1.463
   38   1HB   ASP   5          2HB       ASP   5  14.135  -4.204   2.416
   39   2HB   ASP   5          1HB       ASP   5  12.502  -4.683   2.094
   40    H    THR   6           H        THR   6  14.872  -1.789   1.719
   41    HA   THR   6           HA       THR   6  16.646  -1.680  -0.674
   42    HB   THR   6           HB       THR   6  16.992  -0.285   2.070
   43    HG1  THR   6           HG1      THR   6  15.999   1.137  -0.057
   44   1HG2  THR   6          1HG2      THR   6  17.921   0.516  -0.766
   45   2HG2  THR   6          3HG2      THR   6  18.259   1.373   0.737
   46   3HG2  THR   6          2HG2      THR   6  18.972  -0.200   0.439
   47    H    ILE   7           H        ILE   7  16.329  -2.882   2.492
   48    HA   ILE   7           HA       ILE   7  18.388  -4.919   2.277
   49    HB   ILE   7           HB       ILE   7  19.259  -4.398   4.565
   50   1HG1  ILE   7          2HG1      ILE   7  18.820  -1.838   5.135
   51   2HG1  ILE   7          1HG1      ILE   7  17.337  -2.188   4.266
   52   1HG2  ILE   7          3HG2      ILE   7  20.550  -3.598   2.622
   53   2HG2  ILE   7          2HG2      ILE   7  19.625  -2.109   2.594
   54   3HG2  ILE   7          1HG2      ILE   7  20.672  -2.460   3.954
   55   1HD1  ILE   7          3HD1      ILE   7  18.313  -3.837   6.635
   56   2HD1  ILE   7          2HD1      ILE   7  17.090  -2.590   6.758
   57   3HD1  ILE   7          1HD1      ILE   7  16.782  -4.032   5.845
   58    HA   PRO   8           HA       PRO   8  14.621  -6.150   4.616
   59   1HB   PRO   8          2HB       PRO   8  14.607  -8.728   4.153
   60   2HB   PRO   8          1HB       PRO   8  14.975  -7.717   2.786
   61   1HG   PRO   8          2HG       PRO   8  17.048  -9.272   4.312
   62   2HG   PRO   8          1HG       PRO   8  16.880  -8.977   2.584
   63   1HD   PRO   8          2HD       PRO   8  18.286  -7.302   4.531
   64   2HD   PRO   8          1HD       PRO   8  18.219  -7.048   2.771
   65    H    LYS   9           H        LYS   9  15.224  -8.720   5.747
   66    HA   LYS   9           HA       LYS   9  15.362  -8.423   8.415
   67   1HB   LYS   9          2HB       LYS   9  15.101 -10.448   6.902
   68   2HB   LYS   9          1HB       LYS   9  16.826 -10.466   6.792
   69   1HG   LYS   9          2HG       LYS   9  17.036 -11.689   8.679
   70   2HG   LYS   9          1HG       LYS   9  16.375 -10.364   9.606
   71   1HD   LYS   9          2HD       LYS   9  15.125 -12.336  10.138
   72   2HD   LYS   9          1HD       LYS   9  14.068 -11.289   9.227
   73   1HE   LYS   9          2HE       LYS   9  15.648 -13.474   7.819
   74   2HE   LYS   9          1HE       LYS   9  14.144 -13.855   8.631
   75   1HZ   LYS   9          3HZ       LYS   9  13.713 -11.584   7.067
   76   2HZ   LYS   9          2HZ       LYS   9  14.501 -12.737   6.094
   77   3HZ   LYS   9          1HZ       LYS   9  13.052 -13.132   6.881
   78    H    SER  10           H        SER  10  17.940  -8.143   6.195
   79    HA   SER  10           HA       SER  10  20.276  -8.570   7.671
   80   1HB   SER  10          2HB       SER  10  20.298  -7.806   5.241
   81   2HB   SER  10          1HB       SER  10  19.825  -6.181   5.776
   82    HG   SER  10           HG       SER  10  21.879  -5.873   6.251
   83    H    ARG  11           H        ARG  11  18.381  -5.612   7.747
   84    HA   ARG  11           HA       ARG  11  19.741  -4.990  10.344
   85   1HB   ARG  11          2HB       ARG  11  18.865  -2.855   8.340
   86   2HB   ARG  11          1HB       ARG  11  19.913  -2.721   9.711
   87   1HG   ARG  11          2HG       ARG  11  21.713  -3.959   8.673
   88   2HG   ARG  11          1HG       ARG  11  20.688  -4.500   7.365
   89   1HD   ARG  11          2HD       ARG  11  21.998  -2.769   6.437
   90   2HD   ARG  11          1HD       ARG  11  20.399  -2.085   6.684
   91    HE   ARG  11           HE       ARG  11  21.403  -1.238   8.953
   92   1HH1  ARG  11          1HH2      ARG  11  24.000  -2.452   7.836
   93   2HH1  ARG  11          2HH2      ARG  11  24.876  -1.036   7.369
   94   1HH2  ARG  11          2HH1      ARG  11  21.941   0.911   7.660
   95   2HH2  ARG  11          1HH1      ARG  11  23.634   1.023   7.306
   96    H    CYS  12           H        CYS  12  17.508  -6.521   9.748
   97    HA   CYS  12           HA       CYS  12  15.393  -4.969  11.071
   98   1HB   CYS  12          2HB       CYS  12  15.317  -6.071   8.404
   99   2HB   CYS  12          1HB       CYS  12  14.109  -6.604   9.496
  100    H    THR  13           H        THR  13  14.795  -6.153  12.757
  101    HA   THR  13           HA       THR  13  14.557  -9.080  12.524
  102    HB   THR  13           HB       THR  13  16.020  -9.350  14.587
  103    HG1  THR  13           HG1      THR  13  16.542  -7.585  15.678
  104   1HG2  THR  13          3HG2      THR  13  17.164  -8.882  12.267
  105   2HG2  THR  13          2HG2      THR  13  17.246  -7.205  12.727
  106   3HG2  THR  13          1HG2      THR  13  18.166  -8.387  13.622
  107    H    ALA  14           H        ALA  14  13.205  -9.679  14.714
  108    HA   ALA  14           HA       ALA  14  10.937  -7.969  14.614
  109   1HB   ALA  14          2HB       ALA  14  11.820  -9.826  16.925
  110   2HB   ALA  14          1HB       ALA  14  10.193  -9.191  16.738
  111   3HB   ALA  14          3HB       ALA  14  10.825 -10.326  15.557
  112    H    PHE  15           H        PHE  15  13.810  -7.253  16.004
  113    HA   PHE  15           HA       PHE  15  12.615  -5.378  17.985
  114   1HB   PHE  15          2HB       PHE  15  14.693  -6.798  18.552
  115   2HB   PHE  15          1HB       PHE  15  15.577  -5.954  17.294
  116    HD1  PHE  15           HD2      PHE  15  16.045  -3.493  17.547
  117    HD2  PHE  15           HD1      PHE  15  14.282  -5.764  20.695
  118    HE1  PHE  15           HE2      PHE  15  16.611  -1.724  19.153
  119    HE2  PHE  15           HE1      PHE  15  14.852  -3.993  22.292
  120    HZ   PHE  15           HZ       PHE  15  16.018  -1.969  21.515
  121    H    GLN  16           H        GLN  16  14.888  -5.369  15.211
  122    HA   GLN  16           HA       GLN  16  14.594  -2.483  14.859
  123   1HB   GLN  16          2HB       GLN  16  15.684  -4.592  12.960
  124   2HB   GLN  16          1HB       GLN  16  15.795  -2.868  12.657
  125   1HG   GLN  16          2HG       GLN  16  16.900  -2.796  15.003
  126   2HG   GLN  16          1HG       GLN  16  17.086  -4.532  14.843
  127   1HE2  GLN  16          2HE2      GLN  16  19.687  -4.280  12.430
  128   2HE2  GLN  16          1HE2      GLN  16  18.544  -5.342  13.120
  129    H    CYS  17           H        CYS  17  12.714  -5.073  13.860
  130    HA   CYS  17           HA       CYS  17  11.405  -3.687  11.615
  131   1HB   CYS  17          2HB       CYS  17  10.750  -6.414  12.825
  132   2HB   CYS  17          1HB       CYS  17  10.153  -5.753  11.328
  133    H    LYS  18           H        LYS  18  10.634  -4.391  14.985
  134    HA   LYS  18           HA       LYS  18   7.913  -3.287  14.563
  135   1HB   LYS  18          2HB       LYS  18   9.221  -5.000  16.702
  136   2HB   LYS  18          1HB       LYS  18   7.693  -4.219  16.949
  137   1HG   LYS  18          2HG       LYS  18   6.654  -5.435  15.116
  138   2HG   LYS  18          1HG       LYS  18   8.204  -5.967  14.502
  139   1HD   LYS  18          2HD       LYS  18   7.080  -7.834  15.667
  140   2HD   LYS  18          1HD       LYS  18   8.534  -7.378  16.524
  141   1HE   LYS  18          2HE       LYS  18   6.647  -7.784  18.102
  142   2HE   LYS  18          1HE       LYS  18   7.129  -6.099  18.182
  143   1HZ   LYS  18          3HZ       LYS  18   5.216  -6.401  16.150
  144   2HZ   LYS  18          2HZ       LYS  18   4.619  -7.154  17.552
  145   3HZ   LYS  18          1HZ       LYS  18   5.080  -5.521  17.593
  146    H    HIS  19           H        HIS  19  10.998  -2.584  16.101
  147    HA   HIS  19           HA       HIS  19   9.854  -0.422  17.669
  148   1HB   HIS  19          2HB       HIS  19  12.714  -1.388  17.358
  149   2HB   HIS  19          1HB       HIS  19  12.053  -0.301  18.568
  150    HD1  HIS  19           HD1      HIS  19   9.663  -2.588  18.223
  151    HD2  HIS  19           HD2      HIS  19  13.340  -2.660  19.957
  152    HE1  HIS  19           HE1      HIS  19   9.640  -4.401  19.754
  153    H    SER  20           H        SER  20  12.336  -0.643  14.954
  154    HA   SER  20           HA       SER  20  12.294   2.274  14.891
  155   1HB   SER  20          2HB       SER  20  13.670   0.109  13.214
  156   2HB   SER  20          1HB       SER  20  13.950   1.846  13.021
  157    HG   SER  20           HG       SER  20  15.150   1.734  14.767
  158    H    MET  21           H        MET  21  10.083   2.775  14.342
  159    HA   MET  21           HA       MET  21   8.568   1.498  12.340
  160   1HB   MET  21          2HB       MET  21   7.456   3.819  12.043
  161   2HB   MET  21          1HB       MET  21   7.529   3.296  13.704
  162   1HG   MET  21          2HG       MET  21   9.390   5.320  12.382
  163   2HG   MET  21          1HG       MET  21   8.083   5.662  13.450
  164   1HE   MET  21          3HE       MET  21  11.517   5.975  13.191
  165   2HE   MET  21          2HE       MET  21  12.269   5.441  14.670
  166   3HE   MET  21          1HE       MET  21  11.909   4.251  13.430
  167    H    LYS  22           H        LYS  22  10.827   4.214  11.697
  168    HA   LYS  22           HA       LYS  22  10.387   4.173   8.903
  169   1HB   LYS  22          2HB       LYS  22  11.661   5.876  10.273
  170   2HB   LYS  22          1HB       LYS  22  12.993   4.736  10.402
  171   1HG   LYS  22          2HG       LYS  22  13.379   4.804   7.996
  172   2HG   LYS  22          1HG       LYS  22  11.933   5.761   7.739
  173   1HD   LYS  22          2HD       LYS  22  14.341   6.676   9.395
  174   2HD   LYS  22          1HD       LYS  22  14.083   7.094   7.713
  175   1HE   LYS  22          2HE       LYS  22  12.207   7.837  10.016
  176   2HE   LYS  22          1HE       LYS  22  13.297   8.921   9.183
  177   1HZ   LYS  22          3HZ       LYS  22  11.763   7.627   7.239
  178   2HZ   LYS  22          2HZ       LYS  22  10.700   8.171   8.442
  179   3HZ   LYS  22          1HZ       LYS  22  11.749   9.264   7.674
  180    H    TYR  23           H        TYR  23  11.966   1.786  10.770
  181    HA   TYR  23           HA       TYR  23  13.543   0.731   8.564
  182   1HB   TYR  23          2HB       TYR  23  12.911  -0.100  11.394
  183   2HB   TYR  23          1HB       TYR  23  13.393  -1.356  10.384
  184    HD1  TYR  23           HD2      TYR  23  14.464   2.273  10.538
  185    HD2  TYR  23           HD1      TYR  23  15.608  -1.812  10.879
  186    HE1  TYR  23           HE2      TYR  23  16.808   2.945  10.862
  187    HE2  TYR  23           HE1      TYR  23  17.924  -1.154  11.205
  188    HH   TYR  23           HH       TYR  23  19.338   0.553  11.368
  189    H    ARG  24           H        ARG  24  10.566  -0.141  10.226
  190    HA   ARG  24           HA       ARG  24   9.987  -2.268   8.313
  191   1HB   ARG  24          2HB       ARG  24   8.163  -2.645   9.938
  192   2HB   ARG  24          1HB       ARG  24   9.153  -1.677  10.905
  193   1HG   ARG  24          2HG       ARG  24   7.452  -0.438  11.339
  194   2HG   ARG  24          1HG       ARG  24   7.746   0.388   9.858
  195   1HD   ARG  24          2HD       ARG  24   5.706  -0.398   8.961
  196   2HD   ARG  24          1HD       ARG  24   6.081  -2.006   9.415
  197    HE   ARG  24           HE       ARG  24   5.172  -1.787  11.464
  198   1HH1  ARG  24          2HH1      ARG  24   5.597  -0.009  13.056
  199   2HH1  ARG  24          1HH1      ARG  24   4.551   1.363  12.917
  200   1HH2  ARG  24          1HH2      ARG  24   3.655   0.355   9.630
  201   2HH2  ARG  24          2HH2      ARG  24   3.344   1.560  10.831
  202    H    LEU  25           H        LEU  25   9.036   1.095   8.760
  203    HA   LEU  25           HA       LEU  25   7.298   1.279   6.472
  204   1HB   LEU  25          2HB       LEU  25   8.190   3.014   8.734
  205   2HB   LEU  25          1HB       LEU  25   7.661   3.798   7.329
  206    HG   LEU  25           HG       LEU  25   5.867   1.585   8.375
  207   1HD1  LEU  25          3HD1      LEU  25   6.127   4.335   9.722
  208   2HD1  LEU  25          2HD1      LEU  25   4.902   3.125  10.081
  209   3HD1  LEU  25          1HD1      LEU  25   6.577   2.789  10.432
  210   1HD2  LEU  25          3HD2      LEU  25   5.252   3.002   6.369
  211   2HD2  LEU  25          2HD2      LEU  25   4.103   3.146   7.672
  212   3HD2  LEU  25          1HD2      LEU  25   5.275   4.429   7.388
  213    H    SER  26           H        SER  26  10.570   1.219   6.525
  214    HA   SER  26           HA       SER  26  10.590   2.842   4.015
  215   1HB   SER  26          2HB       SER  26  11.361   4.207   6.154
  216   2HB   SER  26          1HB       SER  26  12.888   3.361   5.898
  217    HG   SER  26           HG       SER  26  13.149   4.292   4.010
  218    H    PHE  27           H        PHE  27  12.930   1.068   6.102
  219    HA   PHE  27           HA       PHE  27  14.393   0.247   3.713
  220   1HB   PHE  27          2HB       PHE  27  14.759  -0.792   6.548
  221   2HB   PHE  27          1HB       PHE  27  15.854  -1.010   5.210
  222    HD1  PHE  27           HD1      PHE  27  16.012   1.581   3.894
  223    HD2  PHE  27           HD2      PHE  27  15.740   0.761   8.076
  224    HE1  PHE  27           HE1      PHE  27  17.049   3.732   4.381
  225    HE2  PHE  27           HE2      PHE  27  16.783   2.937   8.548
  226    HZ   PHE  27           HZ       PHE  27  17.441   4.423   6.715
  227    H    CYS  28           H        CYS  28  12.481  -1.608   6.030
  228    HA   CYS  28           HA       CYS  28  12.616  -3.932   4.254
  229   1HB   CYS  28          2HB       CYS  28  11.703  -3.618   7.040
  230   2HB   CYS  28          1HB       CYS  28  12.035  -5.053   6.350
  231    H    ARG  29           H        ARG  29  10.787  -1.895   3.687
  232    HA   ARG  29           HA       ARG  29   8.123  -2.464   4.563
  233   1HB   ARG  29          2HB       ARG  29   8.599  -1.627   1.716
  234   2HB   ARG  29          1HB       ARG  29   7.528  -0.934   2.918
  235   1HG   ARG  29          2HG       ARG  29   9.552   0.008   4.127
  236   2HG   ARG  29          1HG       ARG  29  10.522  -0.456   2.721
  237   1HD   ARG  29          2HD       ARG  29   9.859   1.830   2.415
  238   2HD   ARG  29          1HD       ARG  29   8.994   0.841   1.259
  239    HE   ARG  29           HE       ARG  29   7.509   1.053   3.735
  240   1HH1  ARG  29          1HH2      ARG  29   6.922   1.300   0.745
  241   2HH1  ARG  29          2HH2      ARG  29   6.188   2.862   0.650
  242   1HH2  ARG  29          2HH1      ARG  29   7.379   3.544   3.942
  243   2HH2  ARG  29          1HH1      ARG  29   6.435   4.261   2.674
  244    H    LYS  30           H        LYS  30  10.280  -4.252   2.718
  245    HA   LYS  30           HA       LYS  30   8.516  -5.722   1.052
  246   1HB   LYS  30          2HB       LYS  30  10.304  -7.478   1.124
  247   2HB   LYS  30          1HB       LYS  30  10.916  -5.895   0.765
  248   1HG   LYS  30          2HG       LYS  30  12.462  -6.577   2.404
  249   2HG   LYS  30          1HG       LYS  30  11.315  -5.735   3.412
  250   1HD   LYS  30          2HD       LYS  30  11.896  -7.766   4.472
  251   2HD   LYS  30          1HD       LYS  30  10.289  -8.022   3.814
  252   1HE   LYS  30          2HE       LYS  30  11.116  -9.264   1.934
  253   2HE   LYS  30          1HE       LYS  30  12.787  -8.926   2.363
  254   1HZ   LYS  30          1HZ       LYS  30  11.455 -10.025   4.584
  255   2HZ   LYS  30          3HZ       LYS  30  11.154 -11.003   3.236
  256   3HZ   LYS  30          2HZ       LYS  30  12.748 -10.678   3.704
  257    H    THR  31           H        THR  31   9.168  -6.048   4.544
  258    HA   THR  31           HA       THR  31   6.699  -7.546   4.766
  259    HB   THR  31           HB       THR  31   8.375  -9.306   3.678
  260    HG1  THR  31           HG1      THR  31   6.666  -9.568   5.914
  261   1HG2  THR  31          1HG2      THR  31  10.209  -9.078   5.530
  262   2HG2  THR  31          3HG2      THR  31   9.037  -9.699   6.657
  263   3HG2  THR  31          2HG2      THR  31   9.567 -10.697   5.323
  264    H    CYS  32           H        CYS  32   9.750  -6.651   6.207
  265    HA   CYS  32           HA       CYS  32   8.935  -7.490   8.888
  266   1HB   CYS  32          2HB       CYS  32  11.072  -5.896   7.706
  267   2HB   CYS  32          1HB       CYS  32  10.661  -5.330   9.264
  268    H    GLY  33           H        GLY  33   8.494  -4.818   6.827
  269   1HA   GLY  33          2HA       GLY  33   6.767  -3.683   8.932
  270   2HA   GLY  33          1HA       GLY  33   7.792  -2.672   7.917
  271    H    THR  34           H        THR  34   7.297  -3.580   5.543
  272    HA   THR  34           HA       THR  34   5.876  -2.956   3.765
  273    HB   THR  34           HB       THR  34   5.539  -5.229   4.356
  274    HG1  THR  34           HG1      THR  34   3.589  -3.705   3.202
  275   1HG2  THR  34          1HG2      THR  34   3.160  -4.282   6.076
  276   2HG2  THR  34          3HG2      THR  34   3.419  -5.975   5.666
  277   3HG2  THR  34          2HG2      THR  34   4.547  -5.145   6.691
  278    H    CYS  35           H        CYS  35   6.086  -0.958   5.136
  279    HA   CYS  35           HA       CYS  35   5.388   1.079   5.522
  280   1HB   CYS  35          2HB       CYS  35   2.983   0.290   3.899
  281   2HB   CYS  35          1HB       CYS  35   3.769   1.823   4.137
   
  No H/Q in entry =         281
  Start of MODEL   16
    1   1H    ARG   1          2H        ARG   1  -0.969  -2.941  -2.355
    2   2H    ARG   1          1H        ARG   1  -2.029  -1.935  -3.217
    3   3H    ARG   1          3H        ARG   1  -0.935  -2.936  -4.052
    4    HA   ARG   1           HA       ARG   1   0.630  -1.381  -4.000
    5   1HB   ARG   1          2HB       ARG   1  -1.554   0.124  -3.933
    6   2HB   ARG   1          1HB       ARG   1  -1.219   0.301  -2.226
    7   1HG   ARG   1          2HG       ARG   1   0.701   1.193  -4.446
    8   2HG   ARG   1          1HG       ARG   1  -0.365   2.258  -3.558
    9   1HD   ARG   1          2HD       ARG   1   0.792   1.537  -1.412
   10   2HD   ARG   1          1HD       ARG   1   1.948   0.661  -2.398
   11    HE   ARG   1           HE       ARG   1   1.819   3.409  -3.253
   12   1HH1  ARG   1          1HH2      ARG   1   1.986   3.203  -0.212
   13   2HH1  ARG   1          2HH2      ARG   1   3.696   3.248   0.064
   14   1HH2  ARG   1          1HH1      ARG   1   4.389   2.626  -3.309
   15   2HH2  ARG   1          2HH1      ARG   1   5.101   2.904  -1.751
   16    H    SER   2           H        SER   2   1.765  -2.988  -2.682
   17    HA   SER   2           HA       SER   2   1.981  -2.345   0.195
   18   1HB   SER   2          2HB       SER   2   3.434  -4.585  -0.015
   19   2HB   SER   2          1HB       SER   2   1.675  -4.724  -0.132
   20    HG   SER   2           HG       SER   2   3.601  -5.001  -2.060
   21    H    CYS   3           H        CYS   3   4.316  -2.531   0.978
   22    HA   CYS   3           HA       CYS   3   5.961  -0.765  -0.718
   23   1HB   CYS   3          2HB       CYS   3   6.219  -1.564   2.194
   24   2HB   CYS   3          1HB       CYS   3   6.990  -0.207   1.374
   25    H    ILE   4           H        ILE   4   8.591  -1.319   0.040
   26    HA   ILE   4           HA       ILE   4   9.023  -4.205  -0.411
   27    HB   ILE   4           HB       ILE   4  10.430  -3.832  -2.406
   28   1HG1  ILE   4          2HG1      ILE   4  10.044  -0.823  -1.936
   29   2HG1  ILE   4          1HG1      ILE   4  11.546  -1.681  -1.667
   30   1HG2  ILE   4          2HG2      ILE   4   7.958  -3.831  -2.807
   31   2HG2  ILE   4          1HG2      ILE   4   7.944  -2.088  -2.680
   32   3HG2  ILE   4          3HG2      ILE   4   8.793  -2.864  -3.998
   33   1HD1  ILE   4          1HD1      ILE   4  11.649  -2.283  -4.086
   34   2HD1  ILE   4          3HD1      ILE   4  10.193  -1.351  -4.389
   35   3HD1  ILE   4          2HD1      ILE   4  11.647  -0.549  -3.831
   36    H    ASP   5           H        ASP   5  11.556  -4.273  -0.921
   37    HA   ASP   5           HA       ASP   5  12.747  -3.663   1.717
   38   1HB   ASP   5          2HB       ASP   5  12.809  -5.993   0.611
   39   2HB   ASP   5          1HB       ASP   5  13.987  -5.283  -0.468
   40    H    THR   6           H        THR   6  14.793  -2.944   1.848
   41    HA   THR   6           HA       THR   6  16.016  -1.351  -0.381
   42    HB   THR   6           HB       THR   6  16.216  -0.620   2.639
   43    HG1  THR   6           HG1      THR   6  13.974  -0.753   2.018
   44   1HG2  THR   6          1HG2      THR   6  16.098   1.130   0.125
   45   2HG2  THR   6          3HG2      THR   6  16.476   1.656   1.754
   46   3HG2  THR   6          2HG2      THR   6  17.617   0.667   0.864
   47    H    ILE   7           H        ILE   7  16.206  -2.790   2.708
   48    HA   ILE   7           HA       ILE   7  18.335  -4.670   2.182
   49    HB   ILE   7           HB       ILE   7  19.596  -4.084   4.190
   50   1HG1  ILE   7          2HG1      ILE   7  19.141  -1.648   5.023
   51   2HG1  ILE   7          1HG1      ILE   7  17.540  -1.982   4.381
   52   1HG2  ILE   7          2HG2      ILE   7  20.338  -3.154   2.069
   53   2HG2  ILE   7          1HG2      ILE   7  19.319  -1.743   2.287
   54   3HG2  ILE   7          3HG2      ILE   7  20.675  -2.018   3.368
   55   1HD1  ILE   7          3HD1      ILE   7  18.952  -3.777   6.410
   56   2HD1  ILE   7          2HD1      ILE   7  17.760  -2.563   6.874
   57   3HD1  ILE   7          1HD1      ILE   7  17.293  -3.950   5.954
   58    HA   PRO   8           HA       PRO   8  15.083  -6.201   4.943
   59   1HB   PRO   8          2HB       PRO   8  16.052  -8.993   4.448
   60   2HB   PRO   8          1HB       PRO   8  14.806  -8.124   3.629
   61   1HG   PRO   8          2HG       PRO   8  17.302  -8.886   2.602
   62   2HG   PRO   8          1HG       PRO   8  16.383  -7.541   1.928
   63   1HD   PRO   8          2HD       PRO   8  18.423  -7.370   4.214
   64   2HD   PRO   8          1HD       PRO   8  18.534  -6.550   2.677
   65    H    LYS   9           H        LYS   9  15.696  -8.623   5.980
   66    HA   LYS   9           HA       LYS   9  15.870  -8.647   8.515
   67   1HB   LYS   9          2HB       LYS   9  15.820 -10.461   6.702
   68   2HB   LYS   9          1HB       LYS   9  17.538 -10.387   6.768
   69   1HG   LYS   9          2HG       LYS   9  16.861 -12.281   8.173
   70   2HG   LYS   9          1HG       LYS   9  17.655 -11.046   9.125
   71   1HD   LYS   9          2HD       LYS   9  15.490 -10.217   9.967
   72   2HD   LYS   9          1HD       LYS   9  14.623 -11.380   8.986
   73   1HE   LYS   9          2HE       LYS   9  16.634 -12.040  11.198
   74   2HE   LYS   9          1HE       LYS   9  14.890 -12.173  11.334
   75   1HZ   LYS   9          3HZ       LYS   9  15.659 -13.585   9.050
   76   2HZ   LYS   9          2HZ       LYS   9  16.688 -14.060  10.316
   77   3HZ   LYS   9          1HZ       LYS   9  15.008 -14.188  10.491
   78    H    SER  10           H        SER  10  18.465  -8.371   6.348
   79    HA   SER  10           HA       SER  10  20.782  -8.648   7.738
   80   1HB   SER  10          2HB       SER  10  20.251  -6.280   5.845
   81   2HB   SER  10          1HB       SER  10  21.763  -7.206   5.978
   82    HG   SER  10           HG       SER  10  20.889  -8.585   4.650
   83    H    ARG  11           H        ARG  11  18.883  -5.773   7.808
   84    HA   ARG  11           HA       ARG  11  20.244  -5.015  10.350
   85   1HB   ARG  11          2HB       ARG  11  19.547  -3.000   8.152
   86   2HB   ARG  11          1HB       ARG  11  20.454  -2.780   9.592
   87   1HG   ARG  11          2HG       ARG  11  22.395  -3.915   8.787
   88   2HG   ARG  11          1HG       ARG  11  21.515  -4.729   7.516
   89   1HD   ARG  11          2HD       ARG  11  22.866  -2.898   6.578
   90   2HD   ARG  11          1HD       ARG  11  21.151  -2.598   6.340
   91    HE   ARG  11           HE       ARG  11  21.673  -1.342   8.756
   92   1HH1  ARG  11          2HH1      ARG  11  24.215  -0.674   8.454
   93   2HH1  ARG  11          1HH1      ARG  11  24.341   0.672   7.366
   94   1HH2  ARG  11          1HH2      ARG  11  21.082  -0.033   6.158
   95   2HH2  ARG  11          2HH2      ARG  11  22.415   1.054   5.942
   96    H    CYS  12           H        CYS  12  17.855  -6.453   9.529
   97    HA   CYS  12           HA       CYS  12  15.815  -4.720  10.678
   98   1HB   CYS  12          2HB       CYS  12  15.706  -6.491   8.336
   99   2HB   CYS  12          1HB       CYS  12  14.379  -6.114   9.319
  100    H    THR  13           H        THR  13  14.916  -5.733  12.313
  101    HA   THR  13           HA       THR  13  14.532  -8.667  12.290
  102    HB   THR  13           HB       THR  13  15.706  -8.816  14.571
  103    HG1  THR  13           HG1      THR  13  16.786  -6.512  14.743
  104   1HG2  THR  13          2HG2      THR  13  17.092  -8.716  12.305
  105   2HG2  THR  13          1HG2      THR  13  17.315  -7.019  12.613
  106   3HG2  THR  13          3HG2      THR  13  18.012  -8.193  13.702
  107    H    ALA  14           H        ALA  14  12.827  -9.256  13.946
  108    HA   ALA  14           HA       ALA  14  10.605  -7.613  13.843
  109   1HB   ALA  14          2HB       ALA  14  11.396  -9.444  16.180
  110   2HB   ALA  14          1HB       ALA  14   9.781  -8.828  15.882
  111   3HB   ALA  14          3HB       ALA  14  10.516  -9.937  14.742
  112    H    PHE  15           H        PHE  15  13.320  -7.209  15.832
  113    HA   PHE  15           HA       PHE  15  12.089  -5.335  17.717
  114   1HB   PHE  15          2HB       PHE  15  14.278  -6.750  18.034
  115   2HB   PHE  15          1HB       PHE  15  15.061  -5.619  16.952
  116    HD1  PHE  15           HD2      PHE  15  13.397  -6.003  20.224
  117    HD2  PHE  15           HD1      PHE  15  15.657  -3.373  17.737
  118    HE1  PHE  15           HE2      PHE  15  13.772  -4.522  22.134
  119    HE2  PHE  15           HE1      PHE  15  16.030  -1.894  19.645
  120    HZ   PHE  15           HZ       PHE  15  15.091  -2.458  21.853
  121    H    GLN  16           H        GLN  16  14.228  -5.065  14.854
  122    HA   GLN  16           HA       GLN  16  13.981  -2.191  14.718
  123   1HB   GLN  16          2HB       GLN  16  14.503  -4.072  12.380
  124   2HB   GLN  16          1HB       GLN  16  14.903  -2.391  12.445
  125   1HG   GLN  16          2HG       GLN  16  16.150  -3.999  14.642
  126   2HG   GLN  16          1HG       GLN  16  16.750  -4.332  13.029
  127   1HE2  GLN  16          2HE2      GLN  16  17.220  -0.433  14.036
  128   2HE2  GLN  16          1HE2      GLN  16  15.669  -1.066  14.266
  129    H    CYS  17           H        CYS  17  12.376  -4.787  13.009
  130    HA   CYS  17           HA       CYS  17  10.663  -3.347  11.351
  131   1HB   CYS  17          2HB       CYS  17  10.212  -6.095  12.570
  132   2HB   CYS  17          1HB       CYS  17   9.702  -5.530  11.009
  133    H    LYS  18           H        LYS  18  10.192  -4.301  14.721
  134    HA   LYS  18           HA       LYS  18   7.412  -3.228  14.576
  135   1HB   LYS  18          2HB       LYS  18   8.210  -5.456  15.584
  136   2HB   LYS  18          1HB       LYS  18   8.748  -4.547  16.957
  137   1HG   LYS  18          2HG       LYS  18   6.561  -3.852  17.547
  138   2HG   LYS  18          1HG       LYS  18   5.909  -4.198  15.965
  139   1HD   LYS  18          2HD       LYS  18   6.866  -6.333  17.928
  140   2HD   LYS  18          1HD       LYS  18   5.199  -5.874  17.669
  141   1HE   LYS  18          2HE       LYS  18   5.418  -7.780  16.254
  142   2HE   LYS  18          1HE       LYS  18   5.600  -6.450  15.135
  143   1HZ   LYS  18          3HZ       LYS  18   8.133  -7.138  16.194
  144   2HZ   LYS  18          2HZ       LYS  18   7.358  -8.527  15.620
  145   3HZ   LYS  18          1HZ       LYS  18   7.598  -7.205  14.583
  146    H    HIS  19           H        HIS  19  10.568  -2.573  16.117
  147    HA   HIS  19           HA       HIS  19   9.455  -0.290  17.525
  148   1HB   HIS  19          2HB       HIS  19  12.268  -1.410  17.573
  149   2HB   HIS  19          1HB       HIS  19  11.494  -0.289  18.669
  150    HD1  HIS  19           HD1      HIS  19   9.030  -2.406  18.158
  151    HD2  HIS  19           HD2      HIS  19  12.589  -2.785  20.090
  152    HE1  HIS  19           HE1      HIS  19   8.793  -4.244  19.632
  153    H    SER  20           H        SER  20  12.102  -0.927  15.057
  154    HA   SER  20           HA       SER  20  12.515   1.942  14.852
  155   1HB   SER  20          2HB       SER  20  13.640  -0.431  13.243
  156   2HB   SER  20          1HB       SER  20  14.333   1.190  13.352
  157    HG   SER  20           HG       SER  20  13.824   0.289  15.808
  158    H    MET  21           H        MET  21  10.321   2.393  14.385
  159    HA   MET  21           HA       MET  21   8.754   1.416  12.255
  160   1HB   MET  21          2HB       MET  21   9.112   4.337  13.158
  161   2HB   MET  21          1HB       MET  21   7.776   3.786  12.174
  162   1HG   MET  21          2HG       MET  21   6.796   2.578  13.878
  163   2HG   MET  21          1HG       MET  21   8.269   2.335  14.759
  164   1HE   MET  21          2HE       MET  21   9.113   3.571  16.568
  165   2HE   MET  21          1HE       MET  21   9.594   4.877  15.457
  166   3HE   MET  21          3HE       MET  21   8.745   5.238  16.947
  167    H    LYS  22           H        LYS  22  11.158   4.055  11.886
  168    HA   LYS  22           HA       LYS  22  10.766   4.221   9.078
  169   1HB   LYS  22          2HB       LYS  22  12.135   5.865  10.442
  170   2HB   LYS  22          1HB       LYS  22  13.383   4.643  10.642
  171   1HG   LYS  22          2HG       LYS  22  13.813   4.613   8.224
  172   2HG   LYS  22          1HG       LYS  22  12.468   5.697   7.924
  173   1HD   LYS  22          2HD       LYS  22  13.623   7.481   9.220
  174   2HD   LYS  22          1HD       LYS  22  14.952   6.386   9.573
  175   1HE   LYS  22          2HE       LYS  22  15.359   6.142   7.085
  176   2HE   LYS  22          1HE       LYS  22  14.069   7.304   6.799
  177   1HZ   LYS  22          1HZ       LYS  22  15.798   8.416   8.685
  178   2HZ   LYS  22          3HZ       LYS  22  16.748   7.817   7.414
  179   3HZ   LYS  22          2HZ       LYS  22  15.503   8.921   7.094
  180    H    TYR  23           H        TYR  23  12.384   1.801  10.863
  181    HA   TYR  23           HA       TYR  23  13.898   0.719   8.620
  182   1HB   TYR  23          2HB       TYR  23  13.288  -0.013  11.428
  183   2HB   TYR  23          1HB       TYR  23  13.722  -1.379  10.576
  184    HD1  TYR  23           HD1      TYR  23  14.723   2.205  11.091
  185    HD2  TYR  23           HD2      TYR  23  16.157  -1.770  10.499
  186    HE1  TYR  23           HE1      TYR  23  17.018   2.975  11.445
  187    HE2  TYR  23           HE2      TYR  23  18.434  -0.999  10.854
  188    HH   TYR  23           HH       TYR  23  19.726   0.759  11.470
  189    H    ARG  24           H        ARG  24  10.968  -0.176  10.354
  190    HA   ARG  24           HA       ARG  24  10.242  -2.264   8.525
  191   1HB   ARG  24          2HB       ARG  24   8.543  -2.594  10.182
  192   2HB   ARG  24          1HB       ARG  24   9.498  -1.468  11.058
  193   1HG   ARG  24          2HG       ARG  24   7.671  -0.266  11.359
  194   2HG   ARG  24          1HG       ARG  24   7.781   0.306   9.729
  195   1HD   ARG  24          2HD       ARG  24   5.653  -0.662   9.537
  196   2HD   ARG  24          1HD       ARG  24   6.498  -2.139   9.382
  197    HE   ARG  24           HE       ARG  24   6.222  -2.539  11.786
  198   1HH1  ARG  24          1HH2      ARG  24   3.811  -1.133  10.055
  199   2HH1  ARG  24          2HH2      ARG  24   2.898  -0.513  11.375
  200   1HH2  ARG  24          2HH1      ARG  24   5.556  -1.268  13.618
  201   2HH2  ARG  24          1HH1      ARG  24   3.964  -0.569  13.585
  202    H    LEU  25           H        LEU  25   9.460   1.132   8.698
  203    HA   LEU  25           HA       LEU  25   7.666   1.147   6.414
  204   1HB   LEU  25          2HB       LEU  25   8.526   3.066   8.585
  205   2HB   LEU  25          1HB       LEU  25   7.860   3.662   7.138
  206    HG   LEU  25           HG       LEU  25   6.243   1.429   8.366
  207   1HD1  LEU  25          3HD1      LEU  25   6.412   4.151   9.758
  208   2HD1  LEU  25          2HD1      LEU  25   5.285   2.852  10.126
  209   3HD1  LEU  25          1HD1      LEU  25   7.000   2.633  10.424
  210   1HD2  LEU  25          2HD2      LEU  25   5.474   2.933   6.413
  211   2HD2  LEU  25          1HD2      LEU  25   4.387   2.958   7.785
  212   3HD2  LEU  25          3HD2      LEU  25   5.502   4.287   7.519
  213    H    SER  26           H        SER  26  11.013   1.315   6.681
  214    HA   SER  26           HA       SER  26  11.045   2.813   4.085
  215   1HB   SER  26          2HB       SER  26  11.970   4.114   6.249
  216   2HB   SER  26          1HB       SER  26  13.400   3.137   5.967
  217    HG   SER  26           HG       SER  26  12.850   3.916   3.611
  218    H    PHE  27           H        PHE  27  13.024   0.732   6.227
  219    HA   PHE  27           HA       PHE  27  14.463  -0.177   3.821
  220   1HB   PHE  27          2HB       PHE  27  14.778  -1.147   6.671
  221   2HB   PHE  27          1HB       PHE  27  15.791  -1.592   5.335
  222    HD1  PHE  27           HD2      PHE  27  15.569   1.498   4.167
  223    HD2  PHE  27           HD1      PHE  27  16.750  -0.318   7.857
  224    HE1  PHE  27           HE2      PHE  27  16.985   3.406   4.663
  225    HE2  PHE  27           HE1      PHE  27  18.170   1.612   8.338
  226    HZ   PHE  27           HZ       PHE  27  18.293   3.479   6.746
  227    H    CYS  28           H        CYS  28  12.704  -1.846   6.272
  228    HA   CYS  28           HA       CYS  28  12.483  -4.328   4.778
  229   1HB   CYS  28          2HB       CYS  28  11.035  -4.031   7.355
  230   2HB   CYS  28          1HB       CYS  28  12.206  -5.190   6.927
  231    H    ARG  29           H        ARG  29  10.912  -1.978   3.972
  232    HA   ARG  29           HA       ARG  29   8.139  -2.348   4.610
  233   1HB   ARG  29          2HB       ARG  29   8.668  -1.377   1.898
  234   2HB   ARG  29          1HB       ARG  29   7.808  -0.651   3.241
  235   1HG   ARG  29          2HG       ARG  29   9.848   0.219   4.194
  236   2HG   ARG  29          1HG       ARG  29  10.810  -0.551   2.928
  237   1HD   ARG  29          2HD       ARG  29  10.359   1.789   2.317
  238   2HD   ARG  29          1HD       ARG  29   9.645   0.678   1.174
  239    HE   ARG  29           HE       ARG  29   7.602   1.092   2.994
  240   1HH1  ARG  29          2HH1      ARG  29   9.166   3.618   3.314
  241   2HH1  ARG  29          1HH1      ARG  29   8.379   4.711   2.221
  242   1HH2  ARG  29          1HH2      ARG  29   6.683   1.953   0.756
  243   2HH2  ARG  29          2HH2      ARG  29   6.805   3.680   0.664
  244    H    LYS  30           H        LYS  30  10.097  -4.384   3.026
  245    HA   LYS  30           HA       LYS  30   8.210  -5.406   1.053
  246   1HB   LYS  30          2HB       LYS  30   9.860  -7.377   0.988
  247   2HB   LYS  30          1HB       LYS  30  10.561  -5.833   0.590
  248   1HG   LYS  30          2HG       LYS  30  11.909  -5.838   2.436
  249   2HG   LYS  30          1HG       LYS  30  10.647  -6.315   3.509
  250   1HD   LYS  30          2HD       LYS  30  12.249  -8.101   3.566
  251   2HD   LYS  30          1HD       LYS  30  10.850  -8.686   2.696
  252   1HE   LYS  30          2HE       LYS  30  12.059  -8.138   0.522
  253   2HE   LYS  30          1HE       LYS  30  13.494  -7.834   1.500
  254   1HZ   LYS  30          2HZ       LYS  30  12.363 -10.253   2.323
  255   2HZ   LYS  30          1HZ       LYS  30  12.520 -10.284   0.635
  256   3HZ   LYS  30          3HZ       LYS  30  13.871  -9.967   1.611
  257    H    THR  31           H        THR  31   8.952  -6.213   4.409
  258    HA   THR  31           HA       THR  31   6.467  -7.526   4.695
  259    HB   THR  31           HB       THR  31   7.816  -9.257   3.218
  260    HG1  THR  31           HG1      THR  31   6.244 -10.272   4.253
  261   1HG2  THR  31          1HG2      THR  31  10.022  -9.044   4.543
  262   2HG2  THR  31          3HG2      THR  31   9.204  -9.832   5.883
  263   3HG2  THR  31          2HG2      THR  31   9.440 -10.691   4.378
  264    H    CYS  32           H        CYS  32   9.726  -7.393   5.955
  265    HA   CYS  32           HA       CYS  32   9.055  -8.229   8.615
  266   1HB   CYS  32          2HB       CYS  32  11.351  -6.998   7.469
  267   2HB   CYS  32          1HB       CYS  32  10.836  -5.902   8.617
  268    H    GLY  33           H        GLY  33   8.977  -5.340   6.919
  269   1HA   GLY  33          2HA       GLY  33   7.625  -4.041   9.188
  270   2HA   GLY  33          1HA       GLY  33   8.577  -3.222   7.943
  271    H    THR  34           H        THR  34   7.725  -3.608   5.765
  272    HA   THR  34           HA       THR  34   6.160  -2.885   4.179
  273    HB   THR  34           HB       THR  34   5.702  -5.203   4.314
  274    HG1  THR  34           HG1      THR  34   3.433  -3.540   4.285
  275   1HG2  THR  34          2HG2      THR  34   3.694  -4.519   6.554
  276   2HG2  THR  34          1HG2      THR  34   3.783  -6.097   5.780
  277   3HG2  THR  34          3HG2      THR  34   5.110  -5.520   6.752
  278    H    CYS  35           H        CYS  35   6.398  -0.978   5.666
  279    HA   CYS  35           HA       CYS  35   5.567   0.886   6.532
  280   1HB   CYS  35          2HB       CYS  35   3.423   0.254   4.498
  281   2HB   CYS  35          1HB       CYS  35   3.842   1.770   5.234
   
  No H/Q in entry =         281
  Start of MODEL   17
    1   1H    ARG   1          2H        ARG   1   3.851   1.392  -2.281
    2   2H    ARG   1          1H        ARG   1   3.107   2.567  -3.255
    3   3H    ARG   1          3H        ARG   1   2.281   1.933  -1.909
    4    HA   ARG   1           HA       ARG   1   1.442   0.321  -3.116
    5   1HB   ARG   1          2HB       ARG   1   3.185   1.534  -5.309
    6   2HB   ARG   1          1HB       ARG   1   2.008   0.271  -5.608
    7   1HG   ARG   1          2HG       ARG   1   1.047   2.730  -4.141
    8   2HG   ARG   1          1HG       ARG   1   1.324   2.865  -5.863
    9   1HD   ARG   1          2HD       ARG   1  -1.046   2.208  -5.305
   10   2HD   ARG   1          1HD       ARG   1  -0.241   1.009  -6.301
   11    HE   ARG   1           HE       ARG   1  -0.617   0.735  -3.335
   12   1HH1  ARG   1          1HH1      ARG   1  -1.565  -0.447  -6.288
   13   2HH1  ARG   1          2HH1      ARG   1  -1.294  -2.117  -5.926
   14   1HH2  ARG   1          1HH2      ARG   1   0.264  -1.366  -2.884
   15   2HH2  ARG   1          2HH2      ARG   1  -0.218  -2.656  -3.941
   16    H    SER   2           H        SER   2   1.829  -1.803  -3.779
   17    HA   SER   2           HA       SER   2   2.965  -3.864  -3.694
   18   1HB   SER   2          2HB       SER   2   4.186  -2.747  -5.705
   19   2HB   SER   2          1HB       SER   2   5.438  -2.248  -4.559
   20    HG   SER   2           HG       SER   2   5.162  -4.630  -5.685
   21    H    CYS   3           H        CYS   3   5.588  -4.419  -2.956
   22    HA   CYS   3           HA       CYS   3   6.100  -3.180  -0.313
   23   1HB   CYS   3          2HB       CYS   3   5.185  -6.023  -0.739
   24   2HB   CYS   3          1HB       CYS   3   6.320  -5.726   0.538
   25    H    ILE   4           H        ILE   4   8.284  -2.813  -0.250
   26    HA   ILE   4           HA       ILE   4  10.189  -4.837  -1.114
   27    HB   ILE   4           HB       ILE   4  11.418  -3.201  -2.670
   28   1HG1  ILE   4          2HG1      ILE   4   9.023  -1.350  -2.177
   29   2HG1  ILE   4          1HG1      ILE   4  10.623  -1.103  -1.511
   30   1HG2  ILE   4          3HG2      ILE   4   9.707  -4.705  -3.717
   31   2HG2  ILE   4          2HG2      ILE   4   8.488  -3.468  -3.512
   32   3HG2  ILE   4          1HG2      ILE   4   9.841  -3.198  -4.592
   33   1HD1  ILE   4          2HD1      ILE   4  11.555  -0.875  -3.817
   34   2HD1  ILE   4          1HD1      ILE   4   9.944  -1.077  -4.497
   35   3HD1  ILE   4          3HD1      ILE   4  10.304   0.311  -3.486
   36    H    ASP   5           H        ASP   5  12.340  -4.197  -0.731
   37    HA   ASP   5           HA       ASP   5  12.628  -2.356   1.566
   38   1HB   ASP   5          2HB       ASP   5  13.912  -3.938   2.693
   39   2HB   ASP   5          1HB       ASP   5  12.398  -4.641   2.217
   40    H    THR   6           H        THR   6  14.711  -1.484   1.856
   41    HA   THR   6           HA       THR   6  16.440  -1.415  -0.573
   42    HB   THR   6           HB       THR   6  15.639   0.738   0.615
   43    HG1  THR   6           HG1      THR   6  18.276   0.981   1.024
   44   1HG2  THR   6          1HG2      THR   6  15.868  -0.164   2.981
   45   2HG2  THR   6          3HG2      THR   6  17.604  -0.173   2.803
   46   3HG2  THR   6          2HG2      THR   6  16.726   1.345   2.764
   47    H    ILE   7           H        ILE   7  16.142  -2.558   2.610
   48    HA   ILE   7           HA       ILE   7  18.421  -4.356   2.521
   49    HB   ILE   7           HB       ILE   7  19.121  -3.794   4.798
   50   1HG1  ILE   7          2HG1      ILE   7  18.325  -1.348   5.487
   51   2HG1  ILE   7          1HG1      ILE   7  16.927  -1.864   4.547
   52   1HG2  ILE   7          2HG2      ILE   7  19.266  -1.401   2.941
   53   2HG2  ILE   7          1HG2      ILE   7  20.275  -1.637   4.355
   54   3HG2  ILE   7          3HG2      ILE   7  20.380  -2.747   2.995
   55   1HD1  ILE   7          3HD1      ILE   7  18.096  -3.519   6.805
   56   2HD1  ILE   7          2HD1      ILE   7  16.708  -2.465   7.028
   57   3HD1  ILE   7          1HD1      ILE   7  16.594  -3.857   6.018
   58    HA   PRO   8           HA       PRO   8  14.743  -6.033   4.691
   59   1HB   PRO   8          2HB       PRO   8  14.954  -8.571   3.935
   60   2HB   PRO   8          1HB       PRO   8  15.272  -7.366   2.730
   61   1HG   PRO   8          2HG       PRO   8  17.409  -8.865   4.165
   62   2HG   PRO   8          1HG       PRO   8  17.236  -8.465   2.457
   63   1HD   PRO   8          2HD       PRO   8  18.478  -6.846   4.556
   64   2HD   PRO   8          1HD       PRO   8  18.412  -6.434   2.826
   65    H    LYS   9           H        LYS   9  15.591  -8.646   5.483
   66    HA   LYS   9           HA       LYS   9  15.507  -8.823   8.147
   67   1HB   LYS   9          2HB       LYS   9  15.548 -10.565   6.226
   68   2HB   LYS   9          1HB       LYS   9  17.277 -10.461   6.353
   69   1HG   LYS   9          2HG       LYS   9  16.733 -12.388   7.660
   70   2HG   LYS   9          1HG       LYS   9  17.077 -11.125   8.827
   71   1HD   LYS   9          2HD       LYS   9  14.706 -10.713   9.201
   72   2HD   LYS   9          1HD       LYS   9  14.252 -11.815   7.908
   73   1HE   LYS   9          2HE       LYS   9  15.386 -13.686   9.176
   74   2HE   LYS   9          1HE       LYS   9  15.706 -12.550  10.483
   75   1HZ   LYS   9          3HZ       LYS   9  13.007 -12.347   9.832
   76   2HZ   LYS   9          2HZ       LYS   9  13.365 -14.002   9.977
   77   3HZ   LYS   9          1HZ       LYS   9  13.707 -12.940  11.259
   78    H    SER  10           H        SER  10  18.232  -8.035   6.143
   79    HA   SER  10           HA       SER  10  20.308  -8.507   8.045
   80   1HB   SER  10          2HB       SER  10  21.664  -6.747   6.794
   81   2HB   SER  10          1HB       SER  10  20.900  -7.883   5.683
   82    HG   SER  10           HG       SER  10  20.610  -5.278   5.746
   83    H    ARG  11           H        ARG  11  18.171  -5.747   7.939
   84    HA   ARG  11           HA       ARG  11  19.384  -4.973  10.570
   85   1HB   ARG  11          2HB       ARG  11  18.250  -2.904   8.655
   86   2HB   ARG  11          1HB       ARG  11  19.292  -2.744  10.022
   87   1HG   ARG  11          2HG       ARG  11  21.177  -3.866   8.944
   88   2HG   ARG  11          1HG       ARG  11  20.215  -4.162   7.521
   89   1HD   ARG  11          2HD       ARG  11  21.680  -2.126   7.251
   90   2HD   ARG  11          1HD       ARG  11  19.966  -1.803   7.037
   91    HE   ARG  11           HE       ARG  11  19.914  -0.724   9.202
   92   1HH1  ARG  11          2HH1      ARG  11  22.285  -2.576  10.000
   93   2HH1  ARG  11          1HH1      ARG  11  23.486  -1.399  10.428
   94   1HH2  ARG  11          1HH2      ARG  11  21.529   1.126   8.890
   95   2HH2  ARG  11          2HH2      ARG  11  23.013   0.875   9.761
   96    H    CYS  12           H        CYS  12  17.061  -6.546   9.383
   97    HA   CYS  12           HA       CYS  12  14.944  -5.267  11.009
   98   1HB   CYS  12          2HB       CYS  12  14.844  -6.019   8.221
   99   2HB   CYS  12          1HB       CYS  12  13.662  -6.760   9.242
  100    H    THR  13           H        THR  13  14.636  -6.452  12.613
  101    HA   THR  13           HA       THR  13  13.972  -9.304  12.411
  102    HB   THR  13           HB       THR  13  15.674  -9.734  14.292
  103    HG1  THR  13           HG1      THR  13  16.361  -8.056  15.358
  104   1HG2  THR  13          3HG2      THR  13  16.499  -9.560  11.820
  105   2HG2  THR  13          2HG2      THR  13  16.905  -7.904  12.108
  106   3HG2  THR  13          1HG2      THR  13  17.771  -9.147  12.964
  107    H    ALA  14           H        ALA  14  12.267  -9.581  14.006
  108    HA   ALA  14           HA       ALA  14  10.457  -7.619  14.339
  109   1HB   ALA  14          1HB       ALA  14  11.268  -9.572  16.568
  110   2HB   ALA  14          3HB       ALA  14   9.734  -8.725  16.491
  111   3HB   ALA  14          2HB       ALA  14  10.127  -9.925  15.275
  112    H    PHE  15           H        PHE  15  13.327  -7.772  16.158
  113    HA   PHE  15           HA       PHE  15  12.551  -5.647  18.026
  114   1HB   PHE  15          2HB       PHE  15  14.368  -7.334  18.583
  115   2HB   PHE  15          1HB       PHE  15  15.356  -6.690  17.282
  116    HD1  PHE  15           HD2      PHE  15  16.276  -4.362  17.456
  117    HD2  PHE  15           HD1      PHE  15  14.198  -6.174  20.707
  118    HE1  PHE  15           HE2      PHE  15  17.192  -2.680  18.977
  119    HE2  PHE  15           HE1      PHE  15  15.120  -4.491  22.225
  120    HZ   PHE  15           HZ       PHE  15  16.619  -2.737  21.374
  121    H    GLN  16           H        GLN  16  14.596  -5.739  15.116
  122    HA   GLN  16           HA       GLN  16  14.892  -2.805  15.163
  123   1HB   GLN  16          2HB       GLN  16  15.562  -4.734  12.893
  124   2HB   GLN  16          1HB       GLN  16  16.185  -3.118  13.131
  125   1HG   GLN  16          2HG       GLN  16  17.280  -3.789  15.202
  126   2HG   GLN  16          1HG       GLN  16  16.667  -5.425  15.071
  127   1HE2  GLN  16          2HE2      GLN  16  19.010  -6.477  12.675
  128   2HE2  GLN  16          1HE2      GLN  16  17.548  -6.828  13.489
  129    H    CYS  17           H        CYS  17  12.750  -5.085  13.859
  130    HA   CYS  17           HA       CYS  17  11.550  -3.382  11.787
  131   1HB   CYS  17          2HB       CYS  17  10.553  -6.027  12.920
  132   2HB   CYS  17          1HB       CYS  17  10.055  -5.257  11.437
  133    H    LYS  18           H        LYS  18  10.553  -4.501  15.080
  134    HA   LYS  18           HA       LYS  18   8.138  -2.798  14.764
  135   1HB   LYS  18          2HB       LYS  18   8.782  -5.143  16.414
  136   2HB   LYS  18          1HB       LYS  18   8.219  -3.843  17.433
  137   1HG   LYS  18          2HG       LYS  18   6.273  -5.045  16.799
  138   2HG   LYS  18          1HG       LYS  18   6.241  -3.580  15.844
  139   1HD   LYS  18          2HD       LYS  18   7.148  -4.824  13.877
  140   2HD   LYS  18          1HD       LYS  18   7.227  -6.291  14.847
  141   1HE   LYS  18          2HE       LYS  18   4.740  -6.125  15.263
  142   2HE   LYS  18          1HE       LYS  18   4.687  -4.724  14.203
  143   1HZ   LYS  18          2HZ       LYS  18   5.998  -6.779  12.828
  144   2HZ   LYS  18          1HZ       LYS  18   4.581  -7.430  13.512
  145   3HZ   LYS  18          3HZ       LYS  18   4.503  -6.073  12.496
  146    H    HIS  19           H        HIS  19  11.300  -2.589  16.303
  147    HA   HIS  19           HA       HIS  19  10.381  -0.435  18.026
  148   1HB   HIS  19          2HB       HIS  19  13.168  -1.533  17.516
  149   2HB   HIS  19          1HB       HIS  19  12.631  -0.458  18.780
  150    HD1  HIS  19           HD1      HIS  19  10.177  -2.753  18.342
  151    HD2  HIS  19           HD2      HIS  19  13.748  -2.713  20.300
  152    HE1  HIS  19           HE1      HIS  19  10.090  -4.520  19.924
  153    H    SER  20           H        SER  20  12.376  -0.783  14.982
  154    HA   SER  20           HA       SER  20  12.627   2.154  15.013
  155   1HB   SER  20          2HB       SER  20  13.916  -0.055  13.347
  156   2HB   SER  20          1HB       SER  20  14.224   1.661  13.155
  157    HG   SER  20           HG       SER  20  15.459   1.467  14.852
  158    H    MET  21           H        MET  21  10.576   2.873  14.448
  159    HA   MET  21           HA       MET  21   8.814   1.828  12.569
  160   1HB   MET  21          2HB       MET  21   9.359   4.799  13.087
  161   2HB   MET  21          1HB       MET  21   7.912   4.167  12.351
  162   1HG   MET  21          2HG       MET  21   7.120   3.220  14.300
  163   2HG   MET  21          1HG       MET  21   8.673   3.129  15.075
  164   1HE   MET  21          3HE       MET  21  10.081   5.339  15.067
  165   2HE   MET  21          2HE       MET  21   9.505   6.639  16.065
  166   3HE   MET  21          1HE       MET  21   9.598   5.004  16.738
  167    H    LYS  22           H        LYS  22  11.584   3.928  11.899
  168    HA   LYS  22           HA       LYS  22  10.848   4.215   9.137
  169   1HB   LYS  22          2HB       LYS  22  12.483   5.743  10.315
  170   2HB   LYS  22          1HB       LYS  22  13.599   4.396  10.487
  171   1HG   LYS  22          2HG       LYS  22  13.679   4.196   7.957
  172   2HG   LYS  22          1HG       LYS  22  12.685   5.644   7.851
  173   1HD   LYS  22          2HD       LYS  22  15.357   5.437   9.258
  174   2HD   LYS  22          1HD       LYS  22  15.142   6.017   7.612
  175   1HE   LYS  22          2HE       LYS  22  13.684   7.869   8.473
  176   2HE   LYS  22          1HE       LYS  22  14.001   7.331  10.115
  177   1HZ   LYS  22          2HZ       LYS  22  16.452   7.539   8.788
  178   2HZ   LYS  22          1HZ       LYS  22  15.581   8.966   8.503
  179   3HZ   LYS  22          3HZ       LYS  22  15.871   8.454  10.090
  180    H    TYR  23           H        TYR  23  12.599   1.859  10.945
  181    HA   TYR  23           HA       TYR  23  13.766   0.523   8.710
  182   1HB   TYR  23          2HB       TYR  23  13.119  -0.240  11.572
  183   2HB   TYR  23          1HB       TYR  23  13.545  -1.473  10.481
  184    HD1  TYR  23           HD1      TYR  23  14.860   2.063  10.407
  185    HD2  TYR  23           HD2      TYR  23  15.666  -2.021  11.248
  186    HE1  TYR  23           HE1      TYR  23  17.233   2.583  10.650
  187    HE2  TYR  23           HE2      TYR  23  18.039  -1.514  11.490
  188    HH   TYR  23           HH       TYR  23  19.624   0.125  10.905
  189    H    ARG  24           H        ARG  24  10.671   0.029  10.446
  190    HA   ARG  24           HA       ARG  24  10.026  -2.012   8.474
  191   1HB   ARG  24          2HB       ARG  24   7.961  -2.206   9.946
  192   2HB   ARG  24          1HB       ARG  24   9.424  -2.177  10.835
  193   1HG   ARG  24          2HG       ARG  24   8.099  -0.721  12.073
  194   2HG   ARG  24          1HG       ARG  24   8.821   0.453  10.994
  195   1HD   ARG  24          2HD       ARG  24   6.481   0.899  10.704
  196   2HD   ARG  24          1HD       ARG  24   6.811  -0.213   9.388
  197    HE   ARG  24           HE       ARG  24   6.109  -1.821  11.576
  198   1HH1  ARG  24          1HH2      ARG  24   4.907  -1.447   8.876
  199   2HH1  ARG  24          2HH2      ARG  24   3.255  -1.025   9.204
  200   1HH2  ARG  24          2HH1      ARG  24   4.195  -0.369  12.591
  201   2HH2  ARG  24          1HH1      ARG  24   2.799  -0.358  11.556
  202    H    LEU  25           H        LEU  25   8.948   1.436   9.004
  203    HA   LEU  25           HA       LEU  25   7.073   1.344   6.838
  204   1HB   LEU  25          2HB       LEU  25   8.155   3.411   8.744
  205   2HB   LEU  25          1HB       LEU  25   7.301   3.877   7.353
  206    HG   LEU  25           HG       LEU  25   5.985   1.674   8.923
  207   1HD1  LEU  25          3HD1      LEU  25   6.924   3.157  10.739
  208   2HD1  LEU  25          2HD1      LEU  25   6.124   4.543  10.019
  209   3HD1  LEU  25          1HD1      LEU  25   5.175   3.237  10.719
  210   1HD2  LEU  25          3HD2      LEU  25   4.933   4.286   7.792
  211   2HD2  LEU  25          2HD2      LEU  25   4.877   2.725   6.995
  212   3HD2  LEU  25          1HD2      LEU  25   3.956   2.992   8.461
  213    H    SER  26           H        SER  26  10.357   1.419   6.639
  214    HA   SER  26           HA       SER  26  10.113   2.592   3.920
  215   1HB   SER  26          2HB       SER  26  11.777   4.291   4.154
  216   2HB   SER  26          1HB       SER  26  10.710   4.473   5.554
  217    HG   SER  26           HG       SER  26  12.175   3.709   6.844
  218    H    PHE  27           H        PHE  27  12.618   1.533   6.166
  219    HA   PHE  27           HA       PHE  27  14.351   0.570   4.111
  220   1HB   PHE  27          2HB       PHE  27  14.181  -0.728   6.862
  221   2HB   PHE  27          1HB       PHE  27  15.361  -1.038   5.664
  222    HD1  PHE  27           HD1      PHE  27  14.516   2.536   5.760
  223    HD2  PHE  27           HD2      PHE  27  16.948  -0.473   7.566
  224    HE1  PHE  27           HE1      PHE  27  16.001   4.248   6.644
  225    HE2  PHE  27           HE2      PHE  27  18.432   1.265   8.441
  226    HZ   PHE  27           HZ       PHE  27  17.965   3.625   7.989
  227    H    CYS  28           H        CYS  28  12.252  -1.382   6.091
  228    HA   CYS  28           HA       CYS  28  12.455  -3.718   4.350
  229   1HB   CYS  28          2HB       CYS  28  11.189  -3.403   7.005
  230   2HB   CYS  28          1HB       CYS  28  11.722  -4.824   6.357
  231    H    ARG  29           H        ARG  29  10.584  -1.523   3.534
  232    HA   ARG  29           HA       ARG  29   7.949  -2.378   4.127
  233   1HB   ARG  29          2HB       ARG  29   9.152  -0.897   1.757
  234   2HB   ARG  29          1HB       ARG  29   7.439  -1.098   1.992
  235   1HG   ARG  29          2HG       ARG  29   7.683   0.029   4.236
  236   2HG   ARG  29          1HG       ARG  29   9.383   0.288   3.894
  237   1HD   ARG  29          2HD       ARG  29   8.189   2.323   3.170
  238   2HD   ARG  29          1HD       ARG  29   8.623   1.462   1.704
  239    HE   ARG  29           HE       ARG  29   6.110   0.466   2.444
  240   1HH1  ARG  29          2HH1      ARG  29   6.190   3.327   3.388
  241   2HH1  ARG  29          1HH1      ARG  29   5.348   4.167   2.119
  242   1HH2  ARG  29          1HH2      ARG  29   5.750   1.340  -0.002
  243   2HH2  ARG  29          2HH2      ARG  29   5.127   2.954   0.031
  244    H    LYS  30           H        LYS  30   9.969  -4.485   3.061
  245    HA   LYS  30           HA       LYS  30   8.468  -5.630   0.840
  246   1HB   LYS  30          2HB       LYS  30  10.268  -7.354   0.957
  247   2HB   LYS  30          1HB       LYS  30  10.927  -5.765   0.751
  248   1HG   LYS  30          2HG       LYS  30  12.366  -6.704   2.352
  249   2HG   LYS  30          1HG       LYS  30  11.304  -5.779   3.361
  250   1HD   LYS  30          2HD       LYS  30  10.357  -7.643   4.310
  251   2HD   LYS  30          1HD       LYS  30  10.428  -8.616   2.853
  252   1HE   LYS  30          2HE       LYS  30  12.907  -8.826   3.251
  253   2HE   LYS  30          1HE       LYS  30  12.732  -7.907   4.751
  254   1HZ   LYS  30          2HZ       LYS  30  10.824  -9.960   4.714
  255   2HZ   LYS  30          1HZ       LYS  30  12.319 -10.638   4.319
  256   3HZ   LYS  30          3HZ       LYS  30  12.142  -9.767   5.770
  257    H    THR  31           H        THR  31   9.056  -5.981   4.323
  258    HA   THR  31           HA       THR  31   6.569  -7.534   4.599
  259    HB   THR  31           HB       THR  31   9.100  -9.057   5.031
  260    HG1  THR  31           HG1      THR  31   7.296  -9.003   2.982
  261   1HG2  THR  31          1HG2      THR  31   7.337  -9.681   6.742
  262   2HG2  THR  31          3HG2      THR  31   6.256 -10.026   5.409
  263   3HG2  THR  31          2HG2      THR  31   7.694 -10.991   5.622
  264    H    CYS  32           H        CYS  32   9.681  -7.367   6.199
  265    HA   CYS  32           HA       CYS  32   8.721  -7.351   8.884
  266   1HB   CYS  32          2HB       CYS  32  11.153  -6.681   7.556
  267   2HB   CYS  32          1HB       CYS  32  10.864  -5.480   8.749
  268    H    GLY  33           H        GLY  33   8.964  -5.050   6.521
  269   1HA   GLY  33          2HA       GLY  33   8.276  -2.867   8.225
  270   2HA   GLY  33          1HA       GLY  33   8.682  -2.798   6.518
  271    H    THR  34           H        THR  34   6.790  -4.476   5.565
  272    HA   THR  34           HA       THR  34   4.209  -3.620   6.589
  273    HB   THR  34           HB       THR  34   4.216  -2.643   3.867
  274    HG1  THR  34           HG1      THR  34   5.988  -1.838   3.545
  275   1HG2  THR  34          1HG2      THR  34   3.050  -1.450   5.971
  276   2HG2  THR  34          3HG2      THR  34   4.663  -0.942   6.431
  277   3HG2  THR  34          2HG2      THR  34   3.948  -0.330   4.955
  278    H    CYS  35           H        CYS  35   5.180  -6.308   5.806
  279    HA   CYS  35           HA       CYS  35   2.776  -7.133   4.455
  280   1HB   CYS  35          2HB       CYS  35   5.299  -6.733   2.971
  281   2HB   CYS  35          1HB       CYS  35   4.670  -8.322   2.773
   
  No H/Q in entry =         281
  Start of MODEL   18
    1   1H    ARG   1          3H        ARG   1  -0.446  -3.469  -5.431
    2   2H    ARG   1          2H        ARG   1  -1.285  -2.376  -4.425
    3   3H    ARG   1          1H        ARG   1  -0.704  -1.857  -5.923
    4    HA   ARG   1           HA       ARG   1   1.198  -1.261  -5.008
    5   1HB   ARG   1          2HB       ARG   1   0.064  -2.558  -2.493
    6   2HB   ARG   1          1HB       ARG   1   1.549  -1.655  -2.492
    7   1HG   ARG   1          2HG       ARG   1   0.063  -0.046  -1.713
    8   2HG   ARG   1          1HG       ARG   1   0.069   0.333  -3.421
    9   1HD   ARG   1          2HD       ARG   1  -2.051  -1.511  -2.277
   10   2HD   ARG   1          1HD       ARG   1  -2.238   0.234  -2.269
   11    HE   ARG   1           HE       ARG   1  -1.510  -0.630  -4.899
   12   1HH1  ARG   1          1HH1      ARG   1  -3.551  -2.618  -4.149
   13   2HH1  ARG   1          2HH1      ARG   1  -5.040  -1.845  -4.590
   14   1HH2  ARG   1          1HH2      ARG   1  -3.488   1.291  -4.777
   15   2HH2  ARG   1          2HH2      ARG   1  -5.003   0.467  -4.964
   16    H    SER   2           H        SER   2   3.214  -2.108  -3.869
   17    HA   SER   2           HA       SER   2   3.628  -4.991  -3.824
   18   1HB   SER   2          2HB       SER   2   5.465  -4.829  -5.654
   19   2HB   SER   2          1HB       SER   2   3.847  -4.544  -6.297
   20    HG   SER   2           HG       SER   2   5.077  -2.313  -5.241
   21    H    CYS   3           H        CYS   3   5.083  -5.238  -2.145
   22    HA   CYS   3           HA       CYS   3   6.467  -2.798  -1.191
   23   1HB   CYS   3          2HB       CYS   3   6.716  -4.224   0.862
   24   2HB   CYS   3          1HB       CYS   3   5.081  -3.850   0.410
   25    H    ILE   4           H        ILE   4   8.650  -2.814  -0.736
   26    HA   ILE   4           HA       ILE   4  10.336  -5.105  -1.356
   27    HB   ILE   4           HB       ILE   4  11.696  -3.778  -3.083
   28   1HG1  ILE   4          2HG1      ILE   4   9.602  -1.590  -2.584
   29   2HG1  ILE   4          1HG1      ILE   4  11.294  -1.509  -2.148
   30   1HG2  ILE   4          2HG2      ILE   4   9.782  -5.118  -3.988
   31   2HG2  ILE   4          1HG2      ILE   4   8.740  -3.717  -3.859
   32   3HG2  ILE   4          3HG2      ILE   4  10.084  -3.713  -4.982
   33   1HD1  ILE   4          1HD1      ILE   4  11.928  -1.608  -4.564
   34   2HD1  ILE   4          3HD1      ILE   4  10.224  -1.610  -5.002
   35   3HD1  ILE   4          2HD1      ILE   4  10.920  -0.223  -4.192
   36    H    ASP   5           H        ASP   5  12.602  -4.425  -0.938
   37    HA   ASP   5           HA       ASP   5  12.714  -2.458   1.282
   38   1HB   ASP   5          2HB       ASP   5  14.185  -3.934   2.436
   39   2HB   ASP   5          1HB       ASP   5  12.638  -4.652   2.150
   40    H    THR   6           H        THR   6  14.746  -1.585   1.667
   41    HA   THR   6           HA       THR   6  16.460  -1.394  -0.796
   42    HB   THR   6           HB       THR   6  16.829   0.125   1.881
   43    HG1  THR   6           HG1      THR   6  14.765   0.034   0.060
   44   1HG2  THR   6          1HG2      THR   6  17.122   0.988  -1.063
   45   2HG2  THR   6          3HG2      THR   6  17.565   1.922   0.357
   46   3HG2  THR   6          2HG2      THR   6  18.495   0.493  -0.079
   47    H    ILE   7           H        ILE   7  16.260  -2.430   2.431
   48    HA   ILE   7           HA       ILE   7  18.360  -4.423   2.260
   49    HB   ILE   7           HB       ILE   7  19.376  -3.763   4.399
   50   1HG1  ILE   7          2HG1      ILE   7  18.804  -1.262   5.040
   51   2HG1  ILE   7          1HG1      ILE   7  17.299  -1.685   4.239
   52   1HG2  ILE   7          1HG2      ILE   7  20.424  -2.884   2.348
   53   2HG2  ILE   7          3HG2      ILE   7  19.416  -1.453   2.412
   54   3HG2  ILE   7          2HG2      ILE   7  20.607  -1.741   3.665
   55   1HD1  ILE   7          2HD1      ILE   7  18.477  -3.327   6.518
   56   2HD1  ILE   7          1HD1      ILE   7  17.213  -2.133   6.755
   57   3HD1  ILE   7          3HD1      ILE   7  16.898  -3.572   5.854
   58    HA   PRO   8           HA       PRO   8  14.703  -5.602   4.694
   59   1HB   PRO   8          2HB       PRO   8  14.694  -8.225   4.087
   60   2HB   PRO   8          1HB       PRO   8  14.876  -7.094   2.792
   61   1HG   PRO   8          2HG       PRO   8  17.029  -8.780   3.997
   62   2HG   PRO   8          1HG       PRO   8  16.802  -8.253   2.333
   63   1HD   PRO   8          2HD       PRO   8  18.243  -6.893   4.502
   64   2HD   PRO   8          1HD       PRO   8  18.267  -6.482   2.765
   65    H    LYS   9           H        LYS   9  15.040  -8.202   5.677
   66    HA   LYS   9           HA       LYS   9  15.149  -8.252   8.278
   67   1HB   LYS   9          2HB       LYS   9  14.817 -10.040   6.472
   68   2HB   LYS   9          1HB       LYS   9  16.543 -10.200   6.475
   69   1HG   LYS   9          2HG       LYS   9  15.799 -11.976   7.937
   70   2HG   LYS   9          1HG       LYS   9  16.476 -10.745   8.984
   71   1HD   LYS   9          2HD       LYS   9  14.161  -9.838   9.419
   72   2HD   LYS   9          1HD       LYS   9  13.490 -11.120   8.429
   73   1HE   LYS   9          2HE       LYS   9  15.151 -11.501  10.957
   74   2HE   LYS   9          1HE       LYS   9  13.413 -11.738  10.816
   75   1HZ   LYS   9          3HZ       LYS   9  14.644 -13.222   8.792
   76   2HZ   LYS   9          2HZ       LYS   9  15.472 -13.557  10.229
   77   3HZ   LYS   9          1HZ       LYS   9  13.798 -13.806  10.137
   78    H    SER  10           H        SER  10  17.791  -8.180   6.106
   79    HA   SER  10           HA       SER  10  20.061  -8.887   7.605
   80   1HB   SER  10          2HB       SER  10  20.015  -7.988   5.143
   81   2HB   SER  10          1HB       SER  10  20.078  -6.365   5.861
   82    HG   SER  10           HG       SER  10  22.157  -6.757   6.276
   83    H    ARG  11           H        ARG  11  18.409  -5.780   7.775
   84    HA   ARG  11           HA       ARG  11  19.794  -5.350  10.390
   85   1HB   ARG  11          2HB       ARG  11  19.152  -3.144   8.370
   86   2HB   ARG  11          1HB       ARG  11  20.088  -3.045   9.824
   87   1HG   ARG  11          2HG       ARG  11  21.891  -4.437   8.891
   88   2HG   ARG  11          1HG       ARG  11  20.937  -4.775   7.468
   89   1HD   ARG  11          2HD       ARG  11  22.642  -2.969   7.060
   90   2HD   ARG  11          1HD       ARG  11  20.995  -2.436   6.754
   91    HE   ARG  11           HE       ARG  11  21.369  -1.755   9.407
   92   1HH1  ARG  11          1HH2      ARG  11  24.016  -1.359   9.498
   93   2HH1  ARG  11          2HH2      ARG  11  24.366   0.160   8.746
   94   1HH2  ARG  11          2HH1      ARG  11  21.236   0.095   7.114
   95   2HH2  ARG  11          1HH1      ARG  11  22.666   1.054   7.285
   96    H    CYS  12           H        CYS  12  17.487  -6.656   9.721
   97    HA   CYS  12           HA       CYS  12  15.428  -4.993  11.001
   98   1HB   CYS  12          2HB       CYS  12  15.403  -6.089   8.350
   99   2HB   CYS  12          1HB       CYS  12  14.111  -6.600   9.361
  100    H    THR  13           H        THR  13  14.960  -6.090  12.745
  101    HA   THR  13           HA       THR  13  14.363  -8.984  12.660
  102    HB   THR  13           HB       THR  13  15.903  -9.175  14.738
  103    HG1  THR  13           HG1      THR  13  17.145  -6.862  14.411
  104   1HG2  THR  13          1HG2      THR  13  16.819  -9.293  12.237
  105   2HG2  THR  13          3HG2      THR  13  17.246  -7.623  12.389
  106   3HG2  THR  13          2HG2      THR  13  18.047  -8.792  13.397
  107    H    ALA  14           H        ALA  14  12.780  -9.393  14.323
  108    HA   ALA  14           HA       ALA  14  10.629  -7.779  14.522
  109   1HB   ALA  14          1HB       ALA  14  10.774  -9.988  15.675
  110   2HB   ALA  14          3HB       ALA  14  11.808  -9.290  16.917
  111   3HB   ALA  14          2HB       ALA  14  10.135  -8.780  16.774
  112    H    PHE  15           H        PHE  15  13.502  -7.328  16.317
  113    HA   PHE  15           HA       PHE  15  12.482  -5.148  17.969
  114   1HB   PHE  15          2HB       PHE  15  14.555  -6.355  18.673
  115   2HB   PHE  15          1HB       PHE  15  15.367  -5.925  17.175
  116    HD1  PHE  15           HD2      PHE  15  15.933  -3.515  16.718
  117    HD2  PHE  15           HD1      PHE  15  14.470  -4.779  20.523
  118    HE1  PHE  15           HE2      PHE  15  16.714  -1.431  17.697
  119    HE2  PHE  15           HE1      PHE  15  15.265  -2.678  21.506
  120    HZ   PHE  15           HZ       PHE  15  16.385  -0.996  20.105
  121    H    GLN  16           H        GLN  16  14.625  -5.171  15.109
  122    HA   GLN  16           HA       GLN  16  14.281  -2.297  14.785
  123   1HB   GLN  16          2HB       GLN  16  16.308  -3.735  14.265
  124   2HB   GLN  16          1HB       GLN  16  15.426  -4.296  12.855
  125   1HG   GLN  16          2HG       GLN  16  16.018  -2.574  11.726
  126   2HG   GLN  16          1HG       GLN  16  15.257  -1.511  12.886
  127   1HE2  GLN  16          2HE2      GLN  16  18.561  -0.202  13.264
  128   2HE2  GLN  16          1HE2      GLN  16  17.051   0.085  12.543
  129    H    CYS  17           H        CYS  17  12.539  -5.022  13.806
  130    HA   CYS  17           HA       CYS  17  11.275  -3.756  11.493
  131   1HB   CYS  17          2HB       CYS  17  10.874  -6.487  12.804
  132   2HB   CYS  17          1HB       CYS  17  10.059  -5.946  11.365
  133    H    LYS  18           H        LYS  18  10.735  -4.173  14.836
  134    HA   LYS  18           HA       LYS  18   7.916  -3.188  14.454
  135   1HB   LYS  18          2HB       LYS  18   8.584  -5.504  15.728
  136   2HB   LYS  18          1HB       LYS  18   8.745  -4.432  17.092
  137   1HG   LYS  18          2HG       LYS  18   6.436  -3.705  16.895
  138   2HG   LYS  18          1HG       LYS  18   6.286  -4.404  15.291
  139   1HD   LYS  18          2HD       LYS  18   6.831  -6.690  16.424
  140   2HD   LYS  18          1HD       LYS  18   6.499  -5.871  17.944
  141   1HE   LYS  18          2HE       LYS  18   4.223  -5.370  17.279
  142   2HE   LYS  18          1HE       LYS  18   4.538  -5.834  15.613
  143   1HZ   LYS  18          1HZ       LYS  18   5.216  -7.991  17.274
  144   2HZ   LYS  18          3HZ       LYS  18   3.670  -7.451  17.707
  145   3HZ   LYS  18          2HZ       LYS  18   3.995  -7.888  16.098
  146    H    HIS  19           H        HIS  19  10.832  -2.864  16.558
  147    HA   HIS  19           HA       HIS  19   9.753  -0.519  17.814
  148   1HB   HIS  19          2HB       HIS  19  12.595  -1.639  17.916
  149   2HB   HIS  19          1HB       HIS  19  11.800  -0.520  19.002
  150    HD1  HIS  19           HD1      HIS  19   9.405  -2.705  18.341
  151    HD2  HIS  19           HD2      HIS  19  12.793  -2.937  20.589
  152    HE1  HIS  19           HE1      HIS  19   9.079  -4.502  19.849
  153    H    SER  20           H        SER  20  12.317  -1.071  15.198
  154    HA   SER  20           HA       SER  20  12.684   1.847  15.185
  155   1HB   SER  20          2HB       SER  20  13.772  -0.385  13.463
  156   2HB   SER  20          1HB       SER  20  14.451   1.241  13.596
  157    HG   SER  20           HG       SER  20  14.066   0.191  16.049
  158    H    MET  21           H        MET  21  10.475   2.368  14.656
  159    HA   MET  21           HA       MET  21   8.935   1.434  12.554
  160   1HB   MET  21          2HB       MET  21   9.368   4.318  13.471
  161   2HB   MET  21          1HB       MET  21   8.092   3.847  12.368
  162   1HG   MET  21          2HG       MET  21   6.913   2.730  13.949
  163   2HG   MET  21          1HG       MET  21   8.292   2.217  14.870
  164   1HE   MET  21          1HE       MET  21   9.357   3.203  16.561
  165   2HE   MET  21          3HE       MET  21   9.786   4.828  15.989
  166   3HE   MET  21          2HE       MET  21   8.881   4.598  17.482
  167    H    LYS  22           H        LYS  22  11.369   4.059  12.107
  168    HA   LYS  22           HA       LYS  22  10.965   4.140   9.312
  169   1HB   LYS  22          2HB       LYS  22  13.269   4.878  11.171
  170   2HB   LYS  22          1HB       LYS  22  13.744   4.626   9.515
  171   1HG   LYS  22          2HG       LYS  22  11.557   6.582  10.344
  172   2HG   LYS  22          1HG       LYS  22  13.224   7.032  10.029
  173   1HD   LYS  22          2HD       LYS  22  13.056   6.054   7.730
  174   2HD   LYS  22          1HD       LYS  22  11.378   5.665   8.016
  175   1HE   LYS  22          2HE       LYS  22  10.941   8.126   8.409
  176   2HE   LYS  22          1HE       LYS  22  12.593   8.438   7.873
  177   1HZ   LYS  22          2HZ       LYS  22  11.371   6.659   6.071
  178   2HZ   LYS  22          1HZ       LYS  22  10.326   7.962   6.314
  179   3HZ   LYS  22          3HZ       LYS  22  11.913   8.251   5.781
  180    H    TYR  23           H        TYR  23  12.414   1.629  11.030
  181    HA   TYR  23           HA       TYR  23  13.868   0.625   8.694
  182   1HB   TYR  23          2HB       TYR  23  13.577  -0.179  11.592
  183   2HB   TYR  23          1HB       TYR  23  13.744  -1.524  10.627
  184    HD1  TYR  23           HD1      TYR  23  15.123   1.873  11.353
  185    HD2  TYR  23           HD2      TYR  23  15.976  -1.905   9.586
  186    HE1  TYR  23           HE1      TYR  23  17.490   2.500  11.128
  187    HE2  TYR  23           HE2      TYR  23  18.317  -1.277   9.372
  188    HH   TYR  23           HH       TYR  23  19.900   0.212  10.163
  189    H    ARG  24           H        ARG  24  10.888  -0.267  10.447
  190    HA   ARG  24           HA       ARG  24  10.265  -2.240   8.363
  191   1HB   ARG  24          2HB       ARG  24   8.334  -2.639   9.951
  192   2HB   ARG  24          1HB       ARG  24   9.785  -2.438  10.795
  193   1HG   ARG  24          2HG       ARG  24   8.396  -1.212  12.051
  194   2HG   ARG  24          1HG       ARG  24   9.214   0.004  11.119
  195   1HD   ARG  24          2HD       ARG  24   7.187   0.742  10.372
  196   2HD   ARG  24          1HD       ARG  24   6.907  -0.799   9.589
  197    HE   ARG  24           HE       ARG  24   5.939  -1.644  11.624
  198   1HH1  ARG  24          1HH2      ARG  24   6.892  -0.299  13.790
  199   2HH1  ARG  24          2HH2      ARG  24   5.818   1.018  14.139
  200   1HH2  ARG  24          2HH1      ARG  24   4.403   0.792  10.918
  201   2HH2  ARG  24          1HH1      ARG  24   4.319   1.688  12.402
  202    H    LEU  25           H        LEU  25   9.367   1.116   9.001
  203    HA   LEU  25           HA       LEU  25   7.300   1.236   6.970
  204   1HB   LEU  25          2HB       LEU  25   8.355   2.928   9.191
  205   2HB   LEU  25          1HB       LEU  25   7.757   3.790   7.845
  206    HG   LEU  25           HG       LEU  25   6.013   1.554   8.933
  207   1HD1  LEU  25          1HD1      LEU  25   6.346   4.320  10.240
  208   2HD1  LEU  25          3HD1      LEU  25   5.140   3.130  10.704
  209   3HD1  LEU  25          2HD1      LEU  25   6.837   2.798  10.958
  210   1HD2  LEU  25          1HD2      LEU  25   5.314   2.907   6.944
  211   2HD2  LEU  25          3HD2      LEU  25   4.216   3.134   8.290
  212   3HD2  LEU  25          2HD2      LEU  25   5.401   4.371   7.907
  213    H    SER  26           H        SER  26  10.615   1.361   6.784
  214    HA   SER  26           HA       SER  26  10.339   2.845   4.214
  215   1HB   SER  26          2HB       SER  26  12.441   3.710   6.299
  216   2HB   SER  26          1HB       SER  26  12.240   4.330   4.676
  217    HG   SER  26           HG       SER  26   9.827   4.357   5.735
  218    H    PHE  27           H        PHE  27  12.922   1.248   6.220
  219    HA   PHE  27           HA       PHE  27  14.291   0.517   3.761
  220   1HB   PHE  27          2HB       PHE  27  14.619  -0.668   6.526
  221   2HB   PHE  27          1HB       PHE  27  15.664  -0.916   5.158
  222    HD1  PHE  27           HD2      PHE  27  14.850   2.438   4.627
  223    HD2  PHE  27           HD1      PHE  27  16.972   0.050   7.455
  224    HE1  PHE  27           HE2      PHE  27  16.166   4.373   5.287
  225    HE2  PHE  27           HE1      PHE  27  18.298   2.021   8.105
  226    HZ   PHE  27           HZ       PHE  27  17.890   4.180   7.023
  227    H    CYS  28           H        CYS  28  12.609  -1.561   6.116
  228    HA   CYS  28           HA       CYS  28  12.482  -3.716   4.142
  229   1HB   CYS  28          2HB       CYS  28  11.699  -3.596   7.015
  230   2HB   CYS  28          1HB       CYS  28  11.842  -4.977   6.138
  231    H    ARG  29           H        ARG  29  10.659  -1.568   3.678
  232    HA   ARG  29           HA       ARG  29   8.118  -2.139   4.692
  233   1HB   ARG  29          2HB       ARG  29   8.989  -1.142   1.944
  234   2HB   ARG  29          1HB       ARG  29   7.340  -1.153   2.521
  235   1HG   ARG  29          2HG       ARG  29   7.949   0.282   4.427
  236   2HG   ARG  29          1HG       ARG  29   9.603   0.375   3.853
  237   1HD   ARG  29          2HD       ARG  29   8.306   2.364   3.103
  238   2HD   ARG  29          1HD       ARG  29   8.732   1.401   1.691
  239    HE   ARG  29           HE       ARG  29   6.195   0.520   2.702
  240   1HH1  ARG  29          1HH2      ARG  29   6.936   1.165  -0.068
  241   2HH1  ARG  29          2HH2      ARG  29   5.911   2.500  -0.475
  242   1HH2  ARG  29          2HH1      ARG  29   5.240   3.063   2.950
  243   2HH2  ARG  29          1HH1      ARG  29   4.881   3.662   1.364
  244    H    LYS  30           H        LYS  30  10.060  -3.990   2.706
  245    HA   LYS  30           HA       LYS  30   8.277  -5.421   1.059
  246   1HB   LYS  30          2HB       LYS  30  10.027  -7.136   1.007
  247   2HB   LYS  30          1HB       LYS  30  10.691  -5.554   0.768
  248   1HG   LYS  30          2HG       LYS  30  12.205  -6.504   2.288
  249   2HG   LYS  30          1HG       LYS  30  11.188  -5.551   3.336
  250   1HD   LYS  30          2HD       LYS  30  10.478  -7.406   4.430
  251   2HD   LYS  30          1HD       LYS  30  10.074  -8.273   2.953
  252   1HE   LYS  30          2HE       LYS  30  12.759  -8.021   4.292
  253   2HE   LYS  30          1HE       LYS  30  11.791  -9.484   4.103
  254   1HZ   LYS  30          2HZ       LYS  30  12.133  -8.335   1.585
  255   2HZ   LYS  30          1HZ       LYS  30  13.669  -8.463   2.272
  256   3HZ   LYS  30          3HZ       LYS  30  12.695  -9.840   2.124
  257    H    THR  31           H        THR  31   8.993  -5.784   4.494
  258    HA   THR  31           HA       THR  31   6.588  -7.452   4.711
  259    HB   THR  31           HB       THR  31   9.175  -8.895   4.952
  260    HG1  THR  31           HG1      THR  31   7.219  -8.910   3.083
  261   1HG2  THR  31          1HG2      THR  31   6.445  -9.857   5.795
  262   2HG2  THR  31          3HG2      THR  31   7.879 -10.880   5.703
  263   3HG2  THR  31          2HG2      THR  31   7.795  -9.582   6.879
  264    H    CYS  32           H        CYS  32   9.622  -6.532   6.165
  265    HA   CYS  32           HA       CYS  32   8.835  -7.287   8.839
  266   1HB   CYS  32          2HB       CYS  32  10.807  -5.604   7.600
  267   2HB   CYS  32          1HB       CYS  32  10.478  -5.155   9.224
  268    H    GLY  33           H        GLY  33   8.089  -4.564   6.919
  269   1HA   GLY  33          2HA       GLY  33   6.599  -3.551   9.297
  270   2HA   GLY  33          1HA       GLY  33   7.467  -2.522   8.187
  271    H    THR  34           H        THR  34   6.408  -3.909   5.851
  272    HA   THR  34           HA       THR  34   3.576  -3.004   6.112
  273    HB   THR  34           HB       THR  34   4.564  -1.891   3.637
  274    HG1  THR  34           HG1      THR  34   6.322  -1.656   5.837
  275   1HG2  THR  34          2HG2      THR  34   4.483  -0.582   6.462
  276   2HG2  THR  34          1HG2      THR  34   4.409   0.289   4.943
  277   3HG2  THR  34          3HG2      THR  34   3.046  -0.686   5.471
  278    H    CYS  35           H        CYS  35   4.422  -5.765   5.618
  279    HA   CYS  35           HA       CYS  35   2.415  -6.410   3.656
  280   1HB   CYS  35          2HB       CYS  35   5.271  -6.473   2.982
  281   2HB   CYS  35          1HB       CYS  35   4.480  -7.982   2.701
   
  No H/Q in entry =         281
  Start of MODEL   19
    1   1H    ARG   1          3H        ARG   1   3.413   2.903  -2.531
    2   2H    ARG   1          2H        ARG   1   3.080   3.893  -3.869
    3   3H    ARG   1          1H        ARG   1   2.085   3.943  -2.494
    4    HA   ARG   1           HA       ARG   1   0.789   2.384  -3.274
    5   1HB   ARG   1          2HB       ARG   1   2.732   2.433  -5.622
    6   2HB   ARG   1          1HB       ARG   1   1.204   1.564  -5.642
    7   1HG   ARG   1          2HG       ARG   1  -0.018   3.693  -5.132
    8   2HG   ARG   1          1HG       ARG   1   1.494   4.574  -5.170
    9   1HD   ARG   1          2HD       ARG   1   1.799   4.099  -7.536
   10   2HD   ARG   1          1HD       ARG   1   0.438   2.976  -7.545
   11    HE   ARG   1           HE       ARG   1  -1.004   4.966  -6.943
   12   1HH1  ARG   1          1HH1      ARG   1   0.527   7.134  -6.420
   13   2HH1  ARG   1          2HH1      ARG   1   0.841   7.928  -7.930
   14   1HH2  ARG   1          1HH2      ARG   1   0.036   5.026  -9.732
   15   2HH2  ARG   1          2HH2      ARG   1   0.551   6.674  -9.899
   16    H    SER   2           H        SER   2   4.095   1.454  -2.901
   17    HA   SER   2           HA       SER   2   3.198  -1.246  -2.199
   18   1HB   SER   2          2HB       SER   2   5.067  -2.255  -3.643
   19   2HB   SER   2          1HB       SER   2   3.814  -1.473  -4.616
   20    HG   SER   2           HG       SER   2   5.346  -0.175  -5.289
   21    H    CYS   3           H        CYS   3   4.790  -2.355  -0.961
   22    HA   CYS   3           HA       CYS   3   6.806  -0.603   0.334
   23   1HB   CYS   3          2HB       CYS   3   5.090  -2.833   1.561
   24   2HB   CYS   3          1HB       CYS   3   6.131  -1.746   2.435
   25    H    ILE   4           H        ILE   4   8.807  -1.332   0.115
   26    HA   ILE   4           HA       ILE   4   9.314  -4.190  -0.472
   27    HB   ILE   4           HB       ILE   4  10.862  -3.491  -2.352
   28   1HG1  ILE   4          2HG1      ILE   4  10.027  -0.615  -1.682
   29   2HG1  ILE   4          1HG1      ILE   4  11.591  -1.294  -1.278
   30   1HG2  ILE   4          2HG2      ILE   4   8.436  -3.782  -2.929
   31   2HG2  ILE   4          1HG2      ILE   4   8.168  -2.078  -2.639
   32   3HG2  ILE   4          3HG2      ILE   4   9.192  -2.592  -3.963
   33   1HD1  ILE   4          2HD1      ILE   4  12.058  -1.686  -3.695
   34   2HD1  ILE   4          1HD1      ILE   4  10.519  -0.949  -4.118
   35   3HD1  ILE   4          3HD1      ILE   4  11.766   0.007  -3.349
   36    H    ASP   5           H        ASP   5  11.817  -4.185  -0.890
   37    HA   ASP   5           HA       ASP   5  12.959  -3.703   1.772
   38   1HB   ASP   5          2HB       ASP   5  12.734  -5.977   0.580
   39   2HB   ASP   5          1HB       ASP   5  14.144  -5.449  -0.280
   40    H    THR   6           H        THR   6  14.811  -2.687   2.086
   41    HA   THR   6           HA       THR   6  16.359  -1.599  -0.271
   42    HB   THR   6           HB       THR   6  17.325  -0.002   1.515
   43    HG1  THR   6           HG1      THR   6  17.204  -0.891   3.425
   44   1HG2  THR   6          2HG2      THR   6  14.261  -0.277   1.748
   45   2HG2  THR   6          1HG2      THR   6  15.180   1.172   2.111
   46   3HG2  THR   6          3HG2      THR   6  15.060   0.596   0.460
   47    H    ILE   7           H        ILE   7  16.354  -3.028   2.787
   48    HA   ILE   7           HA       ILE   7  18.292  -5.156   2.376
   49    HB   ILE   7           HB       ILE   7  19.486  -4.639   4.481
   50   1HG1  ILE   7          2HG1      ILE   7  19.189  -2.151   5.246
   51   2HG1  ILE   7          1HG1      ILE   7  17.634  -2.353   4.453
   52   1HG2  ILE   7          3HG2      ILE   7  20.437  -3.771   2.368
   53   2HG2  ILE   7          2HG2      ILE   7  19.500  -2.298   2.525
   54   3HG2  ILE   7          1HG2      ILE   7  20.767  -2.650   3.680
   55   1HD1  ILE   7          2HD1      ILE   7  18.461  -4.242   6.654
   56   2HD1  ILE   7          1HD1      ILE   7  17.580  -2.770   6.977
   57   3HD1  ILE   7          3HD1      ILE   7  16.887  -4.052   6.052
   58    HA   PRO   8           HA       PRO   8  14.664  -6.119   5.049
   59   1HB   PRO   8          2HB       PRO   8  14.379  -8.742   4.561
   60   2HB   PRO   8          1HB       PRO   8  14.621  -7.790   3.140
   61   1HG   PRO   8          2HG       PRO   8  16.754  -9.422   4.460
   62   2HG   PRO   8          1HG       PRO   8  16.426  -9.144   2.758
   63   1HD   PRO   8          2HD       PRO   8  18.160  -7.618   4.485
   64   2HD   PRO   8          1HD       PRO   8  17.868  -7.332   2.747
   65    H    LYS   9           H        LYS   9  15.048  -8.724   6.105
   66    HA   LYS   9           HA       LYS   9  15.549  -8.477   8.699
   67   1HB   LYS   9          2HB       LYS   9  14.892 -10.434   7.213
   68   2HB   LYS   9          1HB       LYS   9  16.579 -10.639   6.885
   69   1HG   LYS   9          2HG       LYS   9  16.828 -12.019   8.663
   70   2HG   LYS   9          1HG       LYS   9  16.564 -10.651   9.713
   71   1HD   LYS   9          2HD       LYS   9  15.025 -12.411  10.346
   72   2HD   LYS   9          1HD       LYS   9  14.090 -11.113   9.632
   73   1HE   LYS   9          2HE       LYS   9  14.042 -12.376   7.441
   74   2HE   LYS   9          1HE       LYS   9  14.960 -13.667   8.200
   75   1HZ   LYS   9          3HZ       LYS   9  12.775 -13.052   9.836
   76   2HZ   LYS   9          2HZ       LYS   9  12.207 -13.227   8.247
   77   3HZ   LYS   9          1HZ       LYS   9  13.084 -14.487   8.979
   78    H    SER  10           H        SER  10  17.819  -8.834   6.138
   79    HA   SER  10           HA       SER  10  20.207  -9.326   7.506
   80   1HB   SER  10          2HB       SER  10  19.837  -9.156   4.870
   81   2HB   SER  10          1HB       SER  10  20.135  -7.418   5.081
   82    HG   SER  10           HG       SER  10  22.181  -7.846   5.360
   83    H    ARG  11           H        ARG  11  18.855  -6.146   7.075
   84    HA   ARG  11           HA       ARG  11  20.825  -5.346   9.183
   85   1HB   ARG  11          2HB       ARG  11  20.264  -3.713   6.595
   86   2HB   ARG  11          1HB       ARG  11  21.143  -3.201   7.988
   87   1HG   ARG  11          2HG       ARG  11  22.771  -5.058   7.636
   88   2HG   ARG  11          1HG       ARG  11  21.812  -5.661   6.308
   89   1HD   ARG  11          2HD       ARG  11  23.580  -4.380   5.288
   90   2HD   ARG  11          1HD       ARG  11  22.148  -3.379   5.170
   91    HE   ARG  11           HE       ARG  11  23.075  -2.336   7.412
   92   1HH1  ARG  11          1HH2      ARG  11  25.582  -3.335   7.735
   93   2HH1  ARG  11          2HH2      ARG  11  26.665  -2.439   6.722
   94   1HH2  ARG  11          2HH1      ARG  11  23.957  -1.251   4.812
   95   2HH2  ARG  11          1HH1      ARG  11  25.683  -1.172   4.953
   96    H    CYS  12           H        CYS  12  18.043  -6.245   9.104
   97    HA   CYS  12           HA       CYS  12  16.728  -3.963  10.403
   98   1HB   CYS  12          2HB       CYS  12  15.647  -6.226   8.681
   99   2HB   CYS  12          1HB       CYS  12  14.784  -5.326   9.867
  100    H    THR  13           H        THR  13  15.020  -5.394  11.820
  101    HA   THR  13           HA       THR  13  16.025  -8.022  12.612
  102    HB   THR  13           HB       THR  13  17.016  -7.469  14.768
  103    HG1  THR  13           HG1      THR  13  16.370  -5.813  15.929
  104   1HG2  THR  13          2HG2      THR  13  17.336  -4.848  13.227
  105   2HG2  THR  13          1HG2      THR  13  18.326  -5.309  14.598
  106   3HG2  THR  13          3HG2      THR  13  18.423  -6.203  13.099
  107    H    ALA  14           H        ALA  14  14.367  -9.079  13.897
  108    HA   ALA  14           HA       ALA  14  11.723  -8.254  13.445
  109   1HB   ALA  14          1HB       ALA  14  12.764  -9.912  15.818
  110   2HB   ALA  14          3HB       ALA  14  11.099  -9.861  15.269
  111   3HB   ALA  14          2HB       ALA  14  12.335 -10.553  14.236
  112    H    PHE  15           H        PHE  15  13.917  -7.185  15.806
  113    HA   PHE  15           HA       PHE  15  11.957  -5.934  17.576
  114   1HB   PHE  15          2HB       PHE  15  14.299  -6.538  18.344
  115   2HB   PHE  15          1HB       PHE  15  14.972  -5.419  17.187
  116    HD1  PHE  15           HD2      PHE  15  14.703  -2.946  17.506
  117    HD2  PHE  15           HD1      PHE  15  13.378  -5.752  20.436
  118    HE1  PHE  15           HE2      PHE  15  14.610  -1.160  19.186
  119    HE2  PHE  15           HE1      PHE  15  13.291  -3.963  22.104
  120    HZ   PHE  15           HZ       PHE  15  13.909  -1.665  21.487
  121    H    GLN  16           H        GLN  16  14.369  -4.689  15.280
  122    HA   GLN  16           HA       GLN  16  13.418  -2.061  15.055
  123   1HB   GLN  16          2HB       GLN  16  14.590  -3.817  12.864
  124   2HB   GLN  16          1HB       GLN  16  14.400  -2.087  12.751
  125   1HG   GLN  16          2HG       GLN  16  16.081  -3.333  14.968
  126   2HG   GLN  16          1HG       GLN  16  16.743  -2.911  13.396
  127   1HE2  GLN  16          2HE2      GLN  16  17.439   0.240  14.772
  128   2HE2  GLN  16          1HE2      GLN  16  18.110  -1.194  14.182
  129    H    CYS  17           H        CYS  17  12.357  -4.891  13.333
  130    HA   CYS  17           HA       CYS  17  10.654  -3.828  11.413
  131   1HB   CYS  17          2HB       CYS  17  10.285  -6.391  13.053
  132   2HB   CYS  17          1HB       CYS  17   9.584  -6.060  11.483
  133    H    LYS  18           H        LYS  18   9.980  -4.271  14.890
  134    HA   LYS  18           HA       LYS  18   7.375  -2.887  14.392
  135   1HB   LYS  18          2HB       LYS  18   8.197  -5.143  16.181
  136   2HB   LYS  18          1HB       LYS  18   7.021  -4.016  16.792
  137   1HG   LYS  18          2HG       LYS  18   5.678  -4.403  14.634
  138   2HG   LYS  18          1HG       LYS  18   6.859  -5.628  14.190
  139   1HD   LYS  18          2HD       LYS  18   6.328  -6.917  16.221
  140   2HD   LYS  18          1HD       LYS  18   5.263  -5.640  16.791
  141   1HE   LYS  18          2HE       LYS  18   3.814  -5.987  14.756
  142   2HE   LYS  18          1HE       LYS  18   4.828  -7.353  14.314
  143   1HZ   LYS  18          1HZ       LYS  18   4.103  -7.639  17.009
  144   2HZ   LYS  18          3HZ       LYS  18   2.700  -7.298  16.119
  145   3HZ   LYS  18          2HZ       LYS  18   3.685  -8.608  15.678
  146    H    HIS  19           H        HIS  19  10.406  -2.571  15.943
  147    HA   HIS  19           HA       HIS  19   9.416  -0.753  17.957
  148   1HB   HIS  19          2HB       HIS  19  12.163  -1.889  17.297
  149   2HB   HIS  19          1HB       HIS  19  11.839  -0.734  18.567
  150    HD1  HIS  19           HD1      HIS  19  10.277  -3.769  17.538
  151    HD2  HIS  19           HD2      HIS  19  11.189  -1.725  20.943
  152    HE1  HIS  19           HE1      HIS  19   9.497  -5.089  19.334
  153    H    SER  20           H        SER  20  11.636  -0.520  15.066
  154    HA   SER  20           HA       SER  20  11.415   2.414  15.349
  155   1HB   SER  20          2HB       SER  20  13.332   0.595  13.860
  156   2HB   SER  20          1HB       SER  20  13.379   2.366  13.892
  157    HG   SER  20           HG       SER  20  14.264   0.690  15.746
  158    H    MET  21           H        MET  21   9.607   3.050  14.271
  159    HA   MET  21           HA       MET  21   8.377   1.745  12.111
  160   1HB   MET  21          2HB       MET  21   8.596   4.773  12.704
  161   2HB   MET  21          1HB       MET  21   7.455   4.119  11.563
  162   1HG   MET  21          2HG       MET  21   6.375   4.519  13.709
  163   2HG   MET  21          1HG       MET  21   6.373   2.820  13.328
  164   1HE   MET  21          1HE       MET  21   7.546   5.629  15.602
  165   2HE   MET  21          3HE       MET  21   8.750   4.879  16.627
  166   3HE   MET  21          2HE       MET  21   9.139   5.185  14.945
  167    H    LYS  22           H        LYS  22  10.855   4.287  11.851
  168    HA   LYS  22           HA       LYS  22  10.860   4.248   9.019
  169   1HB   LYS  22          2HB       LYS  22  13.281   4.682  10.876
  170   2HB   LYS  22          1HB       LYS  22  13.212   5.138   9.183
  171   1HG   LYS  22          2HG       LYS  22  11.354   6.689   9.629
  172   2HG   LYS  22          1HG       LYS  22  11.330   6.247  11.321
  173   1HD   LYS  22          2HD       LYS  22  13.761   7.045  11.480
  174   2HD   LYS  22          1HD       LYS  22  13.631   7.585   9.816
  175   1HE   LYS  22          2HE       LYS  22  13.183   9.455  11.365
  176   2HE   LYS  22          1HE       LYS  22  11.733   9.076  10.450
  177   1HZ   LYS  22          1HZ       LYS  22  11.795   7.468  12.756
  178   2HZ   LYS  22          3HZ       LYS  22  12.069   9.081  13.213
  179   3HZ   LYS  22          2HZ       LYS  22  10.678   8.682  12.329
  180    H    TYR  23           H        TYR  23  11.870   1.709  11.042
  181    HA   TYR  23           HA       TYR  23  13.732   0.650   9.035
  182   1HB   TYR  23          2HB       TYR  23  12.731  -0.172  11.769
  183   2HB   TYR  23          1HB       TYR  23  13.306  -1.434  10.760
  184    HD1  TYR  23           HD2      TYR  23  14.268   1.942  12.091
  185    HD2  TYR  23           HD1      TYR  23  15.653  -1.775  10.553
  186    HE1  TYR  23           HE2      TYR  23  16.569   2.548  12.692
  187    HE2  TYR  23           HE1      TYR  23  17.944  -1.160  11.138
  188    HH   TYR  23           HH       TYR  23  19.232   0.926  11.513
  189    H    ARG  24           H        ARG  24  10.607  -0.156  10.451
  190    HA   ARG  24           HA       ARG  24   9.976  -2.212   8.553
  191   1HB   ARG  24          2HB       ARG  24   8.134  -2.461  10.097
  192   2HB   ARG  24          1HB       ARG  24   8.972  -1.336  11.037
  193   1HG   ARG  24          2HG       ARG  24   7.061  -0.248  11.162
  194   2HG   ARG  24          1HG       ARG  24   7.576   0.519   9.696
  195   1HD   ARG  24          2HD       ARG  24   5.700  -0.534   8.527
  196   2HD   ARG  24          1HD       ARG  24   6.130  -2.046   9.242
  197    HE   ARG  24           HE       ARG  24   4.988  -1.533  11.234
  198   1HH1  ARG  24          2HH1      ARG  24   4.436   0.939  11.883
  199   2HH1  ARG  24          1HH1      ARG  24   2.996   1.493  11.091
  200   1HH2  ARG  24          1HH2      ARG  24   3.234  -1.154   8.734
  201   2HH2  ARG  24          2HH2      ARG  24   2.291   0.214   9.119
  202    H    LEU  25           H        LEU  25   9.262   1.266   8.656
  203    HA   LEU  25           HA       LEU  25   7.707   1.201   6.226
  204   1HB   LEU  25          2HB       LEU  25   8.453   3.167   8.371
  205   2HB   LEU  25          1HB       LEU  25   7.853   3.731   6.868
  206    HG   LEU  25           HG       LEU  25   6.363   1.463   8.274
  207   1HD1  LEU  25          2HD1      LEU  25   6.058   4.416   9.000
  208   2HD1  LEU  25          1HD1      LEU  25   5.024   3.113   9.576
  209   3HD1  LEU  25          3HD1      LEU  25   6.715   3.143  10.022
  210   1HD2  LEU  25          2HD2      LEU  25   5.399   3.822   6.611
  211   2HD2  LEU  25          1HD2      LEU  25   5.620   2.191   6.009
  212   3HD2  LEU  25          3HD2      LEU  25   4.392   2.520   7.215
  213    H    SER  26           H        SER  26  10.993   1.307   6.688
  214    HA   SER  26           HA       SER  26  11.231   2.773   4.060
  215   1HB   SER  26          2HB       SER  26  13.487   2.872   6.103
  216   2HB   SER  26          1HB       SER  26  13.223   3.870   4.683
  217    HG   SER  26           HG       SER  26  12.157   4.034   7.154
  218    H    PHE  27           H        PHE  27  13.178   0.705   6.211
  219    HA   PHE  27           HA       PHE  27  14.530  -0.353   3.873
  220   1HB   PHE  27          2HB       PHE  27  14.796  -1.428   6.701
  221   2HB   PHE  27          1HB       PHE  27  15.861  -1.688   5.360
  222    HD1  PHE  27           HD2      PHE  27  16.157   1.066   4.224
  223    HD2  PHE  27           HD1      PHE  27  16.045  -0.232   8.276
  224    HE1  PHE  27           HE2      PHE  27  17.447   3.031   4.896
  225    HE2  PHE  27           HE1      PHE  27  17.324   1.738   8.951
  226    HZ   PHE  27           HZ       PHE  27  18.040   3.379   7.263
  227    H    CYS  28           H        CYS  28  12.667  -1.814   6.394
  228    HA   CYS  28           HA       CYS  28  12.486  -4.298   4.894
  229   1HB   CYS  28          2HB       CYS  28  10.992  -3.942   7.460
  230   2HB   CYS  28          1HB       CYS  28  12.130  -5.133   7.106
  231    H    ARG  29           H        ARG  29  10.843  -1.894   4.131
  232    HA   ARG  29           HA       ARG  29   8.069  -2.411   4.651
  233   1HB   ARG  29          2HB       ARG  29   8.593  -1.499   1.896
  234   2HB   ARG  29          1HB       ARG  29   7.712  -0.703   3.159
  235   1HG   ARG  29          2HG       ARG  29   9.609   0.395   4.018
  236   2HG   ARG  29          1HG       ARG  29  10.705  -0.536   3.006
  237   1HD   ARG  29          2HD       ARG  29  10.371   1.675   2.023
  238   2HD   ARG  29          1HD       ARG  29   9.749   0.440   0.951
  239    HE   ARG  29           HE       ARG  29   7.991   2.053   2.767
  240   1HH1  ARG  29          1HH2      ARG  29   8.877   2.057  -0.407
  241   2HH1  ARG  29          2HH2      ARG  29   7.283   1.804  -1.064
  242   1HH2  ARG  29          2HH1      ARG  29   5.853   1.213   2.035
  243   2HH2  ARG  29          1HH1      ARG  29   5.566   1.356   0.337
  244    H    LYS  30           H        LYS  30  10.132  -4.476   3.127
  245    HA   LYS  30           HA       LYS  30   8.197  -5.490   1.177
  246   1HB   LYS  30          2HB       LYS  30   9.855  -7.385   0.946
  247   2HB   LYS  30          1HB       LYS  30  10.552  -5.814   0.682
  248   1HG   LYS  30          2HG       LYS  30  12.143  -6.877   2.084
  249   2HG   LYS  30          1HG       LYS  30  11.270  -5.889   3.210
  250   1HD   LYS  30          2HD       LYS  30  11.416  -8.003   4.245
  251   2HD   LYS  30          1HD       LYS  30   9.856  -8.148   3.462
  252   1HE   LYS  30          2HE       LYS  30  11.243  -9.084   1.421
  253   2HE   LYS  30          1HE       LYS  30  12.388  -9.474   2.695
  254   1HZ   LYS  30          2HZ       LYS  30   9.763 -10.160   3.533
  255   2HZ   LYS  30          1HZ       LYS  30  10.062 -10.817   2.019
  256   3HZ   LYS  30          3HZ       LYS  30  11.109 -11.171   3.303
  257    H    THR  31           H        THR  31   8.929  -6.183   4.528
  258    HA   THR  31           HA       THR  31   6.476  -7.758   4.733
  259    HB   THR  31           HB       THR  31   9.043  -9.218   5.129
  260    HG1  THR  31           HG1      THR  31   7.289  -9.123   3.044
  261   1HG2  THR  31          3HG2      THR  31   6.204 -10.244   5.474
  262   2HG2  THR  31          2HG2      THR  31   7.654 -11.230   5.592
  263   3HG2  THR  31          1HG2      THR  31   7.339  -9.982   6.787
  264    H    CYS  32           H        CYS  32   9.579  -7.324   6.255
  265    HA   CYS  32           HA       CYS  32   8.664  -7.727   8.940
  266   1HB   CYS  32          2HB       CYS  32  10.958  -6.646   7.631
  267   2HB   CYS  32          1HB       CYS  32  10.610  -5.653   8.976
  268    H    GLY  33           H        GLY  33   8.647  -5.129   6.785
  269   1HA   GLY  33          2HA       GLY  33   7.296  -3.519   8.832
  270   2HA   GLY  33          1HA       GLY  33   8.210  -2.860   7.477
  271    H    THR  34           H        THR  34   7.308  -3.711   5.452
  272    HA   THR  34           HA       THR  34   5.654  -3.259   3.812
  273    HB   THR  34           HB       THR  34   5.851  -5.505   4.376
  274    HG1  THR  34           HG1      THR  34   3.331  -4.476   3.646
  275   1HG2  THR  34          3HG2      THR  34   3.423  -4.940   6.241
  276   2HG2  THR  34          2HG2      THR  34   3.930  -6.584   5.877
  277   3HG2  THR  34          1HG2      THR  34   4.965  -5.527   6.786
  278    H    CYS  35           H        CYS  35   5.343  -1.520   5.944
  279    HA   CYS  35           HA       CYS  35   3.972   0.149   6.698
  280   1HB   CYS  35          2HB       CYS  35   2.349  -0.276   4.217
  281   2HB   CYS  35          1HB       CYS  35   2.900   1.160   5.044
   
  No H/Q in entry =         281
  Start of MODEL   20
    1   1H    ARG   1          2H        ARG   1  -0.795  -1.382  -5.773
    2   2H    ARG   1          1H        ARG   1   0.368  -0.742  -6.839
    3   3H    ARG   1          3H        ARG   1   0.280  -2.421  -6.568
    4    HA   ARG   1           HA       ARG   1   1.833  -0.574  -5.207
    5   1HB   ARG   1          2HB       ARG   1  -0.342  -1.910  -3.502
    6   2HB   ARG   1          1HB       ARG   1   1.041  -1.059  -2.853
    7   1HG   ARG   1          2HG       ARG   1   0.265   1.051  -4.027
    8   2HG   ARG   1          1HG       ARG   1  -1.124   0.170  -4.628
    9   1HD   ARG   1          2HD       ARG   1  -0.536   0.495  -1.655
   10   2HD   ARG   1          1HD       ARG   1  -1.648   1.510  -2.560
   11    HE   ARG   1           HE       ARG   1  -2.934  -0.617  -3.072
   12   1HH1  ARG   1          1HH1      ARG   1  -1.762  -2.850  -2.302
   13   2HH1  ARG   1          2HH1      ARG   1  -2.003  -3.078  -0.600
   14   1HH2  ARG   1          1HH2      ARG   1  -2.869   0.289  -0.152
   15   2HH2  ARG   1          2HH2      ARG   1  -2.680  -1.228   0.665
   16    H    SER   2           H        SER   2   3.363  -1.824  -3.850
   17    HA   SER   2           HA       SER   2   3.331  -4.731  -3.859
   18   1HB   SER   2          2HB       SER   2   5.407  -3.178  -5.534
   19   2HB   SER   2          1HB       SER   2   5.504  -4.907  -5.210
   20    HG   SER   2           HG       SER   2   3.037  -4.309  -6.122
   21    H    CYS   3           H        CYS   3   5.297  -5.499  -2.629
   22    HA   CYS   3           HA       CYS   3   6.168  -3.392  -0.704
   23   1HB   CYS   3          2HB       CYS   3   6.035  -6.395  -0.433
   24   2HB   CYS   3          1HB       CYS   3   6.657  -5.343   0.791
   25    H    ILE   4           H        ILE   4   8.309  -2.926  -0.431
   26    HA   ILE   4           HA       ILE   4  10.404  -4.752  -1.263
   27    HB   ILE   4           HB       ILE   4  11.506  -2.896  -2.738
   28   1HG1  ILE   4          2HG1      ILE   4   8.786  -1.529  -2.470
   29   2HG1  ILE   4          1HG1      ILE   4  10.260  -0.977  -1.709
   30   1HG2  ILE   4          2HG2      ILE   4  10.228  -4.714  -3.878
   31   2HG2  ILE   4          1HG2      ILE   4   8.764  -3.757  -3.776
   32   3HG2  ILE   4          3HG2      ILE   4  10.098  -3.220  -4.776
   33   1HD1  ILE   4          1HD1      ILE   4  11.295  -0.608  -3.953
   34   2HD1  ILE   4          3HD1      ILE   4   9.809  -1.131  -4.741
   35   3HD1  ILE   4          2HD1      ILE   4   9.814   0.317  -3.759
   36    H    ASP   5           H        ASP   5  12.449  -3.998  -0.856
   37    HA   ASP   5           HA       ASP   5  12.682  -2.153   1.439
   38   1HB   ASP   5          2HB       ASP   5  14.037  -3.688   2.536
   39   2HB   ASP   5          1HB       ASP   5  12.486  -4.347   2.123
   40    H    THR   6           H        THR   6  14.756  -1.329   1.818
   41    HA   THR   6           HA       THR   6  16.533  -1.244  -0.600
   42    HB   THR   6           HB       THR   6  16.966   0.268   2.063
   43    HG1  THR   6           HG1      THR   6  15.635   1.540   0.010
   44   1HG2  THR   6          1HG2      THR   6  17.504   1.049  -0.884
   45   2HG2  THR   6          3HG2      THR   6  17.963   1.960   0.554
   46   3HG2  THR   6          2HG2      THR   6  18.739   0.429   0.193
   47    H    ILE   7           H        ILE   7  16.187  -2.435   2.560
   48    HA   ILE   7           HA       ILE   7  18.337  -4.390   2.420
   49    HB   ILE   7           HB       ILE   7  19.149  -3.860   4.675
   50   1HG1  ILE   7          2HG1      ILE   7  18.483  -1.396   5.402
   51   2HG1  ILE   7          1HG1      ILE   7  17.042  -1.805   4.470
   52   1HG2  ILE   7          3HG2      ILE   7  20.359  -2.834   2.774
   53   2HG2  ILE   7          2HG2      ILE   7  19.313  -1.431   2.839
   54   3HG2  ILE   7          1HG2      ILE   7  20.399  -1.774   4.171
   55   1HD1  ILE   7          2HD1      ILE   7  18.096  -3.508   6.749
   56   2HD1  ILE   7          1HD1      ILE   7  16.797  -2.348   6.941
   57   3HD1  ILE   7          3HD1      ILE   7  16.576  -3.766   5.967
   58    HA   PRO   8           HA       PRO   8  14.593  -5.765   4.723
   59   1HB   PRO   8          2HB       PRO   8  14.455  -8.280   3.895
   60   2HB   PRO   8          1HB       PRO   8  14.842  -7.102   2.682
   61   1HG   PRO   8          2HG       PRO   8  16.899  -8.842   4.004
   62   2HG   PRO   8          1HG       PRO   8  16.697  -8.432   2.301
   63   1HD   PRO   8          2HD       PRO   8  18.210  -6.958   4.311
   64   2HD   PRO   8          1HD       PRO   8  18.049  -6.538   2.581
   65    H    LYS   9           H        LYS   9  14.982  -8.455   5.475
   66    HA   LYS   9           HA       LYS   9  15.096  -8.819   8.068
   67   1HB   LYS   9          2HB       LYS   9  14.997 -10.456   6.064
   68   2HB   LYS   9          1HB       LYS   9  16.728 -10.474   6.172
   69   1HG   LYS   9          2HG       LYS   9  16.443 -12.280   7.587
   70   2HG   LYS   9          1HG       LYS   9  16.213 -11.048   8.800
   71   1HD   LYS   9          2HD       LYS   9  14.416 -12.642   9.031
   72   2HD   LYS   9          1HD       LYS   9  13.710 -11.174   8.388
   73   1HE   LYS   9          2HE       LYS   9  13.763 -12.152   6.083
   74   2HE   LYS   9          1HE       LYS   9  14.530 -13.609   6.704
   75   1HZ   LYS   9          3HZ       LYS   9  12.200 -13.096   8.193
   76   2HZ   LYS   9          2HZ       LYS   9  11.813 -12.995   6.551
   77   3HZ   LYS   9          1HZ       LYS   9  12.522 -14.405   7.161
   78    H    SER  10           H        SER  10  17.738  -8.326   6.003
   79    HA   SER  10           HA       SER  10  19.999  -8.958   7.492
   80   1HB   SER  10          2HB       SER  10  20.110  -7.961   5.153
   81   2HB   SER  10          1HB       SER  10  19.634  -6.391   5.835
   82    HG   SER  10           HG       SER  10  22.087  -7.586   5.859
   83    H    ARG  11           H        ARG  11  18.318  -5.919   7.726
   84    HA   ARG  11           HA       ARG  11  19.540  -5.608  10.454
   85   1HB   ARG  11          2HB       ARG  11  18.978  -3.363   8.444
   86   2HB   ARG  11          1HB       ARG  11  19.769  -3.239   9.983
   87   1HG   ARG  11          2HG       ARG  11  21.721  -4.497   9.190
   88   2HG   ARG  11          1HG       ARG  11  20.896  -5.027   7.759
   89   1HD   ARG  11          2HD       ARG  11  22.461  -3.164   7.253
   90   2HD   ARG  11          1HD       ARG  11  20.800  -2.793   6.831
   91    HE   ARG  11           HE       ARG  11  20.699  -1.221   8.639
   92   1HH1  ARG  11          2HH1      ARG  11  22.400  -3.072  10.317
   93   2HH1  ARG  11          1HH1      ARG  11  23.787  -2.091  10.678
   94   1HH2  ARG  11          1HH2      ARG  11  22.813   0.166   8.127
   95   2HH2  ARG  11          2HH2      ARG  11  24.034  -0.089   9.332
   96    H    CYS  12           H        CYS  12  17.218  -6.906   9.557
   97    HA   CYS  12           HA       CYS  12  15.155  -5.324  10.954
   98   1HB   CYS  12          2HB       CYS  12  15.125  -6.220   8.223
   99   2HB   CYS  12          1HB       CYS  12  13.826  -6.779   9.213
  100    H    THR  13           H        THR  13  14.739  -6.408  12.613
  101    HA   THR  13           HA       THR  13  13.853  -9.216  12.488
  102    HB   THR  13           HB       THR  13  15.384  -9.647  14.519
  103    HG1  THR  13           HG1      THR  13  16.850  -7.457  14.299
  104   1HG2  THR  13          3HG2      THR  13  16.268  -9.732  12.017
  105   2HG2  THR  13          2HG2      THR  13  16.849  -8.114  12.234
  106   3HG2  THR  13          1HG2      THR  13  17.555  -9.402  13.172
  107    H    ALA  14           H        ALA  14  12.336  -9.489  14.438
  108    HA   ALA  14           HA       ALA  14  10.556  -7.362  14.614
  109   1HB   ALA  14          2HB       ALA  14  11.259  -9.311  16.891
  110   2HB   ALA  14          1HB       ALA  14   9.782  -8.366  16.792
  111   3HB   ALA  14          3HB       ALA  14  10.092  -9.631  15.613
  112    H    PHE  15           H        PHE  15  13.592  -7.584  16.189
  113    HA   PHE  15           HA       PHE  15  12.961  -5.463  18.086
  114   1HB   PHE  15          2HB       PHE  15  14.840  -7.184  18.470
  115   2HB   PHE  15          1HB       PHE  15  15.723  -6.483  17.124
  116    HD1  PHE  15           HD1      PHE  15  14.296  -5.682  20.480
  117    HD2  PHE  15           HD2      PHE  15  17.104  -4.561  17.471
  118    HE1  PHE  15           HE1      PHE  15  15.272  -4.029  22.002
  119    HE2  PHE  15           HE2      PHE  15  18.081  -2.909  19.010
  120    HZ   PHE  15           HZ       PHE  15  17.166  -2.640  21.272
  121    H    GLN  16           H        GLN  16  14.349  -5.468  14.874
  122    HA   GLN  16           HA       GLN  16  14.685  -2.478  15.135
  123   1HB   GLN  16          2HB       GLN  16  15.459  -4.347  12.845
  124   2HB   GLN  16          1HB       GLN  16  15.667  -2.617  12.813
  125   1HG   GLN  16          2HG       GLN  16  16.870  -3.363  15.260
  126   2HG   GLN  16          1HG       GLN  16  17.250  -4.708  14.198
  127   1HE2  GLN  16          2HE2      GLN  16  18.548  -1.058  12.894
  128   2HE2  GLN  16          1HE2      GLN  16  17.010  -1.149  13.615
  129    H    CYS  17           H        CYS  17  12.795  -4.915  13.706
  130    HA   CYS  17           HA       CYS  17  11.317  -3.271  11.849
  131   1HB   CYS  17          2HB       CYS  17  10.718  -6.069  12.874
  132   2HB   CYS  17          1HB       CYS  17  10.096  -5.328  11.421
  133    H    LYS  18           H        LYS  18  10.735  -4.410  15.196
  134    HA   LYS  18           HA       LYS  18   7.983  -3.273  14.937
  135   1HB   LYS  18          2HB       LYS  18   8.622  -5.509  16.115
  136   2HB   LYS  18          1HB       LYS  18   9.206  -4.512  17.426
  137   1HG   LYS  18          2HG       LYS  18   6.992  -3.487  17.702
  138   2HG   LYS  18          1HG       LYS  18   6.389  -4.310  16.277
  139   1HD   LYS  18          2HD       LYS  18   7.115  -6.522  17.545
  140   2HD   LYS  18          1HD       LYS  18   7.175  -5.489  18.959
  141   1HE   LYS  18          2HE       LYS  18   4.937  -6.538  18.743
  142   2HE   LYS  18          1HE       LYS  18   4.811  -4.795  18.558
  143   1HZ   LYS  18          2HZ       LYS  18   5.362  -5.933  16.043
  144   2HZ   LYS  18          1HZ       LYS  18   4.069  -6.779  16.747
  145   3HZ   LYS  18          3HZ       LYS  18   3.974  -5.097  16.549
  146    H    HIS  19           H        HIS  19  11.097  -2.573  16.247
  147    HA   HIS  19           HA       HIS  19  10.136  -0.319  17.818
  148   1HB   HIS  19          2HB       HIS  19  12.908  -1.452  17.466
  149   2HB   HIS  19          1HB       HIS  19  12.331  -0.361  18.704
  150    HD1  HIS  19           HD1      HIS  19   9.777  -2.394  18.456
  151    HD2  HIS  19           HD2      HIS  19  13.553  -2.966  19.883
  152    HE1  HIS  19           HE1      HIS  19   9.675  -4.287  19.909
  153    H    SER  20           H        SER  20  12.623  -0.747  15.097
  154    HA   SER  20           HA       SER  20  12.709   2.160  14.992
  155   1HB   SER  20          2HB       SER  20  14.005  -0.020  13.251
  156   2HB   SER  20          1HB       SER  20  14.313   1.706  13.159
  157    HG   SER  20           HG       SER  20  15.588   1.415  14.815
  158    H    MET  21           H        MET  21  10.537   2.649  14.555
  159    HA   MET  21           HA       MET  21   8.796   1.611  12.676
  160   1HB   MET  21          2HB       MET  21   7.805   3.911  12.619
  161   2HB   MET  21          1HB       MET  21   8.250   3.445  14.234
  162   1HG   MET  21          2HG       MET  21  10.563   4.663  13.619
  163   2HG   MET  21          1HG       MET  21   9.578   5.425  12.396
  164   1HE   MET  21          2HE       MET  21   9.353   4.358  16.068
  165   2HE   MET  21          1HE       MET  21  10.807   5.376  15.944
  166   3HE   MET  21          3HE       MET  21   9.416   5.902  16.878
  167    H    LYS  22           H        LYS  22  11.398   3.892  11.897
  168    HA   LYS  22           HA       LYS  22  10.652   4.105   9.123
  169   1HB   LYS  22          2HB       LYS  22  12.133   5.685  10.423
  170   2HB   LYS  22          1HB       LYS  22  13.399   4.468  10.433
  171   1HG   LYS  22          2HG       LYS  22  13.518   4.515   7.965
  172   2HG   LYS  22          1HG       LYS  22  12.199   5.670   7.906
  173   1HD   LYS  22          2HD       LYS  22  14.827   6.165   9.374
  174   2HD   LYS  22          1HD       LYS  22  14.533   6.675   7.724
  175   1HE   LYS  22          2HE       LYS  22  12.686   8.137   8.441
  176   2HE   LYS  22          1HE       LYS  22  12.818   7.576  10.100
  177   1HZ   LYS  22          2HZ       LYS  22  15.346   8.429   9.246
  178   2HZ   LYS  22          1HZ       LYS  22  14.213   9.636   8.878
  179   3HZ   LYS  22          3HZ       LYS  22  14.365   9.071  10.471
  180    H    TYR  23           H        TYR  23  12.279   1.690  10.882
  181    HA   TYR  23           HA       TYR  23  13.573   0.469   8.564
  182   1HB   TYR  23          2HB       TYR  23  13.274  -0.144  11.471
  183   2HB   TYR  23          1HB       TYR  23  13.353  -1.567  10.512
  184    HD1  TYR  23           HD2      TYR  23  15.054   1.790  10.915
  185    HD2  TYR  23           HD1      TYR  23  15.476  -2.297   9.785
  186    HE1  TYR  23           HE2      TYR  23  17.489   2.100  10.630
  187    HE2  TYR  23           HE1      TYR  23  17.849  -1.977   9.510
  188    HH   TYR  23           HH       TYR  23  19.618  -0.626  10.020
  189    H    ARG  24           H        ARG  24  10.651   0.069  10.414
  190    HA   ARG  24           HA       ARG  24   9.704  -2.086   8.724
  191   1HB   ARG  24          2HB       ARG  24   9.039  -1.431  11.253
  192   2HB   ARG  24          1HB       ARG  24   8.086  -0.144  10.591
  193   1HG   ARG  24          2HG       ARG  24   7.282  -2.953   9.851
  194   2HG   ARG  24          1HG       ARG  24   6.994  -2.369  11.437
  195   1HD   ARG  24          2HD       ARG  24   6.057  -0.778   9.033
  196   2HD   ARG  24          1HD       ARG  24   5.094  -2.050   9.751
  197    HE   ARG  24           HE       ARG  24   5.640   0.573  10.951
  198   1HH1  ARG  24          2HH1      ARG  24   6.304  -1.344  13.058
  199   2HH1  ARG  24          1HH1      ARG  24   4.808  -1.658  13.856
  200   1HH2  ARG  24          1HH2      ARG  24   2.988  -0.302  11.176
  201   2HH2  ARG  24          2HH2      ARG  24   2.825  -0.991  12.759
  202    H    LEU  25           H        LEU  25   8.728   1.320   9.063
  203    HA   LEU  25           HA       LEU  25   7.094   1.393   6.738
  204   1HB   LEU  25          2HB       LEU  25   8.164   3.365   8.719
  205   2HB   LEU  25          1HB       LEU  25   7.114   3.763   7.423
  206    HG   LEU  25           HG       LEU  25   6.329   1.454   9.272
  207   1HD1  LEU  25          2HD1      LEU  25   5.972   4.406   9.987
  208   2HD1  LEU  25          1HD1      LEU  25   5.329   3.046  10.899
  209   3HD1  LEU  25          3HD1      LEU  25   7.058   3.278  10.776
  210   1HD2  LEU  25          2HD2      LEU  25   4.674   3.674   7.975
  211   2HD2  LEU  25          1HD2      LEU  25   4.858   2.059   7.316
  212   3HD2  LEU  25          3HD2      LEU  25   4.037   2.290   8.845
  213    H    SER  26           H        SER  26  10.400   1.518   6.788
  214    HA   SER  26           HA       SER  26  10.312   2.973   4.177
  215   1HB   SER  26          2HB       SER  26  12.382   3.775   6.292
  216   2HB   SER  26          1HB       SER  26  12.092   4.498   4.721
  217    HG   SER  26           HG       SER  26   9.739   4.478   5.723
  218    H    PHE  27           H        PHE  27  12.769   1.438   6.297
  219    HA   PHE  27           HA       PHE  27  14.338   0.709   3.971
  220   1HB   PHE  27          2HB       PHE  27  14.456  -0.370   6.812
  221   2HB   PHE  27          1HB       PHE  27  15.560  -0.814   5.547
  222    HD1  PHE  27           HD2      PHE  27  17.098   0.831   4.554
  223    HD2  PHE  27           HD1      PHE  27  14.644   1.983   7.841
  224    HE1  PHE  27           HE2      PHE  27  18.492   2.805   4.915
  225    HE2  PHE  27           HE1      PHE  27  16.045   3.950   8.196
  226    HZ   PHE  27           HZ       PHE  27  17.970   4.373   6.736
  227    H    CYS  28           H        CYS  28  12.438  -1.304   6.157
  228    HA   CYS  28           HA       CYS  28  12.532  -3.510   4.273
  229   1HB   CYS  28          2HB       CYS  28  11.592  -3.230   7.081
  230   2HB   CYS  28          1HB       CYS  28  11.607  -4.675   6.412
  231    H    ARG  29           H        ARG  29  10.562  -1.377   3.645
  232    HA   ARG  29           HA       ARG  29   7.981  -2.244   4.458
  233   1HB   ARG  29          2HB       ARG  29   9.035  -0.915   1.953
  234   2HB   ARG  29          1HB       ARG  29   7.339  -1.197   2.212
  235   1HG   ARG  29          2HG       ARG  29   7.540   0.055   4.429
  236   2HG   ARG  29          1HG       ARG  29   9.196   0.430   3.994
  237   1HD   ARG  29          2HD       ARG  29   7.704   2.276   3.335
  238   2HD   ARG  29          1HD       ARG  29   8.415   1.545   1.907
  239    HE   ARG  29           HE       ARG  29   5.856   0.311   2.540
  240   1HH1  ARG  29          1HH2      ARG  29   6.953   1.035  -0.103
  241   2HH1  ARG  29          2HH2      ARG  29   5.933   2.329  -0.639
  242   1HH2  ARG  29          2HH1      ARG  29   4.705   2.752   2.638
  243   2HH2  ARG  29          1HH1      ARG  29   4.551   3.373   1.025
  244    H    LYS  30           H        LYS  30  10.197  -4.166   3.002
  245    HA   LYS  30           HA       LYS  30   8.570  -5.532   1.067
  246   1HB   LYS  30          2HB       LYS  30  10.425  -7.137   1.029
  247   2HB   LYS  30          1HB       LYS  30  10.976  -5.522   0.758
  248   1HG   LYS  30          2HG       LYS  30  12.580  -6.294   2.269
  249   2HG   LYS  30          1HG       LYS  30  11.482  -5.495   3.357
  250   1HD   LYS  30          2HD       LYS  30  12.194  -7.570   4.294
  251   2HD   LYS  30          1HD       LYS  30  10.532  -7.788   3.818
  252   1HE   LYS  30          2HE       LYS  30  11.307  -8.877   1.683
  253   2HE   LYS  30          1HE       LYS  30  12.951  -8.813   2.298
  254   1HZ   LYS  30          3HZ       LYS  30  11.224  -9.812   4.276
  255   2HZ   LYS  30          2HZ       LYS  30  10.918 -10.635   2.856
  256   3HZ   LYS  30          1HZ       LYS  30  12.501 -10.637   3.496
  257    H    THR  31           H        THR  31   9.244  -5.843   4.554
  258    HA   THR  31           HA       THR  31   7.023  -7.810   4.651
  259    HB   THR  31           HB       THR  31   9.677  -8.886   5.491
  260    HG1  THR  31           HG1      THR  31   8.308  -9.069   3.086
  261   1HG2  THR  31          3HG2      THR  31   7.711  -9.908   6.630
  262   2HG2  THR  31          2HG2      THR  31   7.037 -10.305   5.065
  263   3HG2  THR  31          1HG2      THR  31   8.540 -11.055   5.584
  264    H    CYS  32           H        CYS  32   9.927  -7.034   6.224
  265    HA   CYS  32           HA       CYS  32   8.979  -7.287   8.941
  266   1HB   CYS  32          2HB       CYS  32  11.290  -6.401   7.533
  267   2HB   CYS  32          1HB       CYS  32  10.940  -5.263   8.783
  268    H    GLY  33           H        GLY  33   9.051  -5.014   6.577
  269   1HA   GLY  33          2HA       GLY  33   8.038  -2.823   8.128
  270   2HA   GLY  33          1HA       GLY  33   8.533  -2.836   6.450
  271    H    THR  34           H        THR  34   6.944  -4.676   5.343
  272    HA   THR  34           HA       THR  34   4.216  -4.135   6.257
  273    HB   THR  34           HB       THR  34   4.455  -2.996   3.517
  274    HG1  THR  34           HG1      THR  34   6.044  -1.757   3.818
  275   1HG2  THR  34          3HG2      THR  34   3.821  -1.714   6.259
  276   2HG2  THR  34          2HG2      THR  34   3.375  -1.015   4.712
  277   3HG2  THR  34          1HG2      THR  34   2.583  -2.482   5.276
  278    H    CYS  35           H        CYS  35   5.380  -6.720   5.483
  279    HA   CYS  35           HA       CYS  35   3.161  -7.744   4.017
  280   1HB   CYS  35          2HB       CYS  35   5.650  -7.044   2.615
  281   2HB   CYS  35          1HB       CYS  35   5.225  -8.696   2.385
   
  No H/Q in entry =         281