*HEADER   NEUROTOXIN                              09-OCT-97   1QDP    
*TITLE    SOLUTION STRUCTURE OF ROBUSTOXIN, THE LETHAL NEUROTOXIN     
*TITLE   2 FROM THE FUNNEL WEB SPIDER ATRAX ROBUSTUS, NMR,            
*TITLE   3 20 STRUCTURES                                              
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: ROBUSTOXIN;                                      
*COMPND  3 CHAIN: NULL                                                
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 ORGANISM_SCIENTIFIC: ATRAX ROBUSTUS;                       
*SOURCE  3 ORGANISM_COMMON: FUNNEL-WEB SPIDER;                        
*SOURCE  4 ORGAN: VENOM GLAND                                         
*KEYWDS   NEUROTOXIN, ATRAX ROBUSTUS, ROBUSTOXIN, CYSTINE KNOT,       
*KEYWDS  2 INHIBITOR CYSTINE KNOT MOTIF, SODIUM CHANNEL MODULATOR,    
*KEYWDS  3 FUNNEL WEB SPIDER, NMR, VENOM                              
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   P.K.PALLAGHY,D.ALEWOOD,P.F.ALEWOOD,R.S.NORTON               
*REVDAT  1   14-JAN-98 1QDP    0                                      
 
! long/medium NOEs
!1 CYS
assign (resid  1 and name   HA) (resid 16 and name   HN) 0.00 0  3.96
assign (resid  1 and name   CB) (resid 15 and name   SG) 3.00 0  0.10
assign (resid  1 and name  HB#) (resid 14 and name   HA) 0.00 0  5.59
assign (resid  1 and name  HB#) (resid 15 and name   HN) 0.00 0  5.17
assign (resid  1 and name   SG) (resid 15 and name   CB) 3.00 0  0.10
assign (resid  1 and name   SG) (resid 15 and name   SG) 2.00 0  0.10
!2 ALA
assign (resid  2 and name   HN) (resid 14 and name   HN) 0.00 0  4.45
assign (resid  2 and name   HN) (resid 14 and name   HA) 0.00 0  2.84
assign (resid  2 and name   HN) (resid 15 and name   HN) 0.00 0  3.13
assign (resid  2 and name   HN) (resid 15 and name  HB2) 0.00 0  4.35
assign (resid  2 and name   HN) (resid 15 and name  HB1) 0.00 0  4.35
assign (resid  2 and name   HN) (resid 15 and name  HB#) 0.00 0  4.20
assign (resid  2 and name   HN) (resid 18 and name  HE#) 0.00 0  6.29
assign (resid  2 and name  HB#) (resid  6 and name  HB#) 0.00 0  5.52
assign (resid  2 and name  HB#) (resid 14 and name   HA) 0.00 0  4.66
!3 LYS
assign (resid  3 and name   HN) (resid  6 and name  HB#) 0.00 0  4.59
assign (resid  3 and name   HN) (resid 18 and name  HE#) 0.00 0  5.96
!4 LYS
assign (resid  4 and name   HN) (resid 18 and name  HE#) 0.00 0  4.77
assign (resid  4 and name   HA) (resid  6 and name   HN) 0.00 0  4.02
assign (resid  4 and name   HA) (resid 18 and name  HE#) 0.00 0  5.14
assign (resid  4 and name   HA) (resid 31 and name   HN) 0.00 0  3.70
assign (resid  4 and name   HA) (resid 31 and name  HB2) 0.00 0  3.66
assign (resid  4 and name   HA) (resid 31 and name  HB1) 0.00 0  3.66
assign (resid  4 and name   HA) (resid 32 and name   HA) 0.00 0  4.44
!5 ARG
assign (resid  5 and name   HN) (resid 30 and name  HB#) 0.00 0  5.85
!6 ASN
assign (resid  6 and name   HA) (resid  7 and name  HB#) 0.00 0  5.46
assign (resid  6 and name   HA) (resid  7 and name  HD1) 0.00 0  5.53
assign (resid  6 and name   HA) (resid  7 and name  HE3) 0.00 0  5.95
!7 TRP
assign (resid  7 and name   HN) (resid  7 and name  HE3) 0.00 0  4.17
assign (resid  7 and name   HN) (resid  7 and name  HE1) 0.00 0  5.73
assign (resid  7 and name   HA) (resid 30 and name   HA) 0.00 0  3.67
assign (resid  7 and name   HA) (resid 30 and name  HB#) 0.00 0  4.85
assign (resid  7 and name  HB#) (resid 22 and name  HE#) 0.00 0  7.83
assign (resid  7 and name  HB#) (resid 30 and name   HA) 0.00 0  5.04
assign (resid  7 and name  HD1) (resid 30 and name   HA) 0.00 0  4.81
assign (resid  7 and name  HE3) (resid 28 and name  HB#) 0.00 0  5.75
assign (resid  7 and name  HE3) (resid 30 and name   HA) 0.00 0  4.16
assign (resid  7 and name  HE3) (resid 30 and name  HB#) 0.00 0  5.10
assign (resid  7 and name  HE1) (resid 29 and name   HN) 0.00 0  4.17
assign (resid  7 and name  HZ3) (resid 30 and name  HB#) 0.00 0  5.96
assign (resid  7 and name  HZ2) (resid  9 and name  HA#) 0.00 0  5.58
!8 CYS
assign (resid  8 and name   HN) (resid 30 and name   HA) 0.00 0  3.05
assign (resid  8 and name   HN) (resid 30 and name  HB#) 0.00 0  5.36
assign (resid  8 and name   CB) (resid 20 and name   SG) 3.00 0  0.10
assign (resid  8 and name   SG) (resid 20 and name   CB) 3.00 0  0.10
assign (resid  8 and name   SG) (resid 20 and name   SG) 2.00 0  0.10
!9 GLY
assign (resid  9 and name  HA1) (resid 22 and name  HE#) 0.00 0  6.71
assign (resid  9 and name  HA2) (resid 22 and name  HE#) 0.00 0  6.71
assign (resid  9 and name  HA#) (resid 22 and name  HE#) 0.00 0  6.35
!10 LYS
assign (resid 10 and name   HN) (resid 12 and name   HN) 0.00 0  3.81
assign (resid 10 and name   HA) (resid 12 and name   HN) 0.00 0  4.26
assign (resid 10 and name   HA) (resid 20 and name   HN) 0.00 0  4.27
assign (resid 10 and name   HA) (resid 20 and name  HB2) 0.00 0  4.01
assign (resid 10 and name   HA) (resid 20 and name  HB1) 0.00 0  4.01
assign (resid 10 and name   HA) (resid 20 and name  HB#) 0.00 0  3.79
assign (resid 10 and name   HA) (resid 22 and name  HE#) 0.00 0  5.80
assign (resid 10 and name  HB#) (resid 22 and name  HE#) 0.00 0  8.00
assign (resid 10 and name  HG2) (resid 12 and name   HN) 0.00 0  3.67
assign (resid 10 and name  HG1) (resid 12 and name   HN) 0.00 0  3.67
assign (resid 10 and name  HG#) (resid 12 and name   HN) 0.00 0  3.50
assign (resid 10 and name  HD2) (resid 12 and name   HN) 0.00 0  4.02
assign (resid 10 and name  HD1) (resid 12 and name   HN) 0.00 0  4.02
!11 ASN
assign (resid 11 and name   HN) (resid 20 and name  HB#) 0.00 0  4.87
assign (resid 11 and name   HA) (resid 20 and name   HN) 0.00 0  2.74
assign (resid 11 and name   HA) (resid 20 and name  HB2) 0.00 0  3.86
assign (resid 11 and name   HA) (resid 20 and name  HB1) 0.00 0  3.86
assign (resid 11 and name   HA) (resid 20 and name  HB#) 0.00 0  3.45
!14 CYS
assign (resid 14 and name   HA) (resid 15 and name  HB2) 0.00 0  5.02
assign (resid 14 and name   HA) (resid 15 and name  HB1) 0.00 0  5.02
assign (resid 14 and name   HA) (resid 15 and name  HB#) 0.00 0  4.58
assign (resid 14 and name   HA) (resid 18 and name  HE#) 0.00 0  5.16
assign (resid 14 and name   CB) (resid 31 and name   SG) 3.00 0  0.10
assign (resid 14 and name   SG) (resid 31 and name   CB) 3.00 0  0.10
assign (resid 14 and name   SG) (resid 31 and name   SG) 2.00 0  0.10
!15 CYS
assign (resid 15 and name   HN) (resid 18 and name  HB#) 0.00 0  4.83
assign (resid 15 and name   HN) (resid 18 and name  HE#) 0.00 0  4.65
assign (resid 15 and name  HB2) (resid 18 and name  HE#) 0.00 0  4.63
assign (resid 15 and name  HB1) (resid 18 and name  HE#) 0.00 0  4.63
!16 CYS
assign (resid 16 and name   HN) (resid 17 and name   HA) 0.00 0  4.53
assign (resid 16 and name   HN) (resid 18 and name  HE#) 0.00 0  5.62
assign (resid 16 and name   HN) (resid 42 and name  HB#) 0.00 0  5.05
assign (resid 16 and name   HA) (resid 17 and name  HB2) 0.00 0  4.54
assign (resid 16 and name   HA) (resid 17 and name  HB1) 0.00 0  4.54
assign (resid 16 and name   HA) (resid 17 and name  HB#) 0.00 0  4.18
assign (resid 16 and name   HA) (resid 17 and name  HG2) 0.00 0  5.64
assign (resid 16 and name   HA) (resid 17 and name  HG1) 0.00 0  5.64
assign (resid 16 and name   HA) (resid 17 and name  HD#) 0.00 0  4.69
assign (resid 16 and name   HA) (resid 18 and name   HN) 0.00 0  2.80
assign (resid 16 and name   HA) (resid 18 and name  HB#) 0.00 0  4.84
assign (resid 16 and name   HA) (resid 42 and name  HB#) 0.00 0  4.91
assign (resid 16 and name   CB) (resid 42 and name   SG) 3.00 0  0.10
assign (resid 16 and name  HB#) (resid 42 and name   HN) 0.00 0  5.36
assign (resid 16 and name   SG) (resid 42 and name   CB) 3.00 0  0.10
assign (resid 16 and name   SG) (resid 42 and name   SG) 2.00 0  0.10
!17 PRO
assign (resid 17 and name   HA) (resid 18 and name  HB#) 0.00 0  4.81
assign (resid 17 and name   HA) (resid 18 and name  HE#) 0.00 0  6.17
assign (resid 17 and name   HA) (resid 40 and name  HG#) 0.00 0  5.40
assign (resid 17 and name  HB#) (resid 33 and name HG2#) 0.00 0  7.04
assign (resid 17 and name  HB#) (resid 37 and name  HA#) 0.00 0  4.66
assign (resid 17 and name  HB#) (resid 40 and name   HN) 0.00 0  5.18
assign (resid 17 and name  HG#) (resid 33 and name HG2#) 0.00 0  6.42
assign (resid 17 and name  HD2) (resid 33 and name HG2#) 0.00 0  5.84
assign (resid 17 and name  HD1) (resid 33 and name HG2#) 0.00 0  5.84
assign (resid 17 and name  HD#) (resid 18 and name  HE#) 0.00 0  5.97
!18 MET
assign (resid 18 and name   HN) (resid 33 and name HG2#) 0.00 0  5.44
assign (resid 18 and name   HA) (resid 32 and name   HN) 0.00 0  4.17
assign (resid 18 and name  HE#) (resid 32 and name   HN) 0.00 0  5.90
assign (resid 18 and name  HE#) (resid 33 and name   HA) 0.00 0  5.32
assign (resid 18 and name  HE#) (resid 33 and name HG2#) 0.00 0  6.12
!19 LYS
assign (resid 19 and name   HN) (resid 32 and name   HN) 0.00 0  2.92
assign (resid 19 and name   HN) (resid 33 and name   HA) 0.00 0  3.21
assign (resid 19 and name  HB#) (resid 21 and name HD1#) 0.00 0  5.87
!20 CYS
assign (resid 20 and name   HA) (resid 21 and name HD1#) 0.00 0  6.05
assign (resid 20 and name   HA) (resid 32 and name   HN) 0.00 0  3.14
assign (resid 20 and name  HB#) (resid 22 and name  HE#) 0.00 0  8.17
!21 ILE
assign (resid 21 and name   HN) (resid 30 and name   HN) 0.00 0  2.84
assign (resid 21 and name   HA) (resid 22 and name  HD#) 0.00 0  5.96
assign (resid 21 and name   HA) (resid 22 and name  HE#) 0.00 0  6.65
assign (resid 21 and name   HB) (resid 32 and name HE2#) 0.00 0  5.06
assign (resid 21 and name HG2#) (resid 22 and name  HD#) 0.00 0  8.08
assign (resid 21 and name HG2#) (resid 22 and name  HE#) 0.00 0  8.93
assign (resid 21 and name HG2#) (resid 32 and name   HN) 0.00 0  6.14
assign (resid 21 and name HG2#) (resid 32 and name HE2#) 0.00 0  6.57
assign (resid 21 and name HG12) (resid 32 and name   HN) 0.00 0  4.11
assign (resid 21 and name HG11) (resid 32 and name   HN) 0.00 0  4.11
assign (resid 21 and name HG1#) (resid 32 and name   HN) 0.00 0  3.95
assign (resid 21 and name HG1#) (resid 32 and name  HG#) 0.00 0  5.03
assign (resid 21 and name HD1#) (resid 22 and name  HB#) 0.00 0  6.98
assign (resid 21 and name HD1#) (resid 22 and name  HD#) 0.00 0  8.32
assign (resid 21 and name HD1#) (resid 22 and name  HE#) 0.00 0  6.72
assign (resid 21 and name HD1#) (resid 30 and name   HN) 0.00 0  6.27
assign (resid 21 and name HD1#) (resid 32 and name   HN) 0.00 0  5.79
assign (resid 21 and name HD1#) (resid 32 and name   HA) 0.00 0  6.10
assign (resid 21 and name HD1#) (resid 32 and name  HB#) 0.00 0  4.93
assign (resid 21 and name HD1#) (resid 32 and name  HG2) 0.00 0  5.21
assign (resid 21 and name HD1#) (resid 32 and name  HG1) 0.00 0  5.21
assign (resid 21 and name HD1#) (resid 32 and name  HG#) 0.00 0  4.96
assign (resid 21 and name HD1#) (resid 32 and name HE2#) 0.00 0  7.26
assign (resid 21 and name HD1#) (resid 34 and name   HA) 0.00 0  5.99
assign (resid 21 and name HD1#) (resid 34 and name HG2#) 0.00 0  5.12
!22 TYR
assign (resid 22 and name  HD#) (resid 27 and name   HN) 0.00 0  6.54
assign (resid 22 and name  HD#) (resid 29 and name   HN) 0.00 0  6.19
assign (resid 22 and name  HD#) (resid 29 and name  HA#) 0.00 0  6.92
assign (resid 22 and name  HE#) (resid 27 and name   HN) 0.00 0  7.42
assign (resid 22 and name  HE#) (resid 28 and name   HA) 0.00 0  6.15
assign (resid 22 and name  HE#) (resid 29 and name   HN) 0.00 0  6.23
assign (resid 22 and name  HE#) (resid 29 and name  HA1) 0.00 0  6.33
assign (resid 22 and name  HE#) (resid 29 and name  HA2) 0.00 0  6.33
!23 ALA
assign (resid 23 and name  HB#) (resid 25 and name  HD#) 0.00 0  7.83
assign (resid 23 and name  HB#) (resid 25 and name  HE#) 0.00 0  7.68
!24 TRP
assign (resid 24 and name  HZ2) (resid 25 and name   HA) 0.00 0  4.34
!25 TYR
assign (resid 25 and name  HD#) (resid 26 and name  HB#) 0.00 0  7.19
assign (resid 25 and name  HD#) (resid 27 and name   HN) 0.00 0  7.84
assign (resid 25 and name  HE#) (resid 26 and name  HB#) 0.00 0  7.42
!30 SER
assign (resid 30 and name  HB#) (resid 32 and name HE2#) 0.00 0  6.08
!32 GLN
assign (resid 32 and name   HA) (resid 33 and name HG2#) 0.00 0  5.36
assign (resid 32 and name   HA) (resid 34 and name   HN) 0.00 0  4.40
!33 THR
assign (resid 33 and name   HA) (resid 34 and name HG2#) 0.00 0  5.38
assign (resid 33 and name HG2#) (resid 34 and name   HA) 0.00 0  5.60
assign (resid 33 and name HG2#) (resid 37 and name  HA#) 0.00 0  6.32
!34 THR
assign (resid 34 and name   HN) (resid 36 and name   HN) 0.00 0  4.19
assign (resid 34 and name   HN) (resid 37 and name   HN) 0.00 0  3.84
assign (resid 34 and name   HN) (resid 37 and name  HA#) 0.00 0  4.93
assign (resid 34 and name   HA) (resid 35 and name HG2#) 0.00 0  5.52
assign (resid 34 and name   HA) (resid 36 and name   HN) 0.00 0  3.49
assign (resid 34 and name HG2#) (resid 36 and name   HN) 0.00 0  5.18
assign (resid 34 and name HG2#) (resid 37 and name  HA#) 0.00 0  6.53
!35 ILE
assign (resid 35 and name   HN) (resid 37 and name   HN) 0.00 0  3.47
assign (resid 35 and name HG2#) (resid 36 and name   HA) 0.00 0  5.15
assign (resid 35 and name HG2#) (resid 37 and name   HN) 0.00 0  5.76
assign (resid 35 and name HG2#) (resid 37 and name  HA#) 0.00 0  7.13
assign (resid 35 and name HG2#) (resid 38 and name   HN) 0.00 0  6.91
assign (resid 35 and name HG2#) (resid 39 and name  HE#) 0.00 0  8.37
!36 THR
assign (resid 36 and name   HN) (resid 37 and name  HA#) 0.00 0  4.49
assign (resid 36 and name   HA) (resid 37 and name  HA#) 0.00 0  4.76
assign (resid 36 and name   HA) (resid 38 and name   HN) 0.00 0  3.54
assign (resid 36 and name   HA) (resid 39 and name  HD#) 0.00 0  6.58
assign (resid 36 and name   HB) (resid 37 and name  HA#) 0.00 0  5.62
assign (resid 36 and name   HB) (resid 39 and name  HE#) 0.00 0  6.81
!37 GLY
assign (resid 37 and name  HA#) (resid 38 and name   HA) 0.00 0  4.99
assign (resid 37 and name  HA#) (resid 38 and name  HB2) 0.00 0  4.92
assign (resid 37 and name  HA#) (resid 38 and name  HB1) 0.00 0  4.92
assign (resid 37 and name  HA#) (resid 40 and name  HB2) 0.00 0  5.30
assign (resid 37 and name  HA#) (resid 40 and name  HB1) 0.00 0  5.30
assign (resid 37 and name  HA#) (resid 40 and name  HB#) 0.00 0  5.12
!38 LEU
assign (resid 38 and name HD1#) (resid 39 and name  HD#) 0.00 0  8.99
assign (resid 38 and name HD1#) (resid 39 and name  HE#) 0.00 0  8.76
assign (resid 38 and name HD2#) (resid 39 and name  HD#) 0.00 0  8.99
assign (resid 38 and name HD2#) (resid 39 and name  HE#) 0.00 0  8.76
assign (resid 38 and name  HD#) (resid 39 and name  HD#) 0.00 0  8.64

!intra NOEs
assign (resid   3 and name   HN) (resid  3 and name   HA) 0.00 0  4.54
assign (resid   6 and name   HN) (resid  6 and name   HA) 0.00 0  4.36
assign (resid   9 and name   HN) (resid  9 and name   HA1) 0.00 0  4.44
assign (resid  10 and name   HN) (resid 10 and name   HA) 0.00 0  4.57
assign (resid  12 and name   HN) (resid 12 and name   HA) 0.00 0  4.24
assign (resid  13 and name   HN) (resid 13 and name   HA) 0.00 0  4.41
assign (resid  14 and name   HN) (resid 14 and name   HA) 0.00 0  4.56
assign (resid  15 and name   HN) (resid 15 and name   HA) 0.00 0  4.48
assign (resid  16 and name   HN) (resid 16 and name   HA) 0.00 0  5.39
assign (resid  20 and name   HN) (resid 20 and name   HA) 0.00 0  4.66
assign (resid  29 and name   HN) (resid 29 and name   HA1) 0.00 0  4.45
assign (resid  29 and name   HN) (resid 29 and name   HA2) 0.00 0  4.45
assign (resid  30 and name   HN) (resid 30 and name   HA) 0.00 0  4.50
assign (resid  32 and name   HN) (resid 32 and name   HA) 0.00 0  4.63
assign (resid  33 and name   HN) (resid 33 and name   HA) 0.00 0  4.36
assign (resid  34 and name   HN) (resid 34 and name   HA) 0.00 0  4.41
assign (resid  35 and name   HN) (resid 35 and name   HA) 0.00 0  4.25
assign (resid  39 and name   HN) (resid 39 and name   HA) 0.00 0  4.12
assign (resid  42 and name   HN) (resid 42 and name   HA) 0.00 0  4.21

assign (resid   3 and name   HN) (resid  3 and name  HB#) 0.00 0  5.68
assign (resid  10 and name   HN) (resid 10 and name  HB#) 0.00 0  6.02
assign (resid  15 and name   HN) (resid 15 and name  HB#) 0.00 0  5.83
assign (resid  30 and name   HN) (resid 30 and name  HB#) 0.00 0  6.13


assign (resid  12 and name   HN) (resid 12 and name  HB1) 0.00 0  4.83
assign (resid  12 and name   HN) (resid 12 and name  HB2) 0.00 0  4.83
assign (resid  16 and name   HN) (resid 16 and name  HB1) 0.00 0  4.62
assign (resid  16 and name   HN) (resid 16 and name  HB2) 0.00 0  4.62
assign (resid  20 and name   HN) (resid 20 and name  HB1) 0.00 0  4.92
assign (resid  20 and name   HN) (resid 20 and name  HB2) 0.00 0  4.92
assign (resid   7 and name   HN) (resid  7 and name  HB1) 0.00 0  4.82
assign (resid   7 and name   HN) (resid  7 and name  HB2) 0.00 0  4.82
assign (resid  42 and name   HN) (resid 42 and name  HB1) 0.00 0  4.73
assign (resid  42 and name   HN) (resid 42 and name  HB2) 0.00 0  4.73

assign (resid  12 and name   HN) (resid 12 and name  HG1) 0.00 0  5.15
assign (resid  12 and name   HN) (resid 12 and name  HG2) 0.00 0  5.15

assign (resid  34 and name   HN) (resid 34 and name   HB) 0.00 0  5.04
assign (resid   7 and name  HE3) (resid  7 and name   HA) 0.00 0  5.25
assign (resid  39 and name  HD#) (resid 39 and name   HA) 0.00 0  7.12
assign (resid  24 and name  HZ3) (resid 24 and name   HA) 0.00 0  5.96
assign (resid   6 and name HD2#) (resid  6 and name   HA) 0.00 0  5.99
assign (resid  25 and name  HE#) (resid 25 and name   HA) 0.00 0  7.77
assign (resid  25 and name  HD#) (resid 25 and name   HA) 0.00 0  7.23
assign (resid  32 and name HE2#) (resid 32 and name   HA) 0.00 0  7.04
assign (resid  24 and name  HE3) (resid 24 and name  HB#) 0.00 0  5.51
assign (resid  24 and name  HZ2) (resid 24 and name  HB1) 0.00 0  7.20
assign (resid  24 and name  HZ2) (resid 24 and name  HB2) 0.00 0  7.20
assign (resid   7 and name  HZ2) (resid  7 and name  HB#) 0.00 0  6.99
assign (resid   7 and name  HE3) (resid  7 and name  HB1) 0.00 0  4.93
assign (resid   7 and name  HE3) (resid  7 and name  HB2) 0.00 0  4.53
assign (resid  39 and name  HD#) (resid 39 and name  HB1) 0.00 0  7.00
assign (resid  39 and name  HD#) (resid 39 and name  HB2) 0.00 0  7.00
assign (resid  26 and name  HB#) (resid 26 and name HD21) 0.00 0  5.96
assign (resid  26 and name  HB#) (resid 26 and name HD22) 0.00 0  5.96
assign (resid  24 and name  HD1) (resid 24 and name  HB#) 0.00 0  6.74
assign (resid  39 and name  HE#) (resid 39 and name  HB#) 0.00 0  8.72
assign (resid  25 and name  HE#) (resid 25 and name  HB1) 0.00 0  7.59
assign (resid  25 and name  HE#) (resid 25 and name  HB2) 0.00 0  7.59
assign (resid  25 and name  HD#) (resid 25 and name  HB1) 0.00 0  7.13
assign (resid  25 and name  HD#) (resid 25 and name  HB2) 0.00 0  7.13
assign (resid   7 and name  HE1) (resid  7 and name   HA) 0.00 0  6.93
assign (resid  24 and name  HE1) (resid 24 and name   HA) 0.00 0  6.62
assign (resid   7 and name  HE1) (resid  7 and name  HB1) 0.00 0  5.91
assign (resid   7 and name  HE1) (resid  7 and name  HB2) 0.00 0  5.91
assign (resid  24 and name  HE1) (resid 24 and name  HB#) 0.00 0  6.73
assign (resid   7 and name  HE1) (resid  7 and name   HN) 0.00 0  6.24
assign (resid  22 and name  HD#) (resid 22 and name   HN) 0.00 0  7.45
assign (resid  22 and name  HE#) (resid 22 and name   HN) 0.00 0  8.10
assign (resid  11 and name HD2#) (resid 11 and name   HN) 0.00 0  6.52
assign (resid   7 and name  HD1) (resid  7 and name   HN) 0.00 0  5.37
assign (resid  39 and name  HE#) (resid 39 and name   HN) 0.00 0  8.36

assign (resid  34 and name   HA) (resid 34 and name   HB) 0.00 0  4.80
assign (resid  33 and name   HA) (resid 33 and name   HB) 0.00 0  4.64
assign (resid  30 and name   HA) (resid 30 and name  HB1) 0.00 0  4.76
assign (resid  30 and name   HA) (resid 30 and name  HB2) 0.00 0  4.76
assign (resid  17 and name   HA) (resid 17 and name  HD#) 0.00 0  6.28
assign (resid  16 and name   HA) (resid 16 and name  HB1) 0.00 0  4.75
assign (resid  16 and name   HA) (resid 16 and name  HB2) 0.00 0  4.75
assign (resid   6 and name   HA) (resid  6 and name  HB#) 0.00 0  5.49
assign (resid  17 and name   HA) (resid 17 and name  HB1) 0.00 0  4.70
assign (resid  17 and name   HA) (resid 17 and name  HB2) 0.00 0  4.70
assign (resid  12 and name   HA) (resid 12 and name HG#) 0.00 0  5.81
assign (resid  12 and name   HA) (resid 12 and name HB#) 0.00 0  5.59
assign (resid  17 and name HB#) (resid 17 and name  HD1) 0.00 0  5.04
assign (resid  17 and name HB#) (resid 17 and name  HD2) 0.00 0  5.04
assign (resid  17 and name   HA) (resid 17 and name  HG1) 0.00 0  5.16
assign (resid  17 and name   HA) (resid 17 and name  HG2) 0.00 0  5.16
assign (resid  10 and name   HA) (resid 10 and name  HB1) 0.00 0  4.72
assign (resid  10 and name   HA) (resid 10 and name  HB2) 0.00 0  4.72
assign (resid  10 and name   HA) (resid 10 and name  HD1) 0.00 0  5.60
assign (resid  10 and name   HA) (resid 10 and name  HD2) 0.00 0  5.60
assign (resid  35 and name   HA) (resid 35 and name   HB) 0.00 0  4.57
assign (resid   3 and name   HA) (resid  3 and name HB#) 0.00 0  5.53
assign (resid   4 and name   HA) (resid  4 and name HG#) 0.00 0  5.75
assign (resid   5 and name   HA) (resid  5 and name HG#) 0.00 0  5.75
assign (resid  17 and name  HG1) (resid 17 and name HD#) 0.00 0  5.63
assign (resid  17 and name  HG2) (resid 17 and name HD#) 0.00 0  5.63
assign (resid  10 and name HD#) (resid 10 and name   HE#) 0.00 0  6.94
assign (resid  17 and name HB#) (resid 17 and name   HG#) 0.00 0  6.55
assign (resid  10 and name HG#) (resid 10 and name  HE1) 0.00 0  6.57
assign (resid  10 and name HG#) (resid 10 and name  HE2) 0.00 0  6.57
assign (resid  10 and name HG#) (resid 10 and name   HA) 0.00 0  6.34

! sequential NOEs
assign (resid   2 and name   HN) (resid  1 and name   HA) 0.00 0  4.25
assign (resid   3 and name   HN) (resid  2 and name   HA) 0.00 0  4.08
assign (resid  10 and name   HN) (resid  9 and name  HA#) 0.00 0  5.39
assign (resid  11 and name   HN) (resid 10 and name   HA) 0.00 0  4.19
assign (resid  13 and name   HN) (resid 12 and name   HA) 0.00 0  4.41
assign (resid  15 and name   HN) (resid 14 and name   HA) 0.00 0  4.19
assign (resid  16 and name   HN) (resid 15 and name   HA) 0.00 0  4.08
assign (resid  18 and name   HN) (resid 17 and name   HA) 0.00 0  4.45
assign (resid  19 and name   HN) (resid 18 and name   HA) 0.00 0  4.13
assign (resid  22 and name   HN) (resid 21 and name   HA) 0.00 0  4.09
assign (resid  29 and name   HN) (resid 28 and name   HA) 0.00 0  4.18
assign (resid  32 and name   HN) (resid 31 and name   HA) 0.00 0  4.41
assign (resid  33 and name   HN) (resid 32 and name   HA) 0.00 0  4.45
assign (resid  34 and name   HN) (resid 33 and name   HA) 0.00 0  4.04
assign (resid  35 and name   HN) (resid 34 and name   HA) 0.00 0  4.04
assign (resid  40 and name   HN) (resid 39 and name   HA) 0.00 0  4.01
assign (resid  42 and name   HN) (resid 41 and name   HA) 0.00 0  3.83

assign (resid  15 and name   HN) (resid 14 and name   HN) 0.00 0  4.93
assign (resid  13 and name   HN) (resid 12 and name   HN) 0.00 0  4.56
assign (resid  32 and name   HN) (resid 31 and name   HN) 0.00 0  5.10
assign (resid  34 and name   HN) (resid 33 and name   HN) 0.00 0  4.60
assign (resid  10 and name   HN) (resid  9 and name   HN) 0.00 0  4.38
assign (resid  30 and name   HN) (resid 29 and name   HN) 0.00 0  4.83
assign (resid  36 and name   HN) (resid 35 and name   HN) 0.00 0  4.47
assign (resid  41 and name   HN) (resid 40 and name   HN) 0.00 0  4.74
assign (resid   4 and name   HN) (resid  3 and name   HN) 0.00 0  5.12
assign (resid  37 and name   HN) (resid 36 and name   HN) 0.00 0  4.38
assign (resid  38 and name   HN) (resid 37 and name   HN) 0.00 0  4.33

assign (resid  12 and name   HN) (resid 11 and name HD2#) 0.00 0  7.03
assign (resid  23 and name   HN) (resid 22 and name  HD#) 0.00 0  7.92
assign (resid  23 and name   HN) (resid 22 and name  HE#) 0.00 0  8.90
assign (resid  40 and name   HN) (resid 39 and name  HD#) 0.00 0  7.53
assign (resid  25 and name  HE#) (resid 24 and name  HE1) 0.00 0  8.43
assign (resid  25 and name  HD#) (resid 24 and name  HE1) 0.00 0  8.16

assign (resid   2 and name   HN) (resid  1 and name  HB1) 0.00 0  5.14
assign (resid   2 and name   HN) (resid  1 and name  HB2) 0.00 0  5.14
assign (resid  12 and name   HN) (resid 11 and name  HB1) 0.00 0  5.04
assign (resid  12 and name   HN) (resid 11 and name  HB2) 0.00 0  5.04
assign (resid  11 and name   HN) (resid 10 and name  HB#) 0.00 0  5.80
assign (resid  11 and name   HN) (resid 10 and name  HD#) 0.00 0  6.59
assign (resid  11 and name   HN) (resid 10 and name  HG#) 0.00 0  6.57
assign (resid  16 and name   HN) (resid 15 and name  HB#) 0.00 0  5.76
assign (resid  18 and name   HN) (resid 17 and name  HD#) 0.00 0  6.02
assign (resid  18 and name   HN) (resid 17 and name  HG#) 0.00 0  6.67
assign (resid  31 and name   HN) (resid 30 and name  HB1) 0.00 0  4.99
assign (resid  31 and name   HN) (resid 30 and name  HB2) 0.00 0  4.99
assign (resid  21 and name   HN) (resid 20 and name  HB#) 0.00 0  6.42
assign (resid  40 and name   HN) (resid 39 and name  HB#) 0.00 0  6.02
assign (resid  13 and name   HN) (resid 12 and name  HG1) 0.00 0  5.88
assign (resid  13 and name   HN) (resid 12 and name  HG2) 0.00 0  5.88
assign (resid  13 and name   HN) (resid 12 and name  HB1) 0.00 0  5.18
assign (resid  13 and name   HN) (resid 12 and name  HB2) 0.00 0  5.18

assign (resid  35 and name   HN) (resid 34 and name   HB) 0.00 0  4.66
assign (resid  24 and name  HE1) (resid 23 and name  HB#) 0.00 0  8.50


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1H        CYS   1   0.250  -0.036   0.350
    2   2H    CYS   1          3H        CYS   1   1.515  -0.556   1.312
    3   3H    CYS   1          2H        CYS   1   1.489   1.028   0.728
    4    HA   CYS   1           HA       CYS   1   2.632   0.410  -1.065
    5   1HB   CYS   1          2HB       CYS   1   3.754  -1.201   0.096
    6   2HB   CYS   1          1HB       CYS   1   2.368  -2.304   0.105
    7    H    ALA   2           H        ALA   2   1.110   1.052  -2.564
    8    HA   ALA   2           HA       ALA   2  -0.503  -1.095  -3.868
    9   1HB   ALA   2          1HB       ALA   2  -1.960   0.623  -2.682
   10   2HB   ALA   2          3HB       ALA   2  -1.173   1.888  -3.599
   11   3HB   ALA   2          2HB       ALA   2  -2.165   0.702  -4.424
   12    H    LYS   3           H        LYS   3  -0.903  -0.338  -6.214
   13    HA   LYS   3           HA       LYS   3   1.570   0.953  -7.264
   14   1HB   LYS   3          2HB       LYS   3  -0.029  -1.382  -8.393
   15   2HB   LYS   3          1HB       LYS   3   1.209  -0.547  -9.306
   16   1HG   LYS   3          2HG       LYS   3   2.842  -1.102  -7.389
   17   2HG   LYS   3          1HG       LYS   3   1.579  -2.136  -6.732
   18   1HD   LYS   3          2HD       LYS   3   1.506  -3.446  -8.835
   19   2HD   LYS   3          1HD       LYS   3   2.702  -2.380  -9.566
   20   1HE   LYS   3          2HE       LYS   3   4.370  -3.055  -7.835
   21   2HE   LYS   3          1HE       LYS   3   3.190  -4.138  -7.114
   22   1HZ   LYS   3          2HZ       LYS   3   3.346  -4.667  -9.891
   23   2HZ   LYS   3          1HZ       LYS   3   4.916  -4.677  -9.264
   24   3HZ   LYS   3          3HZ       LYS   3   3.736  -5.690  -8.601
   25    H    LYS   4           H        LYS   4   1.378   2.146  -9.056
   26    HA   LYS   4           HA       LYS   4  -0.788   3.921  -9.251
   27   1HB   LYS   4          2HB       LYS   4   1.249   3.183 -11.449
   28   2HB   LYS   4          1HB       LYS   4   0.340   4.680 -11.348
   29   1HG   LYS   4          2HG       LYS   4   1.426   5.332  -9.261
   30   2HG   LYS   4          1HG       LYS   4   2.254   3.822  -9.104
   31   1HD   LYS   4          2HD       LYS   4   2.687   5.758 -11.403
   32   2HD   LYS   4          1HD       LYS   4   3.605   5.811  -9.915
   33   1HE   LYS   4          2HE       LYS   4   4.347   3.427 -10.315
   34   2HE   LYS   4          1HE       LYS   4   3.531   3.477 -11.876
   35   1HZ   LYS   4          3HZ       LYS   4   5.119   5.775 -11.588
   36   2HZ   LYS   4          2HZ       LYS   4   6.094   4.468 -11.222
   37   3HZ   LYS   4          1HZ       LYS   4   5.298   4.525 -12.739
   38    H    ARG   5           H        ARG   5  -2.755   3.554 -10.022
   39    HA   ARG   5           HA       ARG   5  -4.075   2.913 -12.146
   40   1HB   ARG   5          2HB       ARG   5  -2.657   1.066 -12.753
   41   2HB   ARG   5          1HB       ARG   5  -2.920   0.227 -11.226
   42   1HG   ARG   5          2HG       ARG   5  -5.006  -0.582 -11.948
   43   2HG   ARG   5          1HG       ARG   5  -5.281   0.782 -13.011
   44   1HD   ARG   5          2HD       ARG   5  -4.606  -1.522 -14.106
   45   2HD   ARG   5          1HD       ARG   5  -3.859  -0.050 -14.710
   46    HE   ARG   5           HE       ARG   5  -2.488  -1.875 -12.730
   47   1HH1  ARG   5          1HH2      ARG   5  -0.866   0.336 -12.758
   48   2HH1  ARG   5          2HH2      ARG   5   0.100   0.263 -14.173
   49   1HH2  ARG   5          2HH1      ARG   5  -2.089  -2.073 -15.688
   50   2HH2  ARG   5          1HH1      ARG   5  -0.644  -1.183 -15.984
   51    H    ASN   6           H        ASN   6  -3.600   1.260  -9.028
   52    HA   ASN   6           HA       ASN   6  -6.582   1.593  -8.426
   53   1HB   ASN   6          2HB       ASN   6  -4.345  -0.102  -7.108
   54   2HB   ASN   6          1HB       ASN   6  -5.870   0.224  -6.312
   55   1HD2  ASN   6          2HD2      ASN   6  -5.806  -2.861  -8.761
   56   2HD2  ASN   6          1HD2      ASN   6  -4.406  -2.171  -8.084
   57    H    TRP   7           H        TRP   7  -7.032   3.246  -7.163
   58    HA   TRP   7           HA       TRP   7  -4.682   4.866  -6.474
   59   1HB   TRP   7          2HB       TRP   7  -6.172   6.574  -5.880
   60   2HB   TRP   7          1HB       TRP   7  -6.604   6.030  -7.481
   61    HD1  TRP   7           HD1      TRP   7  -7.845   4.904  -4.032
   62    HE1  TRP   7           HE1      TRP   7 -10.356   5.423  -3.832
   63    HE3  TRP   7           HE3      TRP   7  -8.545   6.864  -8.595
   64    HZ2  TRP   7           HZ2      TRP   7 -12.250   6.374  -5.375
   65    HZ3  TRP   7           HZ3      TRP   7 -10.821   7.587  -9.245
   66    HH2  TRP   7           HH2      TRP   7 -12.702   7.350  -7.633
   67    H    CYS   8           H        CYS   8  -4.925   6.128  -4.535
   68    HA   CYS   8           HA       CYS   8  -5.200   4.363  -2.149
   69   1HB   CYS   8          2HB       CYS   8  -3.417   6.176  -1.415
   70   2HB   CYS   8          1HB       CYS   8  -2.982   4.821  -2.414
   71    H    GLY   9           H        GLY   9  -6.211   7.305  -3.586
   72   1HA   GLY   9          2HA       GLY   9  -8.139   8.589  -2.858
   73   2HA   GLY   9          1HA       GLY   9  -8.018   7.814  -1.283
   74    H    LYS  10           H        LYS  10  -5.699   8.021  -0.468
   75    HA   LYS  10           HA       LYS  10  -4.530  10.738  -0.646
   76   1HB   LYS  10          2HB       LYS  10  -4.458  10.743   1.889
   77   2HB   LYS  10          1HB       LYS  10  -6.127  10.701   1.316
   78   1HG   LYS  10          2HG       LYS  10  -6.149   8.186   1.558
   79   2HG   LYS  10          1HG       LYS  10  -4.477   8.211   1.928
   80   1HD   LYS  10          2HD       LYS  10  -5.543   7.841   3.853
   81   2HD   LYS  10          1HD       LYS  10  -4.758   9.423   3.920
   82   1HE   LYS  10          2HE       LYS  10  -6.910  10.538   3.825
   83   2HE   LYS  10          1HE       LYS  10  -7.743   8.991   3.648
   84   1HZ   LYS  10          2HZ       LYS  10  -5.960   8.802   5.834
   85   2HZ   LYS  10          1HZ       LYS  10  -6.825  10.207   6.055
   86   3HZ   LYS  10          3HZ       LYS  10  -7.628   8.710   5.887
   87    H    ASN  11           H        ASN  11  -2.468  10.826   0.297
   88    HA   ASN  11           HA       ASN  11  -0.900   8.590  -0.646
   89   1HB   ASN  11          2HB       ASN  11   1.036  10.017   0.314
   90   2HB   ASN  11          1HB       ASN  11   0.019  10.815  -0.877
   91   1HD2  ASN  11          2HD2      ASN  11  -0.274  12.092   2.968
   92   2HD2  ASN  11          1HD2      ASN  11   0.692  10.728   2.655
   93    H    GLU  12           H        GLU  12  -2.486   7.525   1.343
   94    HA   GLU  12           HA       GLU  12  -0.641   7.258   3.691
   95   1HB   GLU  12          2HB       GLU  12  -3.609   6.614   3.361
   96   2HB   GLU  12          1HB       GLU  12  -2.670   5.874   4.634
   97   1HG   GLU  12          2HG       GLU  12  -1.914   8.027   5.480
   98   2HG   GLU  12          1HG       GLU  12  -2.764   8.886   4.219
   99    H    ASP  13           H        ASP  13  -2.388   5.140   1.367
  100    HA   ASP  13           HA       ASP  13  -0.417   3.036   2.192
  101   1HB   ASP  13          2HB       ASP  13  -2.833   2.473   2.699
  102   2HB   ASP  13          1HB       ASP  13  -3.142   2.450   0.966
  103    H    CYS  14           H        CYS  14   1.000   4.113   0.488
  104    HA   CYS  14           HA       CYS  14   0.549   2.732  -2.151
  105   1HB   CYS  14          2HB       CYS  14   1.502   5.507  -1.495
  106   2HB   CYS  14          1HB       CYS  14   2.210   4.721  -2.874
  107    H    CYS  15           H        CYS  15   2.526   2.225  -3.293
  108    HA   CYS  15           HA       CYS  15   4.641   1.285  -1.393
  109   1HB   CYS  15          2HB       CYS  15   3.175  -0.075  -3.349
  110   2HB   CYS  15          1HB       CYS  15   4.559   0.415  -4.233
  111    H    CYS  16           H        CYS  16   5.501   3.231  -1.220
  112    HA   CYS  16           HA       CYS  16   6.047   5.288  -2.894
  113   1HB   CYS  16          2HB       CYS  16   8.230   5.467  -1.478
  114   2HB   CYS  16          1HB       CYS  16   6.667   5.656  -0.736
  115    HA   PRO  17           HA       PRO  17   7.440   6.814  -3.021
  116   1HB   PRO  17          2HB       PRO  17   8.927   8.458  -4.311
  117   2HB   PRO  17          1HB       PRO  17   9.733   7.174  -3.378
  118   1HG   PRO  17          2HG       PRO  17   9.140   7.211  -6.401
  119   2HG   PRO  17          1HG       PRO  17  10.657   6.788  -5.610
  120   1HD   PRO  17          2HD       PRO  17   8.606   4.906  -6.300
  121   2HD   PRO  17          1HD       PRO  17   9.921   4.576  -5.159
  122    H    MET  18           H        MET  18   5.395   6.827  -3.455
  123    HA   MET  18           HA       MET  18   4.442   8.226  -5.868
  124   1HB   MET  18          2HB       MET  18   3.794   5.535  -4.941
  125   2HB   MET  18          1HB       MET  18   2.355   6.506  -5.039
  126   1HG   MET  18          2HG       MET  18   2.291   6.016  -7.255
  127   2HG   MET  18          1HG       MET  18   3.666   7.062  -7.414
  128   1HE   MET  18          1HE       MET  18   2.551   3.907  -6.438
  129   2HE   MET  18          3HE       MET  18   3.697   2.691  -7.021
  130   3HE   MET  18          2HE       MET  18   4.121   3.709  -5.627
  131    H    LYS  19           H        LYS  19   2.707   9.382  -5.504
  132    HA   LYS  19           HA       LYS  19   1.911   9.747  -2.590
  133   1HB   LYS  19          2HB       LYS  19   3.489  11.553  -3.771
  134   2HB   LYS  19          1HB       LYS  19   2.048  12.049  -4.618
  135   1HG   LYS  19          2HG       LYS  19   2.195  11.916  -1.582
  136   2HG   LYS  19          1HG       LYS  19   2.691  13.336  -2.450
  137   1HD   LYS  19          2HD       LYS  19   0.404  13.589  -3.419
  138   2HD   LYS  19          1HD       LYS  19  -0.133  12.184  -2.557
  139   1HE   LYS  19          2HE       LYS  19   0.663  13.404  -0.383
  140   2HE   LYS  19          1HE       LYS  19   0.719  14.828  -1.402
  141   1HZ   LYS  19          3HZ       LYS  19  -1.759  13.573  -1.874
  142   2HZ   LYS  19          2HZ       LYS  19  -1.525  13.597  -0.207
  143   3HZ   LYS  19          1HZ       LYS  19  -1.461  15.049  -1.075
  144    H    CYS  20           H        CYS  20  -0.610  10.452  -2.484
  145    HA   CYS  20           HA       CYS  20  -1.841   9.160  -4.782
  146   1HB   CYS  20          2HB       CYS  20  -2.460   9.287  -2.214
  147   2HB   CYS  20          1HB       CYS  20  -3.476  10.614  -2.745
  148    H    ILE  21           H        ILE  21  -3.046  10.284  -6.245
  149    HA   ILE  21           HA       ILE  21  -2.664  13.191  -6.429
  150    HB   ILE  21           HB       ILE  21  -2.615  10.916  -8.449
  151   1HG1  ILE  21          2HG1      ILE  21  -0.553  11.317  -7.315
  152   2HG1  ILE  21          1HG1      ILE  21  -0.425  11.983  -8.944
  153   1HG2  ILE  21          1HG2      ILE  21  -2.560  13.838  -9.301
  154   2HG2  ILE  21          3HG2      ILE  21  -2.241  12.429 -10.296
  155   3HG2  ILE  21          2HG2      ILE  21  -3.844  12.676  -9.644
  156   1HD1  ILE  21          2HD1      ILE  21  -0.946  13.750  -6.499
  157   2HD1  ILE  21          1HD1      ILE  21   0.481  13.393  -7.292
  158   3HD1  ILE  21          3HD1      ILE  21  -0.741  14.265  -8.173
  159    H    TYR  22           H        TYR  22  -3.856  14.361  -7.844
  160    HA   TYR  22           HA       TYR  22  -6.722  13.667  -7.639
  161   1HB   TYR  22          2HB       TYR  22  -5.235  16.182  -6.848
  162   2HB   TYR  22          1HB       TYR  22  -6.981  15.986  -6.603
  163    HD1  TYR  22           HD1      TYR  22  -7.636  13.748  -5.204
  164    HD2  TYR  22           HD2      TYR  22  -3.745  15.475  -5.291
  165    HE1  TYR  22           HE1      TYR  22  -7.006  12.457  -3.258
  166    HE2  TYR  22           HE2      TYR  22  -3.103  14.182  -3.354
  167    HH   TYR  22           HH       TYR  22  -5.467  11.928  -1.890
  168    H    ALA  23           H        ALA  23  -8.133  15.023  -8.746
  169    HA   ALA  23           HA       ALA  23  -7.135  16.105 -11.341
  170   1HB   ALA  23          2HB       ALA  23  -9.572  14.311 -10.821
  171   2HB   ALA  23          1HB       ALA  23  -9.151  14.991 -12.393
  172   3HB   ALA  23          3HB       ALA  23  -8.105  13.808 -11.631
  173    H    TRP  24           H        TRP  24 -10.540  15.963 -10.600
  174    HA   TRP  24           HA       TRP  24 -10.461  18.798  -9.603
  175   1HB   TRP  24          2HB       TRP  24 -12.043  19.539 -11.211
  176   2HB   TRP  24          1HB       TRP  24 -10.948  18.553 -12.148
  177    HD1  TRP  24           HD1      TRP  24 -12.078  16.238 -13.258
  178    HE1  TRP  24           HE1      TRP  24 -14.452  15.405 -13.365
  179    HE3  TRP  24           HE3      TRP  24 -14.064  19.462  -9.989
  180    HZ2  TRP  24           HZ2      TRP  24 -16.891  16.044 -12.159
  181    HZ3  TRP  24           HZ3      TRP  24 -16.440  19.342  -9.447
  182    HH2  TRP  24           HH2      TRP  24 -17.885  17.623 -10.542
  183    H    TYR  25           H        TYR  25 -12.745  16.140 -10.112
  184    HA   TYR  25           HA       TYR  25 -14.786  16.833  -8.412
  185   1HB   TYR  25          2HB       TYR  25 -15.154  14.315  -8.114
  186   2HB   TYR  25          1HB       TYR  25 -15.090  14.902  -9.763
  187    HD1  TYR  25           HD1      TYR  25 -13.049  14.484 -11.160
  188    HD2  TYR  25           HD2      TYR  25 -13.430  12.883  -7.238
  189    HE1  TYR  25           HE1      TYR  25 -11.184  12.955 -11.598
  190    HE2  TYR  25           HE2      TYR  25 -11.564  11.359  -7.679
  191    HH   TYR  25           HH       TYR  25 -10.558  10.395 -10.265
  192    H    ASN  26           H        ASN  26 -11.768  15.391  -7.408
  193    HA   ASN  26           HA       ASN  26 -10.756  15.115  -5.312
  194   1HB   ASN  26          2HB       ASN  26 -12.854  17.255  -4.691
  195   2HB   ASN  26          1HB       ASN  26 -11.941  16.570  -3.374
  196   1HD2  ASN  26          2HD2      ASN  26 -10.089  19.137  -5.858
  197   2HD2  ASN  26          1HD2      ASN  26 -11.700  18.682  -6.188
  198    H    GLN  27           H        GLN  27 -11.506  14.612  -2.895
  199    HA   GLN  27           HA       GLN  27 -12.843  13.356  -1.347
  200   1HB   GLN  27          2HB       GLN  27 -14.150  12.001  -3.809
  201   2HB   GLN  27          1HB       GLN  27 -14.569  11.719  -2.143
  202   1HG   GLN  27          2HG       GLN  27 -15.334  14.037  -1.838
  203   2HG   GLN  27          1HG       GLN  27 -14.875  14.442  -3.481
  204   1HE2  GLN  27          2HE2      GLN  27 -18.034  13.457  -4.617
  205   2HE2  GLN  27          1HE2      GLN  27 -16.746  14.563  -4.725
  206    H    GLN  28           H        GLN  28 -11.734  12.000  -4.329
  207    HA   GLN  28           HA       GLN  28 -10.116   9.978  -2.836
  208   1HB   GLN  28          2HB       GLN  28 -11.629   9.674  -5.484
  209   2HB   GLN  28          1HB       GLN  28 -10.478   8.499  -4.885
  210   1HG   GLN  28          2HG       GLN  28 -12.903   9.419  -3.238
  211   2HG   GLN  28          1HG       GLN  28 -12.913   7.973  -4.218
  212   1HE2  GLN  28          2HE2      GLN  28 -10.993   7.927  -0.673
  213   2HE2  GLN  28          1HE2      GLN  28 -11.764   9.343  -1.214
  214    H    GLY  29           H        GLY  29  -8.408   9.076  -4.510
  215   1HA   GLY  29          2HA       GLY  29  -7.302  11.202  -6.160
  216   2HA   GLY  29          1HA       GLY  29  -6.316  10.736  -4.768
  217    H    SER  30           H        SER  30  -4.699  10.080  -6.364
  218    HA   SER  30           HA       SER  30  -5.098   7.264  -7.292
  219   1HB   SER  30          2HB       SER  30  -5.612   8.255  -9.281
  220   2HB   SER  30          1HB       SER  30  -4.444   9.582  -9.070
  221    HG   SER  30           HG       SER  30  -2.779   8.110  -9.489
  222    H    CYS  31           H        CYS  31  -3.181   5.890  -7.189
  223    HA   CYS  31           HA       CYS  31  -0.969   7.190  -5.773
  224   1HB   CYS  31          2HB       CYS  31  -1.798   4.597  -5.754
  225   2HB   CYS  31          1HB       CYS  31  -0.748   4.491  -7.119
  226    H    GLN  32           H        GLN  32   0.378   8.506  -6.902
  227    HA   GLN  32           HA       GLN  32   1.283   7.689  -9.626
  228   1HB   GLN  32          2HB       GLN  32  -0.582   9.591  -9.501
  229   2HB   GLN  32          1HB       GLN  32   0.776  10.500  -8.856
  230   1HG   GLN  32          2HG       GLN  32   0.474  10.866 -11.337
  231   2HG   GLN  32          1HG       GLN  32   2.068  10.257 -10.919
  232   1HE2  GLN  32          2HE2      GLN  32  -0.542   7.852 -12.953
  233   2HE2  GLN  32          1HE2      GLN  32  -1.121   9.249 -12.179
  234    H    THR  33           H        THR  33   3.274   8.131 -10.197
  235    HA   THR  33           HA       THR  33   4.915   8.496  -7.879
  236    HB   THR  33           HB       THR  33   6.636   8.577 -10.279
  237    HG1  THR  33           HG1      THR  33   5.179   8.004 -11.628
  238   1HG2  THR  33          3HG2      THR  33   5.674   6.396  -8.555
  239   2HG2  THR  33          2HG2      THR  33   7.127   6.362  -9.581
  240   3HG2  THR  33          1HG2      THR  33   6.990   7.516  -8.253
  241    H    THR  34           H        THR  34   3.829  10.790  -7.758
  242    HA   THR  34           HA       THR  34   5.970  12.485  -8.685
  243    HB   THR  34           HB       THR  34   4.220  12.529 -10.649
  244    HG1  THR  34           HG1      THR  34   4.381  14.659 -10.823
  245   1HG2  THR  34          3HG2      THR  34   2.398  13.586  -8.422
  246   2HG2  THR  34          2HG2      THR  34   1.924  13.366 -10.101
  247   3HG2  THR  34          1HG2      THR  34   2.293  11.972  -9.096
  248    H    ILE  35           H        ILE  35   5.397  14.788  -8.409
  249    HA   ILE  35           HA       ILE  35   5.274  16.626  -7.012
  250    HB   ILE  35           HB       ILE  35   3.008  15.213  -6.293
  251   1HG1  ILE  35          2HG1      ILE  35   3.187  17.676  -6.251
  252   2HG1  ILE  35          1HG1      ILE  35   2.336  17.077  -4.852
  253   1HG2  ILE  35          2HG2      ILE  35   4.570  15.274  -3.709
  254   2HG2  ILE  35          1HG2      ILE  35   2.848  14.985  -3.865
  255   3HG2  ILE  35          3HG2      ILE  35   3.986  13.822  -4.480
  256   1HD1  ILE  35          2HD1      ILE  35   5.283  17.938  -4.882
  257   2HD1  ILE  35          1HD1      ILE  35   3.951  18.863  -4.215
  258   3HD1  ILE  35          3HD1      ILE  35   4.426  17.352  -3.468
  259    H    THR  36           H        THR  36   5.597  13.664  -5.305
  260    HA   THR  36           HA       THR  36   8.389  14.181  -4.463
  261    HB   THR  36           HB       THR  36   7.707  13.118  -2.159
  262    HG1  THR  36           HG1      THR  36   5.148  13.880  -2.366
  263   1HG2  THR  36          2HG2      THR  36   6.352  15.815  -2.781
  264   2HG2  THR  36          1HG2      THR  36   6.693  15.173  -1.182
  265   3HG2  THR  36          3HG2      THR  36   8.003  15.621  -2.253
  266    H    GLY  37           H        GLY  37   6.347  12.277  -6.139
  267   1HA   GLY  37          2HA       GLY  37   7.342   9.736  -5.115
  268   2HA   GLY  37          1HA       GLY  37   6.335   9.953  -6.549
  269    H    LEU  38           H        LEU  38   9.449  11.085  -5.550
  270    HA   LEU  38           HA       LEU  38  10.837   9.521  -7.577
  271   1HB   LEU  38          2HB       LEU  38   9.843  11.357  -8.885
  272   2HB   LEU  38          1HB       LEU  38  10.510  12.549  -7.812
  273    HG   LEU  38           HG       LEU  38  12.288  10.581  -9.384
  274   1HD1  LEU  38          1HD1      LEU  38  10.774  11.748 -10.991
  275   2HD1  LEU  38          3HD1      LEU  38  11.256  13.307 -10.345
  276   3HD1  LEU  38          2HD1      LEU  38  12.425  12.302 -11.183
  277   1HD2  LEU  38          1HD2      LEU  38  12.832  13.443  -8.410
  278   2HD2  LEU  38          3HD2      LEU  38  13.432  11.998  -7.611
  279   3HD2  LEU  38          2HD2      LEU  38  13.977  12.395  -9.218
  280    H    PHE  39           H        PHE  39  11.191  12.508  -5.663
  281    HA   PHE  39           HA       PHE  39  13.833  11.479  -4.742
  282   1HB   PHE  39          2HB       PHE  39  14.159  13.837  -3.944
  283   2HB   PHE  39          1HB       PHE  39  13.814  13.756  -5.661
  284    HD1  PHE  39           HD1      PHE  39  12.438  14.649  -2.352
  285    HD2  PHE  39           HD2      PHE  39  11.696  14.594  -6.552
  286    HE1  PHE  39           HE1      PHE  39  10.503  16.121  -2.033
  287    HE2  PHE  39           HE2      PHE  39   9.757  16.067  -6.220
  288    HZ   PHE  39           HZ       PHE  39   9.159  16.832  -3.982
  289    H    LYS  40           H        LYS  40  11.154  10.559  -3.750
  290    HA   LYS  40           HA       LYS  40  11.499  11.182  -0.826
  291   1HB   LYS  40          2HB       LYS  40   9.293  11.668  -1.951
  292   2HB   LYS  40          1HB       LYS  40   9.084   9.987  -2.360
  293   1HG   LYS  40          2HG       LYS  40   9.144  11.137   0.493
  294   2HG   LYS  40          1HG       LYS  40   7.704  10.772  -0.425
  295   1HD   LYS  40          2HD       LYS  40   7.789   8.820   0.736
  296   2HD   LYS  40          1HD       LYS  40   8.753   8.365  -0.648
  297   1HE   LYS  40          2HE       LYS  40  10.814   9.215   0.901
  298   2HE   LYS  40          1HE       LYS  40   9.629   8.992   2.164
  299   1HZ   LYS  40          3HZ       LYS  40   9.473   6.684   0.631
  300   2HZ   LYS  40          2HZ       LYS  40  11.111   7.038   0.755
  301   3HZ   LYS  40          1HZ       LYS  40  10.207   6.821   2.143
  302    H    LYS  41           H        LYS  41  13.395   9.962  -1.523
  303    HA   LYS  41           HA       LYS  41  13.584   7.331  -2.313
  304   1HB   LYS  41          2HB       LYS  41  15.552   8.877  -1.562
  305   2HB   LYS  41          1HB       LYS  41  15.127   8.473   0.082
  306   1HG   LYS  41          2HG       LYS  41  16.670   6.796  -0.166
  307   2HG   LYS  41          1HG       LYS  41  15.349   5.923  -0.899
  308   1HD   LYS  41          2HD       LYS  41  17.261   7.680  -2.448
  309   2HD   LYS  41          1HD       LYS  41  17.501   5.954  -2.226
  310   1HE   LYS  41          2HE       LYS  41  15.357   5.494  -3.440
  311   2HE   LYS  41          1HE       LYS  41  15.076   7.229  -3.597
  312   1HZ   LYS  41          1HZ       LYS  41  17.644   6.751  -4.502
  313   2HZ   LYS  41          3HZ       LYS  41  16.651   5.590  -5.232
  314   3HZ   LYS  41          2HZ       LYS  41  16.295   7.245  -5.402
  315    H    CYS  42           H        CYS  42  12.811   5.385  -1.565
  316    HA   CYS  42           HA       CYS  42  12.086   5.247   1.310
  317   1HB   CYS  42          2HB       CYS  42  10.297   5.296  -0.943
  318   2HB   CYS  42          1HB       CYS  42  10.549   3.616  -0.619
   
  No H/Q in entry =         318
  Start of MODEL    2
    1   1H    CYS   1          1H        CYS   1   0.268  -0.870  -0.092
    2   2H    CYS   1          3H        CYS   1   1.640  -1.531   0.621
    3   3H    CYS   1          2H        CYS   1   1.420   0.148   0.520
    4    HA   CYS   1           HA       CYS   1   2.521   0.146  -1.467
    5   1HB   CYS   1          2HB       CYS   1   3.861  -1.569  -1.102
    6   2HB   CYS   1          1HB       CYS   1   2.574  -2.735  -0.807
    7    H    ALA   2           H        ALA   2   1.099   0.995  -2.862
    8    HA   ALA   2           HA       ALA   2  -0.998  -0.681  -4.173
    9   1HB   ALA   2          2HB       ALA   2  -1.791   1.421  -2.982
   10   2HB   ALA   2          1HB       ALA   2  -0.742   2.389  -3.996
   11   3HB   ALA   2          3HB       ALA   2  -2.089   1.526  -4.710
   12    H    LYS   3           H        LYS   3  -0.913  -0.571  -6.554
   13    HA   LYS   3           HA       LYS   3   1.728   0.407  -7.606
   14   1HB   LYS   3          2HB       LYS   3   0.133  -1.967  -8.638
   15   2HB   LYS   3          1HB       LYS   3   1.669  -1.416  -9.228
   16   1HG   LYS   3          2HG       LYS   3   2.244  -3.293  -7.915
   17   2HG   LYS   3          1HG       LYS   3   2.635  -1.942  -6.880
   18   1HD   LYS   3          2HD       LYS   3   0.754  -2.262  -5.463
   19   2HD   LYS   3          1HD       LYS   3  -0.104  -3.263  -6.611
   20   1HE   LYS   3          2HE       LYS   3   2.533  -4.017  -5.239
   21   2HE   LYS   3          1HE       LYS   3   0.958  -4.480  -4.614
   22   1HZ   LYS   3          1HZ       LYS   3   1.076  -5.181  -7.348
   23   2HZ   LYS   3          3HZ       LYS   3   2.488  -5.774  -6.598
   24   3HZ   LYS   3          2HZ       LYS   3   0.971  -6.225  -6.010
   25    H    LYS   4           H        LYS   4  -0.342   2.028  -7.528
   26    HA   LYS   4           HA       LYS   4  -1.475   3.603  -8.761
   27   1HB   LYS   4          2HB       LYS   4  -0.412   2.328 -11.347
   28   2HB   LYS   4          1HB       LYS   4  -0.849   4.010 -11.086
   29   1HG   LYS   4          2HG       LYS   4   1.112   4.139  -9.416
   30   2HG   LYS   4          1HG       LYS   4   1.614   2.576 -10.044
   31   1HD   LYS   4          2HD       LYS   4   1.511   3.664 -12.401
   32   2HD   LYS   4          1HD       LYS   4   1.375   5.202 -11.556
   33   1HE   LYS   4          2HE       LYS   4   3.542   4.618 -10.323
   34   2HE   LYS   4          1HE       LYS   4   3.688   3.198 -11.341
   35   1HZ   LYS   4          1HZ       LYS   4   3.278   5.523 -12.945
   36   2HZ   LYS   4          3HZ       LYS   4   4.555   5.753 -11.834
   37   3HZ   LYS   4          2HZ       LYS   4   4.591   4.451 -12.942
   38    H    ARG   5           H        ARG   5  -3.086   3.510 -10.911
   39    HA   ARG   5           HA       ARG   5  -4.994   2.684 -11.961
   40   1HB   ARG   5          2HB       ARG   5  -3.871  -0.057 -11.071
   41   2HB   ARG   5          1HB       ARG   5  -5.406   0.121 -11.893
   42   1HG   ARG   5          2HG       ARG   5  -4.210   1.398 -13.734
   43   2HG   ARG   5          1HG       ARG   5  -2.687   1.027 -12.940
   44   1HD   ARG   5          2HD       ARG   5  -2.997  -1.360 -13.293
   45   2HD   ARG   5          1HD       ARG   5  -4.666  -1.134 -13.815
   46    HE   ARG   5           HE       ARG   5  -2.296  -0.105 -15.365
   47   1HH1  ARG   5          2HH1      ARG   5  -4.624   1.084 -16.366
   48   2HH1  ARG   5          1HH1      ARG   5  -5.290  -0.010 -17.515
   49   1HH2  ARG   5          1HH2      ARG   5  -3.372  -2.667 -16.110
   50   2HH2  ARG   5          2HH2      ARG   5  -4.523  -2.348 -17.356
   51    H    ASN   6           H        ASN   6  -4.420   0.859  -8.997
   52    HA   ASN   6           HA       ASN   6  -7.151   1.636  -7.964
   53   1HB   ASN   6          2HB       ASN   6  -5.583  -0.841  -7.769
   54   2HB   ASN   6          1HB       ASN   6  -5.474  -0.068  -6.199
   55   1HD2  ASN   6          2HD2      ASN   6  -8.661  -2.181  -6.556
   56   2HD2  ASN   6          1HD2      ASN   6  -7.053  -2.541  -6.975
   57    H    TRP   7           H        TRP   7  -6.988   2.724  -5.850
   58    HA   TRP   7           HA       TRP   7  -4.349   4.119  -5.769
   59   1HB   TRP   7          2HB       TRP   7  -5.582   6.064  -4.971
   60   2HB   TRP   7          1HB       TRP   7  -6.058   5.444  -6.556
   61    HD1  TRP   7           HD1      TRP   7  -7.411   4.427  -3.105
   62    HE1  TRP   7           HE1      TRP   7  -9.880   4.922  -3.054
   63    HE3  TRP   7           HE3      TRP   7  -7.838   6.388  -7.692
   64    HZ2  TRP   7           HZ2      TRP   7 -11.762   5.933  -4.747
   65    HZ3  TRP   7           HZ3      TRP   7 -10.059   7.129  -8.493
   66    HH2  TRP   7           HH2      TRP   7 -12.035   6.903  -7.005
   67    H    CYS   8           H        CYS   8  -4.149   5.461  -4.103
   68    HA   CYS   8           HA       CYS   8  -3.611   3.980  -1.608
   69   1HB   CYS   8          2HB       CYS   8  -2.617   6.455  -1.232
   70   2HB   CYS   8          1HB       CYS   8  -1.817   5.319  -2.276
   71    H    GLY   9           H        GLY   9  -5.184   6.768  -2.816
   72   1HA   GLY   9          2HA       GLY   9  -7.530   7.348  -2.310
   73   2HA   GLY   9          1HA       GLY   9  -7.248   6.817  -0.630
   74    H    LYS  10           H        LYS  10  -4.880   7.621  -0.197
   75    HA   LYS  10           HA       LYS  10  -4.143  10.344  -0.661
   76   1HB   LYS  10          2HB       LYS  10  -4.314  10.836   1.857
   77   2HB   LYS  10          1HB       LYS  10  -5.859  10.716   1.016
   78   1HG   LYS  10          2HG       LYS  10  -5.916   8.197   1.851
   79   2HG   LYS  10          1HG       LYS  10  -4.371   8.428   2.503
   80   1HD   LYS  10          2HD       LYS  10  -5.560   8.558   4.444
   81   2HD   LYS  10          1HD       LYS  10  -5.425  10.241   4.080
   82   1HE   LYS  10          2HE       LYS  10  -7.814   8.368   3.615
   83   2HE   LYS  10          1HE       LYS  10  -7.756   9.774   4.676
   84   1HZ   LYS  10          2HZ       LYS  10  -6.934  10.614   2.233
   85   2HZ   LYS  10          1HZ       LYS  10  -8.323   9.701   1.881
   86   3HZ   LYS  10          3HZ       LYS  10  -8.409  11.033   2.941
   87    H    ASN  11           H        ASN  11  -2.188  10.665   0.418
   88    HA   ASN  11           HA       ASN  11  -0.176   9.048  -0.140
   89   1HB   ASN  11          2HB       ASN  11  -0.265  11.256   1.273
   90   2HB   ASN  11          1HB       ASN  11  -0.169  10.190   2.664
   91   1HD2  ASN  11          2HD2      ASN  11   3.156   9.094   1.018
   92   2HD2  ASN  11          1HD2      ASN  11   1.683   8.273   0.950
   93    H    GLU  12           H        GLU  12  -2.262   8.239   2.563
   94    HA   GLU  12           HA       GLU  12  -1.060   6.501   4.143
   95   1HB   GLU  12          2HB       GLU  12  -3.687   6.438   2.739
   96   2HB   GLU  12          1HB       GLU  12  -3.259   5.010   3.646
   97   1HG   GLU  12          2HG       GLU  12  -4.511   6.859   4.993
   98   2HG   GLU  12          1HG       GLU  12  -3.091   6.156   5.704
   99    H    ASP  13           H        ASP  13  -2.137   5.025   1.020
  100    HA   ASP  13           HA       ASP  13   0.085   3.072   1.520
  101   1HB   ASP  13          2HB       ASP  13  -2.016   1.981   2.169
  102   2HB   ASP  13          1HB       ASP  13  -2.634   2.194   0.533
  103    H    CYS  14           H        CYS  14   1.522   3.261   0.071
  104    HA   CYS  14           HA       CYS  14   0.883   2.707  -2.726
  105   1HB   CYS  14          2HB       CYS  14   2.103   5.251  -1.672
  106   2HB   CYS  14          1HB       CYS  14   2.663   4.608  -3.191
  107    H    CYS  15           H        CYS  15   2.597   2.050  -3.932
  108    HA   CYS  15           HA       CYS  15   4.757   0.755  -2.299
  109   1HB   CYS  15          2HB       CYS  15   3.063  -0.211  -4.337
  110   2HB   CYS  15          1HB       CYS  15   4.482   0.196  -5.222
  111    H    CYS  16           H        CYS  16   5.620   2.748  -1.980
  112    HA   CYS  16           HA       CYS  16   6.144   4.844  -3.577
  113   1HB   CYS  16          2HB       CYS  16   8.232   5.121  -2.196
  114   2HB   CYS  16          1HB       CYS  16   6.733   4.893  -1.336
  115    HA   PRO  17           HA       PRO  17   7.622   6.412  -3.575
  116   1HB   PRO  17          2HB       PRO  17   8.743   8.174  -5.053
  117   2HB   PRO  17          1HB       PRO  17   9.760   6.944  -4.248
  118   1HG   PRO  17          2HG       PRO  17   8.677   6.903  -7.147
  119   2HG   PRO  17          1HG       PRO  17  10.355   6.717  -6.644
  120   1HD   PRO  17          2HD       PRO  17   8.632   4.526  -7.007
  121   2HD   PRO  17          1HD       PRO  17  10.007   4.471  -5.897
  122    H    MET  18           H        MET  18   5.434   6.374  -3.671
  123    HA   MET  18           HA       MET  18   4.266   7.759  -6.026
  124   1HB   MET  18          2HB       MET  18   3.689   5.112  -5.147
  125   2HB   MET  18          1HB       MET  18   2.403   6.111  -4.527
  126   1HG   MET  18          2HG       MET  18   1.555   5.546  -6.560
  127   2HG   MET  18          1HG       MET  18   2.187   7.122  -6.744
  128   1HE   MET  18          2HE       MET  18   2.594   3.652  -6.668
  129   2HE   MET  18          1HE       MET  18   3.439   3.083  -8.077
  130   3HE   MET  18          3HE       MET  18   4.358   3.714  -6.696
  131    H    LYS  19           H        LYS  19   2.758   9.211  -5.551
  132    HA   LYS  19           HA       LYS  19   2.299   9.720  -2.582
  133   1HB   LYS  19          2HB       LYS  19   3.734  11.549  -3.647
  134   2HB   LYS  19          1HB       LYS  19   2.514  11.757  -4.876
  135   1HG   LYS  19          2HG       LYS  19   2.190  13.548  -3.265
  136   2HG   LYS  19          1HG       LYS  19   0.849  12.475  -3.096
  137   1HD   LYS  19          2HD       LYS  19   1.902  11.534  -1.009
  138   2HD   LYS  19          1HD       LYS  19   3.305  12.560  -1.260
  139   1HE   LYS  19          2HE       LYS  19   1.878  14.621  -1.074
  140   2HE   LYS  19          1HE       LYS  19   0.442  13.631  -0.876
  141   1HZ   LYS  19          2HZ       LYS  19   2.314  12.862   1.090
  142   2HZ   LYS  19          1HZ       LYS  19   2.178  14.550   1.125
  143   3HZ   LYS  19          3HZ       LYS  19   0.806  13.562   1.307
  144    H    CYS  20           H        CYS  20  -0.112  10.607  -2.335
  145    HA   CYS  20           HA       CYS  20  -1.542   9.172  -4.402
  146   1HB   CYS  20          2HB       CYS  20  -1.916   9.390  -1.793
  147   2HB   CYS  20          1HB       CYS  20  -2.901  10.769  -2.273
  148    H    ILE  21           H        ILE  21  -2.373  10.300  -6.173
  149    HA   ILE  21           HA       ILE  21  -2.090  13.246  -6.225
  150    HB   ILE  21           HB       ILE  21  -2.728  11.326  -8.533
  151   1HG1  ILE  21          2HG1      ILE  21  -0.499  10.683  -7.837
  152   2HG1  ILE  21          1HG1      ILE  21  -0.324  11.726  -9.257
  153   1HG2  ILE  21          2HG2      ILE  21  -1.758  14.189  -8.627
  154   2HG2  ILE  21          1HG2      ILE  21  -1.883  13.110 -10.000
  155   3HG2  ILE  21          3HG2      ILE  21  -3.328  13.569  -9.157
  156   1HD1  ILE  21          2HD1      ILE  21   0.217  13.611  -7.677
  157   2HD1  ILE  21          1HD1      ILE  21   0.077  12.386  -6.409
  158   3HD1  ILE  21          3HD1      ILE  21   1.342  12.254  -7.587
  159    H    TYR  22           H        TYR  22  -3.831  14.297  -7.509
  160    HA   TYR  22           HA       TYR  22  -6.496  13.155  -6.845
  161   1HB   TYR  22          2HB       TYR  22  -5.280  15.859  -6.168
  162   2HB   TYR  22          1HB       TYR  22  -7.015  15.542  -6.016
  163    HD1  TYR  22           HD1      TYR  22  -7.735  13.567  -4.599
  164    HD2  TYR  22           HD2      TYR  22  -3.727  14.977  -4.555
  165    HE1  TYR  22           HE1      TYR  22  -7.320  12.295  -2.538
  166    HE2  TYR  22           HE2      TYR  22  -3.322  13.696  -2.496
  167    HH   TYR  22           HH       TYR  22  -5.606  12.724  -0.554
  168    H    ALA  23           H        ALA  23  -5.213  15.980  -8.455
  169    HA   ALA  23           HA       ALA  23  -5.276  16.448 -10.835
  170   1HB   ALA  23          1HB       ALA  23  -6.682  14.314 -11.414
  171   2HB   ALA  23          3HB       ALA  23  -8.094  15.108 -10.756
  172   3HB   ALA  23          2HB       ALA  23  -7.310  15.744 -12.198
  173    H    TRP  24           H        TRP  24  -8.312  17.177 -11.259
  174    HA   TRP  24           HA       TRP  24  -8.260  19.614  -9.513
  175   1HB   TRP  24          2HB       TRP  24  -9.805  20.570 -11.197
  176   2HB   TRP  24          1HB       TRP  24  -8.438  19.895 -12.071
  177    HD1  TRP  24           HD1      TRP  24  -9.062  17.746 -13.751
  178    HE1  TRP  24           HE1      TRP  24 -11.215  16.593 -14.323
  179    HE3  TRP  24           HE3      TRP  24 -11.923  19.935 -10.277
  180    HZ2  TRP  24           HZ2      TRP  24 -13.859  16.607 -13.364
  181    HZ3  TRP  24           HZ3      TRP  24 -14.258  19.360 -10.085
  182    HH2  TRP  24           HH2      TRP  24 -15.273  17.676 -11.647
  183    H    TYR  25           H        TYR  25  -9.919  16.744 -10.282
  184    HA   TYR  25           HA       TYR  25 -12.450  16.972  -9.260
  185   1HB   TYR  25          2HB       TYR  25 -10.651  14.790  -9.865
  186   2HB   TYR  25          1HB       TYR  25 -11.370  14.431  -8.323
  187    HD1  TYR  25           HD1      TYR  25 -13.930  14.387  -8.123
  188    HD2  TYR  25           HD2      TYR  25 -11.936  14.700 -11.874
  189    HE1  TYR  25           HE1      TYR  25 -15.983  13.729  -9.273
  190    HE2  TYR  25           HE2      TYR  25 -13.964  14.038 -13.014
  191    HH   TYR  25           HH       TYR  25 -16.199  13.662 -12.801
  192    H    ASN  26           H        ASN  26 -13.392  16.156  -7.258
  193    HA   ASN  26           HA       ASN  26 -11.763  16.820  -4.821
  194   1HB   ASN  26          2HB       ASN  26 -14.609  17.613  -5.562
  195   2HB   ASN  26          1HB       ASN  26 -14.061  17.649  -3.904
  196   1HD2  ASN  26          2HD2      ASN  26 -11.594  20.160  -5.770
  197   2HD2  ASN  26          1HD2      ASN  26 -11.385  18.485  -5.888
  198    H    GLN  27           H        GLN  27 -11.925  14.159  -5.730
  199    HA   GLN  27           HA       GLN  27 -13.327  13.036  -3.402
  200   1HB   GLN  27          2HB       GLN  27 -14.856  13.134  -5.601
  201   2HB   GLN  27          1HB       GLN  27 -13.897  11.753  -6.090
  202   1HG   GLN  27          2HG       GLN  27 -15.703  10.727  -5.010
  203   2HG   GLN  27          1HG       GLN  27 -14.535  10.785  -3.705
  204   1HE2  GLN  27          2HE2      GLN  27 -16.763  12.762  -1.774
  205   2HE2  GLN  27          1HE2      GLN  27 -15.461  11.669  -1.754
  206    H    GLN  28           H        GLN  28 -12.202  11.381  -2.594
  207    HA   GLN  28           HA       GLN  28 -10.391   9.937  -2.247
  208   1HB   GLN  28          2HB       GLN  28 -11.064   9.161  -5.111
  209   2HB   GLN  28          1HB       GLN  28 -10.313   8.129  -3.915
  210   1HG   GLN  28          2HG       GLN  28 -12.337   7.586  -2.954
  211   2HG   GLN  28          1HG       GLN  28 -12.881   9.250  -2.909
  212   1HE2  GLN  28          2HE2      GLN  28 -14.480   6.953  -5.660
  213   2HE2  GLN  28          1HE2      GLN  28 -13.788   6.378  -4.216
  214    H    GLY  29           H        GLY  29  -8.390   8.837  -3.827
  215   1HA   GLY  29          2HA       GLY  29  -7.033  11.035  -5.279
  216   2HA   GLY  29          1HA       GLY  29  -6.244  10.476  -3.786
  217    H    SER  30           H        SER  30  -4.968  10.016  -6.346
  218    HA   SER  30           HA       SER  30  -5.314   7.090  -6.552
  219   1HB   SER  30          2HB       SER  30  -4.465   7.337  -8.943
  220   2HB   SER  30          1HB       SER  30  -5.941   8.284  -8.714
  221    HG   SER  30           HG       SER  30  -3.933   9.340  -9.668
  222    H    CYS  31           H        CYS  31  -3.228   5.956  -7.280
  223    HA   CYS  31           HA       CYS  31  -1.080   7.127  -5.564
  224   1HB   CYS  31          2HB       CYS  31  -2.041   4.709  -5.264
  225   2HB   CYS  31          1HB       CYS  31  -1.309   4.359  -6.774
  226    H    GLN  32           H        GLN  32   0.239   8.494  -6.923
  227    HA   GLN  32           HA       GLN  32   1.172   7.120  -9.410
  228   1HB   GLN  32          2HB       GLN  32   0.685  10.074  -9.591
  229   2HB   GLN  32          1HB       GLN  32   0.699   8.880 -10.841
  230   1HG   GLN  32          2HG       GLN  32  -1.583   8.217  -9.159
  231   2HG   GLN  32          1HG       GLN  32  -1.628   9.903  -9.363
  232   1HE2  GLN  32          2HE2      GLN  32  -1.775   8.810 -13.094
  233   2HE2  GLN  32          1HE2      GLN  32  -0.298   8.949 -12.264
  234    H    THR  33           H        THR  33   3.143   7.821 -10.311
  235    HA   THR  33           HA       THR  33   4.816   8.584  -8.120
  236    HB   THR  33           HB       THR  33   6.474   8.525 -10.498
  237    HG1  THR  33           HG1      THR  33   5.323   7.743 -11.899
  238   1HG2  THR  33          3HG2      THR  33   5.658   6.349  -8.674
  239   2HG2  THR  33          2HG2      THR  33   7.057   6.358  -9.789
  240   3HG2  THR  33          1HG2      THR  33   6.935   7.564  -8.513
  241    H    THR  34           H        THR  34   3.493  10.709  -8.200
  242    HA   THR  34           HA       THR  34   5.551  12.449  -9.044
  243    HB   THR  34           HB       THR  34   4.143  12.216 -11.220
  244    HG1  THR  34           HG1      THR  34   4.356  14.301 -11.531
  245   1HG2  THR  34          3HG2      THR  34   2.024  11.708  -9.944
  246   2HG2  THR  34          2HG2      THR  34   1.940  13.390  -9.451
  247   3HG2  THR  34          1HG2      THR  34   1.781  12.964 -11.146
  248    H    ILE  35           H        ILE  35   4.873  14.741  -8.935
  249    HA   ILE  35           HA       ILE  35   4.396  16.583  -7.613
  250    HB   ILE  35           HB       ILE  35   2.086  15.029  -7.335
  251   1HG1  ILE  35          2HG1      ILE  35   2.108  17.487  -7.461
  252   2HG1  ILE  35          1HG1      ILE  35   1.039  16.954  -6.188
  253   1HG2  ILE  35          3HG2      ILE  35   3.090  15.361  -4.491
  254   2HG2  ILE  35          2HG2      ILE  35   1.474  14.851  -4.986
  255   3HG2  ILE  35          1HG2      ILE  35   2.845  13.840  -5.304
  256   1HD1  ILE  35          3HD1      ILE  35   3.889  18.004  -5.780
  257   2HD1  ILE  35          2HD1      ILE  35   2.405  18.877  -5.447
  258   3HD1  ILE  35          1HD1      ILE  35   2.827  17.477  -4.487
  259    H    THR  36           H        THR  36   4.604  13.563  -5.827
  260    HA   THR  36           HA       THR  36   7.127  14.358  -4.517
  261    HB   THR  36           HB       THR  36   4.709  13.339  -2.880
  262    HG1  THR  36           HG1      THR  36   5.490  15.839  -3.787
  263   1HG2  THR  36          1HG2      THR  36   7.306  14.751  -2.077
  264   2HG2  THR  36          3HG2      THR  36   6.093  14.135  -0.972
  265   3HG2  THR  36          2HG2      THR  36   7.075  13.019  -1.910
  266    H    GLY  37           H        GLY  37   6.455  12.667  -6.642
  267   1HA   GLY  37          2HA       GLY  37   6.847   9.925  -5.479
  268   2HA   GLY  37          1HA       GLY  37   6.062  10.249  -7.030
  269    H    LEU  38           H        LEU  38   8.772  11.931  -5.951
  270    HA   LEU  38           HA       LEU  38  10.619  10.324  -7.647
  271   1HB   LEU  38          2HB       LEU  38   9.583  12.030  -9.056
  272   2HB   LEU  38          1HB       LEU  38   9.923  13.277  -7.917
  273    HG   LEU  38           HG       LEU  38  11.444  13.299  -9.966
  274   1HD1  LEU  38          3HD1      LEU  38  12.551  14.073  -7.864
  275   2HD1  LEU  38          2HD1      LEU  38  13.107  12.434  -7.552
  276   3HD1  LEU  38          1HD1      LEU  38  13.671  13.295  -8.958
  277   1HD2  LEU  38          2HD2      LEU  38  11.314  10.867 -10.447
  278   2HD2  LEU  38          1HD2      LEU  38  12.982  11.403 -10.392
  279   3HD2  LEU  38          3HD2      LEU  38  12.305  10.524  -9.039
  280    H    PHE  39           H        PHE  39  10.527  13.374  -5.845
  281    HA   PHE  39           HA       PHE  39  13.026  12.599  -4.409
  282   1HB   PHE  39          2HB       PHE  39  12.950  15.014  -3.645
  283   2HB   PHE  39          1HB       PHE  39  12.870  14.920  -5.393
  284    HD1  PHE  39           HD2      PHE  39  10.680  15.305  -6.565
  285    HD2  PHE  39           HD1      PHE  39  11.046  15.806  -2.345
  286    HE1  PHE  39           HE2      PHE  39   8.543  16.509  -6.509
  287    HE2  PHE  39           HE1      PHE  39   8.923  17.017  -2.306
  288    HZ   PHE  39           HZ       PHE  39   7.668  17.374  -4.393
  289    H    LYS  40           H        LYS  40  11.206  10.935  -3.921
  290    HA   LYS  40           HA       LYS  40   9.530  11.682  -1.628
  291   1HB   LYS  40          2HB       LYS  40   8.470  10.268  -3.277
  292   2HB   LYS  40          1HB       LYS  40   9.809   9.140  -3.264
  293   1HG   LYS  40          2HG       LYS  40   7.870   8.242  -2.040
  294   2HG   LYS  40          1HG       LYS  40   9.252   8.397  -0.996
  295   1HD   LYS  40          2HD       LYS  40   8.157  10.774  -0.355
  296   2HD   LYS  40          1HD       LYS  40   6.731  10.106  -1.119
  297   1HE   LYS  40          2HE       LYS  40   6.679   9.659   1.289
  298   2HE   LYS  40          1HE       LYS  40   6.832   8.140   0.417
  299   1HZ   LYS  40          2HZ       LYS  40   9.441   9.201   0.992
  300   2HZ   LYS  40          1HZ       LYS  40   8.557   9.098   2.401
  301   3HZ   LYS  40          3HZ       LYS  40   8.767   7.726   1.448
  302    H    LYS  41           H        LYS  41  12.381   9.672  -2.108
  303    HA   LYS  41           HA       LYS  41  13.732   8.558  -0.543
  304   1HB   LYS  41          2HB       LYS  41  12.663  10.802   1.258
  305   2HB   LYS  41          1HB       LYS  41  14.013   9.766   1.663
  306   1HG   LYS  41          2HG       LYS  41  15.266  10.590  -0.352
  307   2HG   LYS  41          1HG       LYS  41  13.891  11.567  -0.807
  308   1HD   LYS  41          2HD       LYS  41  15.477  13.043   0.215
  309   2HD   LYS  41          1HD       LYS  41  14.127  12.880   1.316
  310   1HE   LYS  41          2HE       LYS  41  15.452  11.279   2.728
  311   2HE   LYS  41          1HE       LYS  41  16.787  11.367   1.587
  312   1HZ   LYS  41          1HZ       LYS  41  16.078  13.985   2.310
  313   2HZ   LYS  41          3HZ       LYS  41  16.239  13.098   3.744
  314   3HZ   LYS  41          2HZ       LYS  41  17.529  13.178   2.652
  315    H    CYS  42           H        CYS  42  12.276   6.731  -0.686
  316    HA   CYS  42           HA       CYS  42  10.881   6.083   1.859
  317   1HB   CYS  42          2HB       CYS  42   9.237   6.284  -0.288
  318   2HB   CYS  42          1HB       CYS  42  10.165   4.968  -0.925
   
  No H/Q in entry =         318
  Start of MODEL    3
    1   1H    CYS   1          1H        CYS   1  -0.414   0.185  -0.603
    2   2H    CYS   1          3H        CYS   1   0.664  -0.681   0.339
    3   3H    CYS   1          2H        CYS   1   0.891   0.933   0.076
    4    HA   CYS   1           HA       CYS   1   2.094   0.643  -1.709
    5   1HB   CYS   1          2HB       CYS   1   3.034  -1.208  -0.707
    6   2HB   CYS   1          1HB       CYS   1   1.594  -2.190  -0.944
    7    H    ALA   2           H        ALA   2   0.114   1.614  -2.834
    8    HA   ALA   2           HA       ALA   2  -1.498  -0.222  -4.472
    9   1HB   ALA   2          2HB       ALA   2  -1.214   2.825  -4.495
   10   2HB   ALA   2          1HB       ALA   2  -2.419   1.950  -5.436
   11   3HB   ALA   2          3HB       ALA   2  -2.471   1.916  -3.687
   12    H    LYS   3           H        LYS   3  -1.333  -0.109  -6.881
   13    HA   LYS   3           HA       LYS   3   1.446   0.561  -7.818
   14   1HB   LYS   3          2HB       LYS   3   0.577  -2.007  -7.351
   15   2HB   LYS   3          1HB       LYS   3  -0.076  -1.777  -8.943
   16   1HG   LYS   3          2HG       LYS   3   2.036  -2.840  -9.252
   17   2HG   LYS   3          1HG       LYS   3   2.165  -1.207  -9.830
   18   1HD   LYS   3          2HD       LYS   3   4.178  -1.872  -8.573
   19   2HD   LYS   3          1HD       LYS   3   3.416  -0.544  -7.753
   20   1HE   LYS   3          2HE       LYS   3   2.818  -3.429  -6.930
   21   2HE   LYS   3          1HE       LYS   3   4.271  -2.633  -6.367
   22   1HZ   LYS   3          3HZ       LYS   3   2.136  -0.864  -5.858
   23   2HZ   LYS   3          2HZ       LYS   3   1.681  -2.386  -5.274
   24   3HZ   LYS   3          1HZ       LYS   3   3.121  -1.725  -4.780
   25    H    LYS   4           H        LYS   4  -0.512   2.273  -7.960
   26    HA   LYS   4           HA       LYS   4  -1.487   3.831  -9.333
   27   1HB   LYS   4          2HB       LYS   4  -0.373   2.120 -11.673
   28   2HB   LYS   4          1HB       LYS   4  -1.183   3.642 -11.875
   29   1HG   LYS   4          2HG       LYS   4   1.112   4.105 -12.098
   30   2HG   LYS   4          1HG       LYS   4   0.620   4.775 -10.568
   31   1HD   LYS   4          2HD       LYS   4   1.577   2.829  -9.371
   32   2HD   LYS   4          1HD       LYS   4   2.018   2.084 -10.905
   33   1HE   LYS   4          2HE       LYS   4   3.523   4.074 -11.370
   34   2HE   LYS   4          1HE       LYS   4   3.067   4.777  -9.831
   35   1HZ   LYS   4          1HZ       LYS   4   3.952   2.109  -9.408
   36   2HZ   LYS   4          3HZ       LYS   4   5.108   2.938 -10.318
   37   3HZ   LYS   4          2HZ       LYS   4   4.614   3.550  -8.822
   38    H    ARG   5           H        ARG   5  -3.258   3.597 -11.429
   39    HA   ARG   5           HA       ARG   5  -5.233   2.694 -12.277
   40   1HB   ARG   5          2HB       ARG   5  -3.786   0.683 -12.730
   41   2HB   ARG   5          1HB       ARG   5  -4.232   0.026 -11.170
   42   1HG   ARG   5          2HG       ARG   5  -6.621   0.015 -11.832
   43   2HG   ARG   5          1HG       ARG   5  -6.190   0.651 -13.409
   44   1HD   ARG   5          2HD       ARG   5  -4.622  -1.404 -13.669
   45   2HD   ARG   5          1HD       ARG   5  -5.350  -2.030 -12.195
   46    HE   ARG   5           HE       ARG   5  -7.554  -2.036 -13.388
   47   1HH1  ARG   5          2HH1      ARG   5  -6.599  -0.246 -15.487
   48   2HH1  ARG   5          1HH1      ARG   5  -6.365  -1.241 -16.877
   49   1HH2  ARG   5          1HH2      ARG   5  -6.432  -4.130 -14.757
   50   2HH2  ARG   5          2HH2      ARG   5  -6.269  -3.677 -16.409
   51    H    ASN   6           H        ASN   6  -4.575   1.179  -9.210
   52    HA   ASN   6           HA       ASN   6  -7.327   1.790  -8.145
   53   1HB   ASN   6          2HB       ASN   6  -5.898  -0.758  -8.352
   54   2HB   ASN   6          1HB       ASN   6  -5.704  -0.245  -6.688
   55   1HD2  ASN   6          2HD2      ASN   6  -8.987  -1.320  -5.909
   56   2HD2  ASN   6          1HD2      ASN   6  -7.436  -0.951  -5.336
   57    H    TRP   7           H        TRP   7  -7.144   3.006  -6.313
   58    HA   TRP   7           HA       TRP   7  -4.399   4.004  -5.829
   59   1HB   TRP   7          2HB       TRP   7  -5.515   6.053  -5.138
   60   2HB   TRP   7          1HB       TRP   7  -5.982   5.618  -6.777
   61    HD1  TRP   7           HD1      TRP   7  -7.403   4.665  -3.327
   62    HE1  TRP   7           HE1      TRP   7  -9.817   5.187  -3.197
   63    HE3  TRP   7           HE3      TRP   7  -8.044   6.501  -8.018
   64    HZ2  TRP   7           HZ2      TRP   7 -11.735   6.138  -4.759
   65    HZ3  TRP   7           HZ3      TRP   7 -10.331   7.208  -8.663
   66    HH2  TRP   7           HH2      TRP   7 -12.189   7.029  -7.034
   67    H    CYS   8           H        CYS   8  -4.349   5.298  -3.886
   68    HA   CYS   8           HA       CYS   8  -4.982   3.644  -1.483
   69   1HB   CYS   8          2HB       CYS   8  -2.827   4.956  -0.695
   70   2HB   CYS   8          1HB       CYS   8  -2.677   3.516  -1.663
   71    H    GLY   9           H        GLY   9  -6.015   6.188  -3.034
   72   1HA   GLY   9          2HA       GLY   9  -7.386   7.976  -2.443
   73   2HA   GLY   9          1HA       GLY   9  -7.310   7.456  -0.785
   74    H    LYS  10           H        LYS  10  -4.880   7.799   0.190
   75    HA   LYS  10           HA       LYS  10  -3.946  10.446  -0.626
   76   1HB   LYS  10          2HB       LYS  10  -3.993  11.164   1.758
   77   2HB   LYS  10          1HB       LYS  10  -5.603  10.597   1.302
   78   1HG   LYS  10          2HG       LYS  10  -5.087   8.338   2.353
   79   2HG   LYS  10          1HG       LYS  10  -3.472   8.889   2.646
   80   1HD   LYS  10          2HD       LYS  10  -4.429   8.956   4.740
   81   2HD   LYS  10          1HD       LYS  10  -4.403  10.629   4.267
   82   1HE   LYS  10          2HE       LYS  10  -6.797   8.719   4.064
   83   2HE   LYS  10          1HE       LYS  10  -6.558   9.899   5.341
   84   1HZ   LYS  10          1HZ       LYS  10  -6.243  11.203   2.897
   85   2HZ   LYS  10          3HZ       LYS  10  -7.684  10.313   2.793
   86   3HZ   LYS  10          2HZ       LYS  10  -7.482  11.454   4.034
   87    H    ASN  11           H        ASN  11  -1.796  10.589  -0.015
   88    HA   ASN  11           HA       ASN  11  -0.066   8.780  -0.736
   89   1HB   ASN  11          2HB       ASN  11   0.599  11.013   0.330
   90   2HB   ASN  11          1HB       ASN  11   0.274  10.329   1.901
   91   1HD2  ASN  11          2HD2      ASN  11   3.415   8.758   2.123
   92   2HD2  ASN  11          1HD2      ASN  11   1.921   9.045   2.873
   93    H    GLU  12           H        GLU  12  -1.615   8.535   2.254
   94    HA   GLU  12           HA       GLU  12  -0.691   7.053   4.124
   95   1HB   GLU  12          2HB       GLU  12  -3.012   7.435   3.833
   96   2HB   GLU  12          1HB       GLU  12  -3.167   6.327   2.485
   97   1HG   GLU  12          2HG       GLU  12  -2.815   4.457   4.106
   98   2HG   GLU  12          1HG       GLU  12  -2.575   5.614   5.408
   99    H    ASP  13           H        ASP  13  -1.792   4.896   1.533
  100    HA   ASP  13           HA       ASP  13   0.670   3.271   2.078
  101   1HB   ASP  13          2HB       ASP  13  -1.265   2.269   3.196
  102   2HB   ASP  13          1HB       ASP  13  -2.189   2.273   1.698
  103    H    CYS  14           H        CYS  14   1.086   4.859   0.005
  104    HA   CYS  14           HA       CYS  14   0.330   3.359  -2.488
  105   1HB   CYS  14          2HB       CYS  14   0.320   5.879  -2.485
  106   2HB   CYS  14          1HB       CYS  14   1.980   5.895  -2.006
  107    H    CYS  15           H        CYS  15   1.931   2.459  -3.886
  108    HA   CYS  15           HA       CYS  15   4.151   1.397  -2.206
  109   1HB   CYS  15          2HB       CYS  15   2.533   0.201  -3.982
  110   2HB   CYS  15          1HB       CYS  15   3.778   0.675  -5.062
  111    H    CYS  16           H        CYS  16   5.142   3.247  -1.987
  112    HA   CYS  16           HA       CYS  16   5.990   5.201  -3.629
  113   1HB   CYS  16          2HB       CYS  16   7.419   3.742  -1.473
  114   2HB   CYS  16          1HB       CYS  16   8.115   5.164  -2.161
  115    HA   PRO  17           HA       PRO  17   7.577   6.530  -3.603
  116   1HB   PRO  17          2HB       PRO  17   9.360   7.986  -4.771
  117   2HB   PRO  17          1HB       PRO  17   9.933   6.526  -3.920
  118   1HG   PRO  17          2HG       PRO  17   9.420   6.885  -6.939
  119   2HG   PRO  17          1HG       PRO  17  10.796   6.097  -6.163
  120   1HD   PRO  17          2HD       PRO  17   8.383   4.749  -7.028
  121   2HD   PRO  17          1HD       PRO  17   9.633   4.044  -5.995
  122    H    MET  18           H        MET  18   5.604   6.775  -4.039
  123    HA   MET  18           HA       MET  18   4.866   8.603  -6.243
  124   1HB   MET  18          2HB       MET  18   3.710   6.036  -5.404
  125   2HB   MET  18          1HB       MET  18   2.777   7.163  -6.377
  126   1HG   MET  18          2HG       MET  18   3.847   6.287  -8.214
  127   2HG   MET  18          1HG       MET  18   5.340   6.834  -7.501
  128   1HE   MET  18          2HE       MET  18   2.691   4.446  -7.533
  129   2HE   MET  18          1HE       MET  18   3.355   2.866  -7.143
  130   3HE   MET  18          3HE       MET  18   3.147   4.053  -5.872
  131    H    LYS  19           H        LYS  19   2.885   9.445  -5.976
  132    HA   LYS  19           HA       LYS  19   2.146   9.912  -3.059
  133   1HB   LYS  19          2HB       LYS  19   3.030  12.024  -4.094
  134   2HB   LYS  19          1HB       LYS  19   1.925  11.850  -5.437
  135   1HG   LYS  19          2HG       LYS  19   1.101  13.548  -3.793
  136   2HG   LYS  19          1HG       LYS  19  -0.025  12.222  -3.933
  137   1HD   LYS  19          2HD       LYS  19   0.776  11.272  -1.770
  138   2HD   LYS  19          1HD       LYS  19   2.138  12.360  -1.769
  139   1HE   LYS  19          2HE       LYS  19   0.395  13.121  -0.157
  140   2HE   LYS  19          1HE       LYS  19   0.686  14.302  -1.407
  141   1HZ   LYS  19          1HZ       LYS  19  -1.469  12.628  -2.278
  142   2HZ   LYS  19          3HZ       LYS  19  -1.836  13.097  -0.768
  143   3HZ   LYS  19          2HZ       LYS  19  -1.457  14.282  -1.884
  144    H    CYS  20           H        CYS  20  -0.225   9.850  -2.710
  145    HA   CYS  20           HA       CYS  20  -1.524   8.290  -4.799
  146   1HB   CYS  20          2HB       CYS  20  -2.422   9.296  -2.104
  147   2HB   CYS  20          1HB       CYS  20  -3.295   8.110  -2.972
  148    H    ILE  21           H        ILE  21  -1.296  10.172  -6.134
  149    HA   ILE  21           HA       ILE  21  -2.095  12.675  -6.284
  150    HB   ILE  21           HB       ILE  21  -2.396  10.426  -8.290
  151   1HG1  ILE  21          2HG1      ILE  21  -0.162  10.813  -7.705
  152   2HG1  ILE  21          1HG1      ILE  21  -0.368  11.656  -9.238
  153   1HG2  ILE  21          2HG2      ILE  21  -3.904  12.156  -9.260
  154   2HG2  ILE  21          1HG2      ILE  21  -2.606  13.350  -9.194
  155   3HG2  ILE  21          3HG2      ILE  21  -2.472  11.946 -10.220
  156   1HD1  ILE  21          3HD1      ILE  21  -0.648  13.821  -8.049
  157   2HD1  ILE  21          2HD1      ILE  21  -0.310  13.029  -6.504
  158   3HD1  ILE  21          1HD1      ILE  21   0.838  13.004  -7.739
  159    H    TYR  22           H        TYR  22  -3.601  13.864  -7.699
  160    HA   TYR  22           HA       TYR  22  -6.354  13.157  -6.837
  161   1HB   TYR  22          2HB       TYR  22  -4.791  15.748  -6.530
  162   2HB   TYR  22          1HB       TYR  22  -6.483  15.600  -5.997
  163    HD1  TYR  22           HD2      TYR  22  -6.959  13.611  -4.231
  164    HD2  TYR  22           HD1      TYR  22  -3.073  14.921  -5.387
  165    HE1  TYR  22           HE2      TYR  22  -5.976  12.290  -2.414
  166    HE2  TYR  22           HE1      TYR  22  -2.103  13.621  -3.638
  167    HH   TYR  22           HH       TYR  22  -3.610  11.266  -2.261
  168    H    ALA  23           H        ALA  23  -7.944  14.826  -7.821
  169    HA   ALA  23           HA       ALA  23  -7.332  15.130 -10.731
  170   1HB   ALA  23          1HB       ALA  23  -8.910  13.207 -10.283
  171   2HB   ALA  23          3HB       ALA  23  -9.980  14.300  -9.424
  172   3HB   ALA  23          2HB       ALA  23  -9.732  14.488 -11.154
  173    H    TRP  24           H        TRP  24  -9.411  16.550 -11.556
  174    HA   TRP  24           HA       TRP  24  -8.916  19.172 -10.464
  175   1HB   TRP  24          2HB       TRP  24  -9.975  19.767 -12.483
  176   2HB   TRP  24          1HB       TRP  24 -10.382  18.088 -12.778
  177    HD1  TRP  24           HD1      TRP  24 -13.018  17.620 -12.826
  178    HE1  TRP  24           HE1      TRP  24 -15.062  18.780 -11.960
  179    HE3  TRP  24           HE3      TRP  24 -10.739  21.453 -10.446
  180    HZ2  TRP  24           HZ2      TRP  24 -15.649  20.981 -10.454
  181    HZ3  TRP  24           HZ3      TRP  24 -12.131  23.122  -9.275
  182    HH2  TRP  24           HH2      TRP  24 -14.596  22.890  -9.279
  183    H    TYR  25           H        TYR  25 -11.534  16.895 -10.210
  184    HA   TYR  25           HA       TYR  25 -12.945  18.413  -8.124
  185   1HB   TYR  25          2HB       TYR  25 -14.624  16.605  -8.284
  186   2HB   TYR  25          1HB       TYR  25 -14.126  17.007  -9.915
  187    HD1  TYR  25           HD1      TYR  25 -13.668  14.574  -7.159
  188    HD2  TYR  25           HD2      TYR  25 -12.968  15.325 -11.290
  189    HE1  TYR  25           HE1      TYR  25 -12.960  12.277  -7.431
  190    HE2  TYR  25           HE2      TYR  25 -12.253  12.998 -11.563
  191    HH   TYR  25           HH       TYR  25 -12.748  10.747 -10.316
  192    H    ASN  26           H        ASN  26 -13.516  16.732  -6.099
  193    HA   ASN  26           HA       ASN  26 -11.007  15.321  -5.317
  194   1HB   ASN  26          2HB       ASN  26 -12.325  17.633  -4.028
  195   2HB   ASN  26          1HB       ASN  26 -11.910  16.371  -2.898
  196   1HD2  ASN  26          2HD2      ASN  26  -8.598  17.670  -4.874
  197   2HD2  ASN  26          1HD2      ASN  26  -9.870  17.004  -5.792
  198    H    GLN  27           H        GLN  27 -11.350  14.342  -3.143
  199    HA   GLN  27           HA       GLN  27 -13.075  13.197  -1.643
  200   1HB   GLN  27          2HB       GLN  27 -13.695  11.923  -4.367
  201   2HB   GLN  27          1HB       GLN  27 -13.898  11.034  -2.865
  202   1HG   GLN  27          2HG       GLN  27 -15.540  12.710  -2.047
  203   2HG   GLN  27          1HG       GLN  27 -15.414  13.607  -3.539
  204   1HE2  GLN  27          2HE2      GLN  27 -16.852   9.916  -4.372
  205   2HE2  GLN  27          1HE2      GLN  27 -15.292  10.056  -3.724
  206    H    GLN  28           H        GLN  28 -11.376  11.484  -4.305
  207    HA   GLN  28           HA       GLN  28  -9.582  10.281  -2.214
  208   1HB   GLN  28          2HB       GLN  28 -10.419   8.797  -4.788
  209   2HB   GLN  28          1HB       GLN  28  -9.605   8.132  -3.411
  210   1HG   GLN  28          2HG       GLN  28 -11.756   7.345  -2.963
  211   2HG   GLN  28          1HG       GLN  28 -11.723   8.812  -2.023
  212   1HE2  GLN  28          2HE2      GLN  28 -13.645   9.832  -5.364
  213   2HE2  GLN  28          1HE2      GLN  28 -11.955   9.649  -5.358
  214    H    GLY  29           H        GLY  29  -7.866   8.901  -3.825
  215   1HA   GLY  29          2HA       GLY  29  -6.789  10.865  -5.682
  216   2HA   GLY  29          1HA       GLY  29  -5.790  10.555  -4.259
  217    H    SER  30           H        SER  30  -4.179   9.857  -6.282
  218    HA   SER  30           HA       SER  30  -4.541   6.947  -6.501
  219   1HB   SER  30          2HB       SER  30  -4.084   7.020  -9.000
  220   2HB   SER  30          1HB       SER  30  -5.598   7.835  -8.584
  221    HG   SER  30           HG       SER  30  -4.726   9.617  -9.294
  222    H    CYS  31           H        CYS  31  -2.799   5.764  -6.484
  223    HA   CYS  31           HA       CYS  31  -0.291   6.770  -5.647
  224   1HB   CYS  31          2HB       CYS  31  -1.496   4.402  -5.649
  225   2HB   CYS  31          1HB       CYS  31  -0.655   4.205  -7.117
  226    H    GLN  32           H        GLN  32   0.706   8.337  -7.091
  227    HA   GLN  32           HA       GLN  32   1.532   7.188  -9.717
  228   1HB   GLN  32          2HB       GLN  32   0.876  10.123  -9.317
  229   2HB   GLN  32          1HB       GLN  32   1.240   9.341 -10.827
  230   1HG   GLN  32          2HG       GLN  32  -1.218   8.457  -9.311
  231   2HG   GLN  32          1HG       GLN  32  -1.288   9.825 -10.388
  232   1HE2  GLN  32          2HE2      GLN  32  -1.517   7.723 -13.167
  233   2HE2  GLN  32          1HE2      GLN  32  -1.912   9.215 -12.451
  234    H    THR  33           H        THR  33   3.456   7.785 -10.540
  235    HA   THR  33           HA       THR  33   5.131   8.555  -8.372
  236    HB   THR  33           HB       THR  33   6.681   8.324 -10.961
  237    HG1  THR  33           HG1      THR  33   5.487   7.040 -12.007
  238   1HG2  THR  33          3HG2      THR  33   7.251   7.479  -8.717
  239   2HG2  THR  33          2HG2      THR  33   6.127   6.135  -9.048
  240   3HG2  THR  33          1HG2      THR  33   7.518   6.392 -10.086
  241    H    THR  34           H        THR  34   4.002  10.688  -8.458
  242    HA   THR  34           HA       THR  34   6.114  12.359  -9.343
  243    HB   THR  34           HB       THR  34   4.689  12.129 -11.523
  244    HG1  THR  34           HG1      THR  34   5.200  14.171 -11.808
  245   1HG2  THR  34          3HG2      THR  34   2.506  11.817 -10.266
  246   2HG2  THR  34          2HG2      THR  34   2.553  13.509  -9.801
  247   3HG2  THR  34          1HG2      THR  34   2.393  13.063 -11.493
  248    H    ILE  35           H        ILE  35   5.513  14.645  -9.160
  249    HA   ILE  35           HA       ILE  35   5.043  16.503  -7.864
  250    HB   ILE  35           HB       ILE  35   2.627  15.212  -7.582
  251   1HG1  ILE  35          2HG1      ILE  35   3.605  17.429  -5.676
  252   2HG1  ILE  35          1HG1      ILE  35   3.178  17.711  -7.352
  253   1HG2  ILE  35          3HG2      ILE  35   3.388  13.740  -5.604
  254   2HG2  ILE  35          2HG2      ILE  35   3.732  15.196  -4.715
  255   3HG2  ILE  35          1HG2      ILE  35   2.094  14.806  -5.213
  256   1HD1  ILE  35          3HD1      ILE  35   0.859  16.940  -6.917
  257   2HD1  ILE  35          2HD1      ILE  35   1.241  16.700  -5.220
  258   3HD1  ILE  35          1HD1      ILE  35   1.289  18.305  -5.906
  259    H    THR  36           H        THR  36   5.149  13.477  -6.135
  260    HA   THR  36           HA       THR  36   7.669  14.160  -4.770
  261    HB   THR  36           HB       THR  36   5.138  13.303  -3.185
  262    HG1  THR  36           HG1      THR  36   6.169  15.750  -4.028
  263   1HG2  THR  36          1HG2      THR  36   7.826  14.467  -2.277
  264   2HG2  THR  36          3HG2      THR  36   6.516  13.941  -1.231
  265   3HG2  THR  36          2HG2      THR  36   7.431  12.763  -2.158
  266    H    GLY  37           H        GLY  37   7.040  12.596  -6.936
  267   1HA   GLY  37          2HA       GLY  37   7.075   9.827  -5.823
  268   2HA   GLY  37          1HA       GLY  37   6.504  10.226  -7.441
  269    H    LEU  38           H        LEU  38   9.246  11.478  -5.875
  270    HA   LEU  38           HA       LEU  38  11.131   9.763  -7.352
  271   1HB   LEU  38          2HB       LEU  38  10.650  11.370  -9.062
  272   2HB   LEU  38          1HB       LEU  38  10.733  12.711  -7.955
  273    HG   LEU  38           HG       LEU  38  13.237  12.326  -7.738
  274   1HD1  LEU  38          1HD1      LEU  38  12.770  10.065  -9.752
  275   2HD1  LEU  38          3HD1      LEU  38  14.334  10.615  -9.181
  276   3HD1  LEU  38          2HD1      LEU  38  13.232   9.837  -8.072
  277   1HD2  LEU  38          1HD2      LEU  38  12.411  13.793  -9.574
  278   2HD2  LEU  38          3HD2      LEU  38  13.855  12.928 -10.059
  279   3HD2  LEU  38          2HD2      LEU  38  12.287  12.402 -10.639
  280    H    PHE  39           H        PHE  39  10.948  12.790  -5.599
  281    HA   PHE  39           HA       PHE  39  13.328  12.049  -3.936
  282   1HB   PHE  39          2HB       PHE  39  13.297  14.599  -3.441
  283   2HB   PHE  39          1HB       PHE  39  13.695  14.188  -5.104
  284    HD1  PHE  39           HD1      PHE  39  11.886  14.312  -6.867
  285    HD2  PHE  39           HD2      PHE  39  11.273  15.832  -2.932
  286    HE1  PHE  39           HE1      PHE  39   9.939  15.576  -7.655
  287    HE2  PHE  39           HE2      PHE  39   9.336  17.102  -3.729
  288    HZ   PHE  39           HZ       PHE  39   8.664  16.978  -6.088
  289    H    LYS  40           H        LYS  40  11.391  10.667  -3.205
  290    HA   LYS  40           HA       LYS  40   9.739  12.069  -1.173
  291   1HB   LYS  40          2HB       LYS  40   8.558  10.672  -2.811
  292   2HB   LYS  40          1HB       LYS  40   9.510   9.277  -2.346
  293   1HG   LYS  40          2HG       LYS  40   8.548   9.303  -0.072
  294   2HG   LYS  40          1HG       LYS  40   7.680  10.785  -0.424
  295   1HD   LYS  40          2HD       LYS  40   6.376   9.622  -2.175
  296   2HD   LYS  40          1HD       LYS  40   7.300   8.150  -1.904
  297   1HE   LYS  40          2HE       LYS  40   6.458   7.947   0.406
  298   2HE   LYS  40          1HE       LYS  40   5.650   9.504   0.278
  299   1HZ   LYS  40          2HZ       LYS  40   4.851   7.961  -1.888
  300   2HZ   LYS  40          1HZ       LYS  40   4.642   6.987  -0.516
  301   3HZ   LYS  40          3HZ       LYS  40   3.916   8.527  -0.635
  302    H    LYS  41           H        LYS  41  11.986   9.322  -1.268
  303    HA   LYS  41           HA       LYS  41  13.128   8.244   0.485
  304   1HB   LYS  41          2HB       LYS  41  12.350  10.793   2.029
  305   2HB   LYS  41          1HB       LYS  41  13.294   9.501   2.707
  306   1HG   LYS  41          2HG       LYS  41  14.970   9.832   0.790
  307   2HG   LYS  41          1HG       LYS  41  14.059  11.271   0.353
  308   1HD   LYS  41          2HD       LYS  41  14.437  12.282   2.549
  309   2HD   LYS  41          1HD       LYS  41  15.145  10.801   3.172
  310   1HE   LYS  41          2HE       LYS  41  17.043  11.028   1.558
  311   2HE   LYS  41          1HE       LYS  41  16.357  12.529   0.960
  312   1HZ   LYS  41          1HZ       LYS  41  16.540  12.710   3.768
  313   2HZ   LYS  41          3HZ       LYS  41  18.028  12.156   3.185
  314   3HZ   LYS  41          2HZ       LYS  41  17.369  13.608   2.595
  315    H    CYS  42           H        CYS  42  11.346   6.788   0.223
  316    HA   CYS  42           HA       CYS  42   9.464   6.668   2.536
  317   1HB   CYS  42          2HB       CYS  42   8.722   6.783  -0.061
  318   2HB   CYS  42          1HB       CYS  42   9.292   5.147  -0.090
   
  No H/Q in entry =         318
  Start of MODEL    4
    1   1H    CYS   1          1H        CYS   1   0.339  -0.166  -0.273
    2   2H    CYS   1          3H        CYS   1   1.549  -1.021   0.506
    3   3H    CYS   1          2H        CYS   1   1.784   0.589   0.103
    4    HA   CYS   1           HA       CYS   1   2.633   0.039  -1.844
    5   1HB   CYS   1          2HB       CYS   1   3.584  -1.792  -0.970
    6   2HB   CYS   1          1HB       CYS   1   2.075  -2.716  -0.949
    7    H    ALA   2           H        ALA   2   1.294   0.955  -3.385
    8    HA   ALA   2           HA       ALA   2  -0.886  -0.713  -4.563
    9   1HB   ALA   2          1HB       ALA   2  -0.646   2.353  -4.399
   10   2HB   ALA   2          3HB       ALA   2  -1.955   1.476  -5.175
   11   3HB   ALA   2          2HB       ALA   2  -1.748   1.379  -3.432
   12    H    LYS   3           H        LYS   3  -0.862  -0.519  -6.988
   13    HA   LYS   3           HA       LYS   3   1.804   0.463  -7.994
   14   1HB   LYS   3          2HB       LYS   3   1.285  -2.116  -7.789
   15   2HB   LYS   3          1HB       LYS   3   0.247  -1.862  -9.182
   16   1HG   LYS   3          2HG       LYS   3   2.203  -0.874 -10.429
   17   2HG   LYS   3          1HG       LYS   3   3.254  -1.325  -9.099
   18   1HD   LYS   3          2HD       LYS   3   1.625  -3.196 -10.870
   19   2HD   LYS   3          1HD       LYS   3   3.368  -3.000 -10.879
   20   1HE   LYS   3          2HE       LYS   3   3.486  -3.929  -8.540
   21   2HE   LYS   3          1HE       LYS   3   1.743  -4.163  -8.560
   22   1HZ   LYS   3          3HZ       LYS   3   2.810  -5.308 -10.883
   23   2HZ   LYS   3          2HZ       LYS   3   3.717  -5.878  -9.571
   24   3HZ   LYS   3          1HZ       LYS   3   2.042  -6.104  -9.602
   25    H    LYS   4           H        LYS   4  -0.111   2.194  -7.902
   26    HA   LYS   4           HA       LYS   4  -1.275   3.812  -9.138
   27   1HB   LYS   4          2HB       LYS   4  -0.278   2.304 -11.625
   28   2HB   LYS   4          1HB       LYS   4  -1.073   3.850 -11.624
   29   1HG   LYS   4          2HG       LYS   4   1.106   4.529 -11.852
   30   2HG   LYS   4          1HG       LYS   4   0.848   4.695 -10.145
   31   1HD   LYS   4          2HD       LYS   4   2.174   2.915  -9.520
   32   2HD   LYS   4          1HD       LYS   4   1.959   2.037 -11.018
   33   1HE   LYS   4          2HE       LYS   4   3.596   4.629 -10.668
   34   2HE   LYS   4          1HE       LYS   4   4.274   3.020 -10.842
   35   1HZ   LYS   4          2HZ       LYS   4   2.440   3.397 -12.899
   36   2HZ   LYS   4          1HZ       LYS   4   3.410   4.787 -12.870
   37   3HZ   LYS   4          3HZ       LYS   4   4.125   3.252 -13.065
   38    H    ARG   5           H        ARG   5  -3.033   3.607 -11.197
   39    HA   ARG   5           HA       ARG   5  -5.003   2.740 -12.022
   40   1HB   ARG   5          2HB       ARG   5  -3.294   0.658 -12.210
   41   2HB   ARG   5          1HB       ARG   5  -4.347  -0.029 -10.991
   42   1HG   ARG   5          2HG       ARG   5  -6.233  -0.052 -12.391
   43   2HG   ARG   5          1HG       ARG   5  -5.624   1.217 -13.435
   44   1HD   ARG   5          2HD       ARG   5  -3.800  -0.396 -14.212
   45   2HD   ARG   5          1HD       ARG   5  -4.646  -1.671 -13.342
   46    HE   ARG   5           HE       ARG   5  -6.640  -1.196 -14.803
   47   1HH1  ARG   5          1HH2      ARG   5  -6.286   1.209 -16.090
   48   2HH1  ARG   5          2HH2      ARG   5  -5.499   0.891 -17.587
   49   1HH2  ARG   5          2HH1      ARG   5  -4.392  -2.264 -16.361
   50   2HH2  ARG   5          1HH1      ARG   5  -4.338  -1.265 -17.767
   51    H    ASN   6           H        ASN   6  -4.307   1.240  -8.891
   52    HA   ASN   6           HA       ASN   6  -7.110   1.820  -7.878
   53   1HB   ASN   6          2HB       ASN   6  -6.018  -0.705  -7.781
   54   2HB   ASN   6          1HB       ASN   6  -4.945   0.039  -6.599
   55   1HD2  ASN   6          2HD2      ASN   6  -8.459  -1.081  -5.201
   56   2HD2  ASN   6          1HD2      ASN   6  -7.749  -1.787  -6.582
   57    H    TRP   7           H        TRP   7  -7.092   2.925  -5.909
   58    HA   TRP   7           HA       TRP   7  -4.505   4.392  -5.656
   59   1HB   TRP   7          2HB       TRP   7  -5.833   6.405  -5.152
   60   2HB   TRP   7          1HB       TRP   7  -6.291   5.752  -6.703
   61    HD1  TRP   7           HD1      TRP   7  -7.470   5.029  -3.207
   62    HE1  TRP   7           HE1      TRP   7  -9.939   5.438  -2.984
   63    HE3  TRP   7           HE3      TRP   7  -8.378   6.325  -7.961
   64    HZ2  TRP   7           HZ2      TRP   7 -11.982   6.082  -4.598
   65    HZ3  TRP   7           HZ3      TRP   7 -10.724   6.829  -8.624
   66    HH2  TRP   7           HH2      TRP   7 -12.526   6.711  -6.942
   67    H    CYS   8           H        CYS   8  -4.463   5.697  -3.979
   68    HA   CYS   8           HA       CYS   8  -4.455   4.271  -1.386
   69   1HB   CYS   8          2HB       CYS   8  -2.732   6.284  -1.128
   70   2HB   CYS   8          1HB       CYS   8  -2.335   4.843  -2.029
   71    H    GLY   9           H        GLY   9  -5.743   6.912  -3.100
   72   1HA   GLY   9          2HA       GLY   9  -7.647   8.244  -2.504
   73   2HA   GLY   9          1HA       GLY   9  -7.477   7.690  -0.830
   74    H    LYS  10           H        LYS  10  -5.159   8.135  -0.032
   75    HA   LYS  10           HA       LYS  10  -4.132  10.819  -0.731
   76   1HB   LYS  10          2HB       LYS  10  -4.091  11.502   1.630
   77   2HB   LYS  10          1HB       LYS  10  -5.722  10.967   1.313
   78   1HG   LYS  10          2HG       LYS  10  -3.731   8.876   2.321
   79   2HG   LYS  10          1HG       LYS  10  -4.254  10.068   3.415
   80   1HD   LYS  10          2HD       LYS  10  -6.202   8.405   1.702
   81   2HD   LYS  10          1HD       LYS  10  -5.566   7.755   3.177
   82   1HE   LYS  10          2HE       LYS  10  -7.180  10.307   3.059
   83   2HE   LYS  10          1HE       LYS  10  -7.729   8.751   3.669
   84   1HZ   LYS  10          3HZ       LYS  10  -5.220   9.412   4.830
   85   2HZ   LYS  10          2HZ       LYS  10  -6.322  10.667   5.138
   86   3HZ   LYS  10          1HZ       LYS  10  -6.579   9.026   5.586
   87    H    ASN  11           H        ASN  11  -2.112  11.062   0.892
   88    HA   ASN  11           HA       ASN  11  -0.421   8.896  -0.077
   89   1HB   ASN  11          2HB       ASN  11   0.576  11.159   0.003
   90   2HB   ASN  11          1HB       ASN  11   0.241  11.311   1.720
   91   1HD2  ASN  11          2HD2      ASN  11   3.132   9.536   2.701
   92   2HD2  ASN  11          1HD2      ASN  11   1.635  10.157   3.194
   93    H    GLU  12           H        GLU  12  -2.238   7.619   1.441
   94    HA   GLU  12           HA       GLU  12  -1.345   7.403   4.268
   95   1HB   GLU  12          2HB       GLU  12  -3.809   6.896   2.957
   96   2HB   GLU  12          1HB       GLU  12  -3.203   5.298   3.235
   97   1HG   GLU  12          2HG       GLU  12  -4.367   5.598   5.186
   98   2HG   GLU  12          1HG       GLU  12  -2.771   6.076   5.707
   99    H    ASP  13           H        ASP  13  -1.994   5.036   1.709
  100    HA   ASP  13           HA       ASP  13   0.619   3.714   2.265
  101   1HB   ASP  13          2HB       ASP  13  -1.082   2.276   3.228
  102   2HB   ASP  13          1HB       ASP  13  -2.096   2.407   1.780
  103    H    CYS  14           H        CYS  14   1.760   3.025   0.543
  104    HA   CYS  14           HA       CYS  14   0.748   2.777  -2.211
  105   1HB   CYS  14          2HB       CYS  14   1.175   5.339  -1.613
  106   2HB   CYS  14          1HB       CYS  14   2.853   4.884  -1.778
  107    H    CYS  15           H        CYS  15   2.618   2.299  -3.619
  108    HA   CYS  15           HA       CYS  15   4.749   0.766  -2.162
  109   1HB   CYS  15          2HB       CYS  15   2.875  -0.165  -4.070
  110   2HB   CYS  15          1HB       CYS  15   4.171   0.317  -5.059
  111    H    CYS  16           H        CYS  16   5.689   2.684  -1.882
  112    HA   CYS  16           HA       CYS  16   6.074   4.866  -3.369
  113   1HB   CYS  16          2HB       CYS  16   8.314   4.932  -2.143
  114   2HB   CYS  16          1HB       CYS  16   6.853   4.818  -1.208
  115    HA   PRO  17           HA       PRO  17   7.440   6.367  -3.420
  116   1HB   PRO  17          2HB       PRO  17   9.050   8.111  -4.421
  117   2HB   PRO  17          1HB       PRO  17   9.785   6.628  -3.751
  118   1HG   PRO  17          2HG       PRO  17   9.118   7.240  -6.696
  119   2HG   PRO  17          1HG       PRO  17  10.628   6.609  -6.040
  120   1HD   PRO  17          2HD       PRO  17   8.467   4.965  -6.985
  121   2HD   PRO  17          1HD       PRO  17   9.792   4.397  -5.960
  122    H    MET  18           H        MET  18   5.392   6.287  -3.972
  123    HA   MET  18           HA       MET  18   4.562   8.324  -5.986
  124   1HB   MET  18          2HB       MET  18   3.554   5.689  -5.173
  125   2HB   MET  18          1HB       MET  18   2.429   6.836  -5.885
  126   1HG   MET  18          2HG       MET  18   4.184   6.979  -7.800
  127   2HG   MET  18          1HG       MET  18   4.975   5.648  -7.044
  128   1HE   MET  18          2HE       MET  18   4.287   3.646  -6.757
  129   2HE   MET  18          1HE       MET  18   2.705   4.074  -6.072
  130   3HE   MET  18          3HE       MET  18   2.819   2.837  -7.318
  131    H    LYS  19           H        LYS  19   2.798   9.350  -5.532
  132    HA   LYS  19           HA       LYS  19   2.014   9.554  -2.631
  133   1HB   LYS  19          2HB       LYS  19   3.598  11.407  -3.553
  134   2HB   LYS  19          1HB       LYS  19   2.299  11.848  -4.622
  135   1HG   LYS  19          2HG       LYS  19   1.831  11.757  -1.629
  136   2HG   LYS  19          1HG       LYS  19   2.577  13.151  -2.330
  137   1HD   LYS  19          2HD       LYS  19   0.410  13.092  -3.986
  138   2HD   LYS  19          1HD       LYS  19  -0.249  12.127  -2.699
  139   1HE   LYS  19          2HE       LYS  19  -0.865  14.470  -2.437
  140   2HE   LYS  19          1HE       LYS  19  -0.086  13.747  -1.038
  141   1HZ   LYS  19          1HZ       LYS  19   1.925  14.840  -2.691
  142   2HZ   LYS  19          3HZ       LYS  19   0.718  16.019  -2.478
  143   3HZ   LYS  19          2HZ       LYS  19   1.466  15.311  -1.139
  144    H    CYS  20           H        CYS  20  -0.281  10.268  -2.497
  145    HA   CYS  20           HA       CYS  20  -1.724   9.177  -4.794
  146   1HB   CYS  20          2HB       CYS  20  -2.062   9.050  -2.160
  147   2HB   CYS  20          1HB       CYS  20  -3.141  10.385  -2.458
  148    H    ILE  21           H        ILE  21  -2.093  10.448  -6.402
  149    HA   ILE  21           HA       ILE  21  -2.134  13.364  -6.313
  150    HB   ILE  21           HB       ILE  21  -2.639  11.468  -8.648
  151   1HG1  ILE  21          2HG1      ILE  21  -0.458  10.826  -7.939
  152   2HG1  ILE  21          1HG1      ILE  21  -0.241  11.900  -9.321
  153   1HG2  ILE  21          1HG2      ILE  21  -1.719  14.340  -8.676
  154   2HG2  ILE  21          3HG2      ILE  21  -1.778  13.284 -10.074
  155   3HG2  ILE  21          2HG2      ILE  21  -3.260  13.707  -9.264
  156   1HD1  ILE  21          2HD1      ILE  21   0.233  13.761  -7.673
  157   2HD1  ILE  21          1HD1      ILE  21   0.045  12.518  -6.435
  158   3HD1  ILE  21          3HD1      ILE  21   1.367  12.412  -7.540
  159    H    TYR  22           H        TYR  22  -3.905  14.347  -7.569
  160    HA   TYR  22           HA       TYR  22  -6.542  13.083  -6.997
  161   1HB   TYR  22          2HB       TYR  22  -5.443  15.859  -6.465
  162   2HB   TYR  22          1HB       TYR  22  -7.174  15.510  -6.323
  163    HD1  TYR  22           HD2      TYR  22  -7.858  13.573  -4.794
  164    HD2  TYR  22           HD1      TYR  22  -3.922  15.192  -4.769
  165    HE1  TYR  22           HE2      TYR  22  -7.433  12.467  -2.659
  166    HE2  TYR  22           HE1      TYR  22  -3.497  14.074  -2.621
  167    HH   TYR  22           HH       TYR  22  -5.713  11.847  -1.309
  168    H    ALA  23           H        ALA  23  -8.254  14.773  -8.253
  169    HA   ALA  23           HA       ALA  23  -7.155  15.115 -11.013
  170   1HB   ALA  23          1HB       ALA  23  -8.438  12.957 -10.816
  171   2HB   ALA  23          3HB       ALA  23  -9.832  13.859 -10.237
  172   3HB   ALA  23          2HB       ALA  23  -9.266  14.067 -11.893
  173    H    TRP  24           H        TRP  24  -9.793  15.944 -11.957
  174    HA   TRP  24           HA       TRP  24  -9.636  18.739 -11.163
  175   1HB   TRP  24          2HB       TRP  24 -10.774  18.930 -13.199
  176   2HB   TRP  24          1HB       TRP  24 -10.994  17.197 -13.280
  177    HD1  TRP  24           HD1      TRP  24 -13.535  16.510 -13.375
  178    HE1  TRP  24           HE1      TRP  24 -15.710  17.476 -12.604
  179    HE3  TRP  24           HE3      TRP  24 -11.742  20.669 -11.120
  180    HZ2  TRP  24           HZ2      TRP  24 -16.579  19.676 -11.221
  181    HZ3  TRP  24           HZ3      TRP  24 -13.339  22.222 -10.059
  182    HH2  TRP  24           HH2      TRP  24 -15.764  21.728 -10.110
  183    H    TYR  25           H        TYR  25 -12.128  16.263 -10.767
  184    HA   TYR  25           HA       TYR  25 -13.554  17.757  -8.731
  185   1HB   TYR  25          2HB       TYR  25 -15.009  15.835  -8.556
  186   2HB   TYR  25          1HB       TYR  25 -14.474  15.738 -10.220
  187    HD1  TYR  25           HD1      TYR  25 -12.197  14.285 -10.566
  188    HD2  TYR  25           HD2      TYR  25 -14.783  13.936  -7.194
  189    HE1  TYR  25           HE1      TYR  25 -11.265  12.083 -10.064
  190    HE2  TYR  25           HE2      TYR  25 -13.843  11.737  -6.714
  191    HH   TYR  25           HH       TYR  25 -11.002  10.653  -7.956
  192    H    ASN  26           H        ASN  26 -13.775  16.681  -6.455
  193    HA   ASN  26           HA       ASN  26 -11.114  15.659  -5.543
  194   1HB   ASN  26          2HB       ASN  26 -11.294  17.086  -3.548
  195   2HB   ASN  26          1HB       ASN  26 -11.600  18.125  -4.926
  196   1HD2  ASN  26          2HD2      ASN  26 -14.896  18.817  -3.880
  197   2HD2  ASN  26          1HD2      ASN  26 -13.688  19.141  -5.026
  198    H    GLN  27           H        GLN  27 -11.357  14.681  -3.395
  199    HA   GLN  27           HA       GLN  27 -12.905  13.590  -1.732
  200   1HB   GLN  27          2HB       GLN  27 -14.848  13.433  -3.336
  201   2HB   GLN  27          1HB       GLN  27 -13.968  12.245  -4.271
  202   1HG   GLN  27          2HG       GLN  27 -13.927  10.934  -1.899
  203   2HG   GLN  27          1HG       GLN  27 -15.276  12.003  -1.550
  204   1HE2  GLN  27          2HE2      GLN  27 -17.437  10.202  -3.663
  205   2HE2  GLN  27          1HE2      GLN  27 -17.296  11.403  -2.467
  206    H    GLN  28           H        GLN  28 -11.790  11.970  -4.704
  207    HA   GLN  28           HA       GLN  28 -10.134  10.149  -3.011
  208   1HB   GLN  28          2HB       GLN  28 -11.578   9.608  -5.645
  209   2HB   GLN  28          1HB       GLN  28 -10.472   8.489  -4.877
  210   1HG   GLN  28          2HG       GLN  28 -12.797   9.618  -3.272
  211   2HG   GLN  28          1HG       GLN  28 -13.061   8.285  -4.366
  212   1HE2  GLN  28          2HE2      GLN  28 -12.202   6.245  -1.615
  213   2HE2  GLN  28          1HE2      GLN  28 -13.439   6.718  -2.688
  214    H    GLY  29           H        GLY  29  -8.294   9.162  -4.214
  215   1HA   GLY  29          2HA       GLY  29  -7.038  11.040  -6.179
  216   2HA   GLY  29          1HA       GLY  29  -6.169  10.630  -4.709
  217    H    SER  30           H        SER  30  -4.502   9.850  -6.302
  218    HA   SER  30           HA       SER  30  -4.793   6.983  -6.755
  219   1HB   SER  30          2HB       SER  30  -4.088   7.143  -9.171
  220   2HB   SER  30          1HB       SER  30  -5.649   7.937  -8.901
  221    HG   SER  30           HG       SER  30  -4.694   9.868  -8.975
  222    H    CYS  31           H        CYS  31  -2.886   5.845  -6.613
  223    HA   CYS  31           HA       CYS  31  -0.602   7.261  -5.575
  224   1HB   CYS  31          2HB       CYS  31  -1.264   4.452  -6.231
  225   2HB   CYS  31          1HB       CYS  31   0.418   4.829  -6.351
  226    H    GLN  32           H        GLN  32   0.467   8.707  -7.026
  227    HA   GLN  32           HA       GLN  32   1.486   7.325  -9.471
  228   1HB   GLN  32          2HB       GLN  32   0.836  10.289  -9.531
  229   2HB   GLN  32          1HB       GLN  32   0.967   9.202 -10.879
  230   1HG   GLN  32          2HG       GLN  32  -1.270   8.267  -9.243
  231   2HG   GLN  32          1HG       GLN  32  -1.466   9.946  -9.546
  232   1HE2  GLN  32          2HE2      GLN  32  -3.042   9.065 -12.461
  233   2HE2  GLN  32          1HE2      GLN  32  -3.230   9.657 -10.871
  234    H    THR  33           H        THR  33   3.413   8.059 -10.237
  235    HA   THR  33           HA       THR  33   4.960   8.684  -7.957
  236    HB   THR  33           HB       THR  33   6.598   8.771 -10.458
  237    HG1  THR  33           HG1      THR  33   5.626   7.343 -11.573
  238   1HG2  THR  33          1HG2      THR  33   7.195   7.951  -8.245
  239   2HG2  THR  33          3HG2      THR  33   6.064   6.610  -8.465
  240   3HG2  THR  33          2HG2      THR  33   7.459   6.768  -9.531
  241    H    THR  34           H        THR  34   3.657  10.899  -7.989
  242    HA   THR  34           HA       THR  34   5.671  12.721  -8.819
  243    HB   THR  34           HB       THR  34   4.274  12.545 -10.984
  244    HG1  THR  34           HG1      THR  34   3.410  14.841 -10.809
  245   1HG2  THR  34          1HG2      THR  34   2.200  11.887  -9.658
  246   2HG2  THR  34          3HG2      THR  34   2.048  13.566  -9.155
  247   3HG2  THR  34          2HG2      THR  34   1.864  13.124 -10.852
  248    H    ILE  35           H        ILE  35   4.986  14.999  -8.589
  249    HA   ILE  35           HA       ILE  35   4.380  16.790  -7.204
  250    HB   ILE  35           HB       ILE  35   2.162  15.180  -6.749
  251   1HG1  ILE  35          2HG1      ILE  35   2.287  17.688  -6.466
  252   2HG1  ILE  35          1HG1      ILE  35   1.264  16.933  -5.278
  253   1HG2  ILE  35          1HG2      ILE  35   3.168  13.739  -4.872
  254   2HG2  ILE  35          3HG2      ILE  35   3.450  15.184  -3.983
  255   3HG2  ILE  35          2HG2      ILE  35   1.806  14.682  -4.424
  256   1HD1  ILE  35          3HD1      ILE  35   4.160  17.825  -4.801
  257   2HD1  ILE  35          2HD1      ILE  35   2.727  18.666  -4.255
  258   3HD1  ILE  35          1HD1      ILE  35   3.133  17.117  -3.571
  259    H    THR  36           H        THR  36   4.788  13.791  -5.555
  260    HA   THR  36           HA       THR  36   7.434  14.514  -4.450
  261    HB   THR  36           HB       THR  36   6.587  13.594  -2.130
  262    HG1  THR  36           HG1      THR  36   4.778  12.648  -2.725
  263   1HG2  THR  36          3HG2      THR  36   5.083  16.104  -3.096
  264   2HG2  THR  36          2HG2      THR  36   5.405  15.638  -1.430
  265   3HG2  THR  36          1HG2      THR  36   6.717  16.111  -2.487
  266    H    GLY  37           H        GLY  37   6.655  12.878  -6.563
  267   1HA   GLY  37          2HA       GLY  37   7.023  10.141  -5.400
  268   2HA   GLY  37          1HA       GLY  37   6.222  10.451  -6.939
  269    H    LEU  38           H        LEU  38   9.085  11.681  -5.564
  270    HA   LEU  38           HA       LEU  38  10.794  10.145  -7.446
  271   1HB   LEU  38          2HB       LEU  38  10.085  12.031  -8.790
  272   2HB   LEU  38          1HB       LEU  38  10.453  13.166  -7.537
  273    HG   LEU  38           HG       LEU  38  12.091  13.103  -9.531
  274   1HD1  LEU  38          1HD1      LEU  38  13.005  13.933  -7.371
  275   2HD1  LEU  38          3HD1      LEU  38  13.517  12.309  -6.932
  276   3HD1  LEU  38          2HD1      LEU  38  14.216  13.100  -8.316
  277   1HD2  LEU  38          2HD2      LEU  38  11.978  10.682  -9.990
  278   2HD2  LEU  38          1HD2      LEU  38  13.640  11.180  -9.769
  279   3HD2  LEU  38          3HD2      LEU  38  12.810  10.325  -8.484
  280    H    PHE  39           H        PHE  39  10.891  12.922  -5.296
  281    HA   PHE  39           HA       PHE  39  13.453  11.977  -4.143
  282   1HB   PHE  39          2HB       PHE  39  13.378  14.306  -3.069
  283   2HB   PHE  39          1HB       PHE  39  13.424  14.320  -4.822
  284    HD1  PHE  39           HD1      PHE  39  11.198  14.774  -1.862
  285    HD2  PHE  39           HD2      PHE  39  11.516  15.125  -6.106
  286    HE1  PHE  39           HE1      PHE  39   9.103  16.025  -1.925
  287    HE2  PHE  39           HE2      PHE  39   9.411  16.378  -6.149
  288    HZ   PHE  39           HZ       PHE  39   8.205  16.839  -4.075
  289    H    LYS  40           H        LYS  40  11.361  10.370  -3.535
  290    HA   LYS  40           HA       LYS  40  10.495  11.120  -0.779
  291   1HB   LYS  40          2HB       LYS  40   8.944  10.071  -2.629
  292   2HB   LYS  40          1HB       LYS  40   9.821   8.577  -2.353
  293   1HG   LYS  40          2HG       LYS  40   9.010   8.384  -0.086
  294   2HG   LYS  40          1HG       LYS  40   8.474  10.064  -0.061
  295   1HD   LYS  40          2HD       LYS  40   6.782   9.515  -1.831
  296   2HD   LYS  40          1HD       LYS  40   7.288   7.835  -1.773
  297   1HE   LYS  40          2HE       LYS  40   6.559   7.622   0.567
  298   2HE   LYS  40          1HE       LYS  40   6.231   9.346   0.679
  299   1HZ   LYS  40          1HZ       LYS  40   4.777   8.259  -1.518
  300   2HZ   LYS  40          3HZ       LYS  40   4.440   7.340  -0.155
  301   3HZ   LYS  40          2HZ       LYS  40   4.162   8.994  -0.140
  302    H    LYS  41           H        LYS  41  10.764   8.924   0.730
  303    HA   LYS  41           HA       LYS  41  13.570   8.006   0.232
  304   1HB   LYS  41          2HB       LYS  41  12.871   9.688   2.296
  305   2HB   LYS  41          1HB       LYS  41  12.498   8.154   3.051
  306   1HG   LYS  41          2HG       LYS  41  14.742   8.410   3.654
  307   2HG   LYS  41          1HG       LYS  41  14.892   7.399   2.246
  308   1HD   LYS  41          2HD       LYS  41  15.387  10.411   2.439
  309   2HD   LYS  41          1HD       LYS  41  16.572   9.160   2.138
  310   1HE   LYS  41          2HE       LYS  41  15.455   8.680  -0.098
  311   2HE   LYS  41          1HE       LYS  41  14.364  10.024   0.229
  312   1HZ   LYS  41          1HZ       LYS  41  16.992  10.951   0.560
  313   2HZ   LYS  41          3HZ       LYS  41  16.882  10.111  -0.920
  314   3HZ   LYS  41          2HZ       LYS  41  15.824  11.386  -0.598
  315    H    CYS  42           H        CYS  42  12.582   6.470  -0.959
  316    HA   CYS  42           HA       CYS  42  11.955   3.999   0.548
  317   1HB   CYS  42          2HB       CYS  42   9.880   4.828  -0.563
  318   2HB   CYS  42          1HB       CYS  42  10.719   5.048  -2.075
   
  No H/Q in entry =         318
  Start of MODEL    5
    1   1H    CYS   1          2H        CYS   1   1.071  -1.576   0.065
    2   2H    CYS   1          1H        CYS   1   2.458  -2.511   0.376
    3   3H    CYS   1          3H        CYS   1   2.472  -0.834   0.609
    4    HA   CYS   1           HA       CYS   1   3.085  -0.445  -1.459
    5   1HB   CYS   1          2HB       CYS   1   4.444  -2.298  -1.582
    6   2HB   CYS   1          1HB       CYS   1   3.140  -3.440  -1.368
    7    H    ALA   2           H        ALA   2   2.085  -0.218  -3.653
    8    HA   ALA   2           HA       ALA   2  -0.429  -1.511  -4.339
    9   1HB   ALA   2          3HB       ALA   2  -1.249   0.368  -2.784
   10   2HB   ALA   2          2HB       ALA   2  -0.464   1.536  -3.822
   11   3HB   ALA   2          1HB       ALA   2  -1.783   0.582  -4.440
   12    H    LYS   3           H        LYS   3  -1.045  -0.672  -6.614
   13    HA   LYS   3           HA       LYS   3   1.272   0.612  -7.980
   14   1HB   LYS   3          2HB       LYS   3  -0.257  -1.934  -8.721
   15   2HB   LYS   3          1HB       LYS   3   0.511  -0.998  -9.975
   16   1HG   LYS   3          2HG       LYS   3   2.103  -1.913  -7.540
   17   2HG   LYS   3          1HG       LYS   3   1.865  -2.996  -8.897
   18   1HD   LYS   3          2HD       LYS   3   2.872  -1.194 -10.415
   19   2HD   LYS   3          1HD       LYS   3   3.244  -0.261  -8.978
   20   1HE   LYS   3          2HE       LYS   3   4.729  -2.106  -8.146
   21   2HE   LYS   3          1HE       LYS   3   4.335  -3.074  -9.551
   22   1HZ   LYS   3          3HZ       LYS   3   5.216  -0.537 -10.431
   23   2HZ   LYS   3          2HZ       LYS   3   6.323  -1.127  -9.298
   24   3HZ   LYS   3          1HZ       LYS   3   5.968  -2.063 -10.669
   25    H    LYS   4           H        LYS   4   0.591   1.733  -9.898
   26    HA   LYS   4           HA       LYS   4  -1.489   3.446  -9.506
   27   1HB   LYS   4          2HB       LYS   4  -1.292   4.064 -11.901
   28   2HB   LYS   4          1HB       LYS   4   0.274   3.829 -11.166
   29   1HG   LYS   4          2HG       LYS   4  -0.039   1.310 -12.070
   30   2HG   LYS   4          1HG       LYS   4  -1.194   2.049 -13.144
   31   1HD   LYS   4          2HD       LYS   4   1.714   2.894 -12.874
   32   2HD   LYS   4          1HD       LYS   4   1.094   1.840 -14.126
   33   1HE   LYS   4          2HE       LYS   4  -0.378   3.717 -14.964
   34   2HE   LYS   4          1HE       LYS   4   0.302   4.773 -13.730
   35   1HZ   LYS   4          1HZ       LYS   4   2.461   3.583 -14.998
   36   2HZ   LYS   4          3HZ       LYS   4   1.401   4.062 -16.240
   37   3HZ   LYS   4          2HZ       LYS   4   1.971   5.194 -15.108
   38    H    ARG   5           H        ARG   5  -3.483   3.781 -10.430
   39    HA   ARG   5           HA       ARG   5  -5.474   3.286 -11.721
   40   1HB   ARG   5          2HB       ARG   5  -4.585   0.986 -12.435
   41   2HB   ARG   5          1HB       ARG   5  -4.966   0.437 -10.809
   42   1HG   ARG   5          2HG       ARG   5  -7.364   0.927 -11.154
   43   2HG   ARG   5          1HG       ARG   5  -7.021   1.459 -12.793
   44   1HD   ARG   5          2HD       ARG   5  -7.745  -0.992 -12.603
   45   2HD   ARG   5          1HD       ARG   5  -6.187  -0.770 -13.404
   46    HE   ARG   5           HE       ARG   5  -6.415  -1.439 -10.466
   47   1HH1  ARG   5          2HH1      ARG   5  -3.633  -0.903 -10.994
   48   2HH1  ARG   5          1HH1      ARG   5  -3.054  -2.407 -11.589
   49   1HH2  ARG   5          1HH2      ARG   5  -6.305  -3.548 -12.362
   50   2HH2  ARG   5          2HH2      ARG   5  -4.667  -4.045 -12.486
   51    H    ASN   6           H        ASN   6  -4.731   1.228  -8.991
   52    HA   ASN   6           HA       ASN   6  -7.181   2.086  -7.472
   53   1HB   ASN   6          2HB       ASN   6  -4.849   0.172  -6.819
   54   2HB   ASN   6          1HB       ASN   6  -6.260   0.386  -5.794
   55   1HD2  ASN   6          2HD2      ASN   6  -8.142  -1.912  -7.760
   56   2HD2  ASN   6          1HD2      ASN   6  -7.997  -1.094  -6.278
   57    H    TRP   7           H        TRP   7  -6.970   3.000  -5.449
   58    HA   TRP   7           HA       TRP   7  -4.492   4.616  -5.297
   59   1HB   TRP   7          2HB       TRP   7  -5.872   6.523  -4.741
   60   2HB   TRP   7          1HB       TRP   7  -6.494   5.803  -6.223
   61    HD1  TRP   7           HD1      TRP   7  -7.386   5.012  -2.636
   62    HE1  TRP   7           HE1      TRP   7  -9.835   5.433  -2.293
   63    HE3  TRP   7           HE3      TRP   7  -8.448   6.497  -7.258
   64    HZ2  TRP   7           HZ2      TRP   7 -11.961   6.161  -3.810
   65    HZ3  TRP   7           HZ3      TRP   7 -10.798   7.056  -7.858
   66    HH2  TRP   7           HH2      TRP   7 -12.577   6.887  -6.125
   67    H    CYS   8           H        CYS   8  -4.299   5.803  -3.476
   68    HA   CYS   8           HA       CYS   8  -4.418   4.106  -1.043
   69   1HB   CYS   8          2HB       CYS   8  -2.526   5.949  -0.554
   70   2HB   CYS   8          1HB       CYS   8  -2.211   4.553  -1.532
   71    H    GLY   9           H        GLY   9  -5.746   6.818  -2.515
   72   1HA   GLY   9          2HA       GLY   9  -7.610   8.146  -1.755
   73   2HA   GLY   9          1HA       GLY   9  -7.287   7.607  -0.105
   74    H    LYS  10           H        LYS  10  -4.999   7.999   0.444
   75    HA   LYS  10           HA       LYS  10  -3.996  10.745  -0.065
   76   1HB   LYS  10          2HB       LYS  10  -3.527  10.863   2.450
   77   2HB   LYS  10          1HB       LYS  10  -5.258  10.644   2.205
   78   1HG   LYS  10          2HG       LYS  10  -5.180   8.304   2.703
   79   2HG   LYS  10          1HG       LYS  10  -3.511   8.140   2.366
   80   1HD   LYS  10          2HD       LYS  10  -3.506   7.918   4.619
   81   2HD   LYS  10          1HD       LYS  10  -3.075   9.589   4.423
   82   1HE   LYS  10          2HE       LYS  10  -5.279  10.295   5.114
   83   2HE   LYS  10          1HE       LYS  10  -5.999   8.726   4.748
   84   1HZ   LYS  10          2HZ       LYS  10  -3.929   8.388   6.644
   85   2HZ   LYS  10          1HZ       LYS  10  -5.042   9.529   7.264
   86   3HZ   LYS  10          3HZ       LYS  10  -5.454   7.940   6.754
   87    H    ASN  11           H        ASN  11  -1.696  10.690   1.043
   88    HA   ASN  11           HA       ASN  11  -0.415   8.540  -0.436
   89   1HB   ASN  11          2HB       ASN  11   1.729   9.558   0.638
   90   2HB   ASN  11          1HB       ASN  11   0.815  10.628  -0.401
   91   1HD2  ASN  11          2HD2      ASN  11   0.696  11.345   3.637
   92   2HD2  ASN  11          1HD2      ASN  11   1.058   9.755   3.129
   93    H    GLU  12           H        GLU  12  -1.953   7.196   1.331
   94    HA   GLU  12           HA       GLU  12  -0.400   6.570   3.772
   95   1HB   GLU  12          2HB       GLU  12  -3.198   6.397   3.216
   96   2HB   GLU  12          1HB       GLU  12  -2.693   4.746   3.152
   97   1HG   GLU  12          2HG       GLU  12  -1.949   4.662   5.372
   98   2HG   GLU  12          1HG       GLU  12  -1.745   6.389   5.511
   99    H    ASP  13           H        ASP  13  -1.623   4.332   1.136
  100    HA   ASP  13           HA       ASP  13   1.011   2.960   1.489
  101   1HB   ASP  13          2HB       ASP  13  -0.777   1.642   2.663
  102   2HB   ASP  13          1HB       ASP  13  -1.553   1.385   1.101
  103    H    CYS  14           H        CYS  14   2.133   2.572  -0.174
  104    HA   CYS  14           HA       CYS  14   1.185   1.615  -2.748
  105   1HB   CYS  14          2HB       CYS  14   2.057   4.451  -2.348
  106   2HB   CYS  14          1HB       CYS  14   2.535   3.624  -3.821
  107    H    CYS  15           H        CYS  15   2.880   1.434  -4.256
  108    HA   CYS  15           HA       CYS  15   5.232   0.285  -2.835
  109   1HB   CYS  15          2HB       CYS  15   3.538  -0.511  -4.943
  110   2HB   CYS  15          1HB       CYS  15   4.987  -0.101  -5.713
  111    H    CYS  16           H        CYS  16   5.958   2.285  -2.363
  112    HA   CYS  16           HA       CYS  16   6.428   4.516  -3.781
  113   1HB   CYS  16          2HB       CYS  16   8.213   3.059  -1.884
  114   2HB   CYS  16          1HB       CYS  16   8.643   4.637  -2.472
  115    HA   PRO  17           HA       PRO  17   7.895   6.069  -3.975
  116   1HB   PRO  17          2HB       PRO  17   8.396   7.844  -5.851
  117   2HB   PRO  17          1HB       PRO  17   9.750   6.873  -5.199
  118   1HG   PRO  17          2HG       PRO  17   8.097   6.381  -7.739
  119   2HG   PRO  17          1HG       PRO  17   9.851   6.404  -7.625
  120   1HD   PRO  17          2HD       PRO  17   8.340   4.054  -7.439
  121   2HD   PRO  17          1HD       PRO  17   9.925   4.207  -6.656
  122    H    MET  18           H        MET  18   6.073   7.270  -3.988
  123    HA   MET  18           HA       MET  18   4.016   7.423  -5.994
  124   1HB   MET  18          2HB       MET  18   3.930   5.059  -4.706
  125   2HB   MET  18          1HB       MET  18   3.045   6.040  -3.543
  126   1HG   MET  18          2HG       MET  18   1.513   5.126  -5.214
  127   2HG   MET  18          1HG       MET  18   1.556   6.840  -5.421
  128   1HE   MET  18          3HE       MET  18   2.778   3.610  -6.141
  129   2HE   MET  18          2HE       MET  18   2.512   3.394  -7.855
  130   3HE   MET  18          1HE       MET  18   4.120   3.902  -7.237
  131    H    LYS  19           H        LYS  19   2.129   8.470  -5.138
  132    HA   LYS  19           HA       LYS  19   2.205   9.912  -2.624
  133   1HB   LYS  19          2HB       LYS  19   3.615  11.387  -4.256
  134   2HB   LYS  19          1HB       LYS  19   2.227  11.393  -5.323
  135   1HG   LYS  19          2HG       LYS  19   0.961  12.280  -3.083
  136   2HG   LYS  19          1HG       LYS  19   2.596  12.754  -2.632
  137   1HD   LYS  19          2HD       LYS  19   2.739  13.938  -4.879
  138   2HD   LYS  19          1HD       LYS  19   1.059  13.576  -5.121
  139   1HE   LYS  19          2HE       LYS  19   0.869  15.718  -4.246
  140   2HE   LYS  19          1HE       LYS  19   0.596  14.723  -2.834
  141   1HZ   LYS  19          2HZ       LYS  19   3.390  15.305  -3.136
  142   2HZ   LYS  19          1HZ       LYS  19   2.513  16.715  -3.187
  143   3HZ   LYS  19          3HZ       LYS  19   2.341  15.723  -1.817
  144    H    CYS  20           H        CYS  20  -0.350  10.461  -2.419
  145    HA   CYS  20           HA       CYS  20  -1.646   8.801  -4.466
  146   1HB   CYS  20          2HB       CYS  20  -2.038   9.228  -1.853
  147   2HB   CYS  20          1HB       CYS  20  -3.258  10.304  -2.465
  148    H    ILE  21           H        ILE  21  -2.556   9.793  -6.236
  149    HA   ILE  21           HA       ILE  21  -2.279  12.738  -6.440
  150    HB   ILE  21           HB       ILE  21  -2.533  10.631  -8.642
  151   1HG1  ILE  21          2HG1      ILE  21  -0.504  10.157  -7.313
  152   2HG1  ILE  21          1HG1      ILE  21  -0.003  10.949  -8.804
  153   1HG2  ILE  21          1HG2      ILE  21  -1.627  13.528  -8.788
  154   2HG2  ILE  21          3HG2      ILE  21  -1.628  12.363 -10.096
  155   3HG2  ILE  21          2HG2      ILE  21  -3.143  12.889  -9.394
  156   1HD1  ILE  21          1HD1      ILE  21  -0.012  12.959  -7.676
  157   2HD1  ILE  21          3HD1      ILE  21  -0.238  12.219  -6.104
  158   3HD1  ILE  21          2HD1      ILE  21   1.225  11.882  -7.043
  159    H    TYR  22           H        TYR  22  -3.790  14.030  -7.068
  160    HA   TYR  22           HA       TYR  22  -6.593  13.059  -7.253
  161   1HB   TYR  22          2HB       TYR  22  -5.710  15.762  -6.207
  162   2HB   TYR  22          1HB       TYR  22  -7.238  14.943  -5.896
  163    HD1  TYR  22           HD1      TYR  22  -3.615  14.896  -5.192
  164    HD2  TYR  22           HD2      TYR  22  -7.399  13.426  -3.934
  165    HE1  TYR  22           HE1      TYR  22  -2.592  13.972  -3.201
  166    HE2  TYR  22           HE2      TYR  22  -6.364  12.490  -1.927
  167    HH   TYR  22           HH       TYR  22  -3.075  13.240  -1.089
  168    H    ALA  23           H        ALA  23  -7.988  14.834  -8.318
  169    HA   ALA  23           HA       ALA  23  -6.574  16.301 -10.467
  170   1HB   ALA  23          1HB       ALA  23  -8.933  14.394 -10.883
  171   2HB   ALA  23          3HB       ALA  23  -8.215  15.394 -12.134
  172   3HB   ALA  23          2HB       ALA  23  -7.292  14.087 -11.415
  173    H    TRP  24           H        TRP  24  -8.092  17.857 -11.447
  174    HA   TRP  24           HA       TRP  24  -9.072  19.875 -10.254
  175   1HB   TRP  24          2HB       TRP  24  -9.823  19.973 -12.441
  176   2HB   TRP  24          1HB       TRP  24 -10.330  18.292 -12.469
  177    HD1  TRP  24           HD1      TRP  24 -12.910  18.098 -12.742
  178    HE1  TRP  24           HE1      TRP  24 -14.932  19.358 -11.980
  179    HE3  TRP  24           HE3      TRP  24 -10.573  21.844 -10.273
  180    HZ2  TRP  24           HZ2      TRP  24 -15.497  21.599 -10.545
  181    HZ3  TRP  24           HZ3      TRP  24 -11.951  23.583  -9.188
  182    HH2  TRP  24           HH2      TRP  24 -14.422  23.466  -9.327
  183    H    TYR  25           H        TYR  25 -11.503  17.340 -10.315
  184    HA   TYR  25           HA       TYR  25 -13.227  18.554  -8.378
  185   1HB   TYR  25          2HB       TYR  25 -14.399  16.278  -8.525
  186   2HB   TYR  25          1HB       TYR  25 -14.125  17.064 -10.078
  187    HD1  TYR  25           HD1      TYR  25 -12.603  14.606  -7.698
  188    HD2  TYR  25           HD2      TYR  25 -12.779  15.968 -11.728
  189    HE1  TYR  25           HE1      TYR  25 -11.179  12.748  -8.386
  190    HE2  TYR  25           HE2      TYR  25 -11.360  14.111 -12.411
  191    HH   TYR  25           HH       TYR  25 -10.845  11.740 -11.496
  192    H    ASN  26           H        ASN  26 -10.400  17.615  -7.627
  193    HA   ASN  26           HA       ASN  26  -9.386  16.186  -5.965
  194   1HB   ASN  26          2HB       ASN  26  -9.269  18.646  -5.720
  195   2HB   ASN  26          1HB       ASN  26 -10.640  18.562  -4.615
  196   1HD2  ASN  26          2HD2      ASN  26  -8.596  17.542  -1.895
  197   2HD2  ASN  26          1HD2      ASN  26 -10.161  17.966  -2.419
  198    H    GLN  27           H        GLN  27 -11.002  14.363  -5.955
  199    HA   GLN  27           HA       GLN  27 -12.588  14.314  -3.408
  200   1HB   GLN  27          2HB       GLN  27 -12.920  12.638  -5.940
  201   2HB   GLN  27          1HB       GLN  27 -13.690  12.239  -4.425
  202   1HG   GLN  27          2HG       GLN  27 -14.738  14.584  -4.462
  203   2HG   GLN  27          1HG       GLN  27 -14.175  14.691  -6.125
  204   1HE2  GLN  27          2HE2      GLN  27 -17.107  12.938  -7.091
  205   2HE2  GLN  27          1HE2      GLN  27 -16.127  14.305  -7.351
  206    H    GLN  28           H        GLN  28 -10.888  11.957  -5.403
  207    HA   GLN  28           HA       GLN  28  -9.900  10.652  -2.901
  208   1HB   GLN  28          2HB       GLN  28 -10.784   9.449  -5.571
  209   2HB   GLN  28          1HB       GLN  28  -9.937   8.535  -4.343
  210   1HG   GLN  28          2HG       GLN  28 -12.405  10.111  -3.525
  211   2HG   GLN  28          1HG       GLN  28 -12.606   8.568  -4.324
  212   1HE2  GLN  28          2HE2      GLN  28 -12.444   7.251  -1.044
  213   2HE2  GLN  28          1HE2      GLN  28 -13.444   7.580  -2.382
  214    H    GLY  29           H        GLY  29  -8.043   9.069  -3.662
  215   1HA   GLY  29          2HA       GLY  29  -6.084  10.865  -5.089
  216   2HA   GLY  29          1HA       GLY  29  -5.639   9.806  -3.760
  217    H    SER  30           H        SER  30  -4.039   8.925  -5.196
  218    HA   SER  30           HA       SER  30  -4.758   6.457  -6.450
  219   1HB   SER  30          2HB       SER  30  -4.117   7.123  -8.834
  220   2HB   SER  30          1HB       SER  30  -5.661   7.801  -8.287
  221    HG   SER  30           HG       SER  30  -4.778   9.688  -7.974
  222    H    CYS  31           H        CYS  31  -3.170   5.119  -6.861
  223    HA   CYS  31           HA       CYS  31  -0.625   5.807  -5.684
  224   1HB   CYS  31          2HB       CYS  31  -1.987   3.535  -5.874
  225   2HB   CYS  31          1HB       CYS  31  -1.177   3.366  -7.395
  226    H    GLN  32           H        GLN  32  -0.096   7.653  -6.966
  227    HA   GLN  32           HA       GLN  32   1.117   7.037  -9.628
  228   1HB   GLN  32          2HB       GLN  32  -0.992   7.885 -10.057
  229   2HB   GLN  32          1HB       GLN  32  -0.920   9.126  -8.917
  230   1HG   GLN  32          2HG       GLN  32  -0.279  10.306 -10.952
  231   2HG   GLN  32          1HG       GLN  32   1.314   9.670 -10.563
  232   1HE2  GLN  32          2HE2      GLN  32  -0.748   8.163 -13.677
  233   2HE2  GLN  32          1HE2      GLN  32  -1.429   9.312 -12.620
  234    H    THR  33           H        THR  33   3.123   7.569  -9.661
  235    HA   THR  33           HA       THR  33   4.047   9.032  -7.293
  236    HB   THR  33           HB       THR  33   4.788   6.818  -7.597
  237    HG1  THR  33           HG1      THR  33   6.969   8.691  -7.916
  238   1HG2  THR  33          2HG2      THR  33   5.106   6.540  -9.951
  239   2HG2  THR  33          1HG2      THR  33   6.474   7.681  -9.868
  240   3HG2  THR  33          3HG2      THR  33   6.501   6.170  -8.949
  241    H    THR  34           H        THR  34   3.128  10.853  -8.646
  242    HA   THR  34           HA       THR  34   5.381  12.244  -9.977
  243    HB   THR  34           HB       THR  34   3.728  11.235 -11.772
  244    HG1  THR  34           HG1      THR  34   4.192  12.995 -12.817
  245   1HG2  THR  34          3HG2      THR  34   1.719  11.620 -10.199
  246   2HG2  THR  34          2HG2      THR  34   1.897  13.333 -10.464
  247   3HG2  THR  34          1HG2      THR  34   1.481  12.282 -11.811
  248    H    ILE  35           H        ILE  35   4.960  14.298 -10.513
  249    HA   ILE  35           HA       ILE  35   4.715  16.536  -9.984
  250    HB   ILE  35           HB       ILE  35   2.250  15.480  -9.190
  251   1HG1  ILE  35          2HG1      ILE  35   1.582  17.895  -8.641
  252   2HG1  ILE  35          1HG1      ILE  35   3.281  18.315  -8.777
  253   1HG2  ILE  35          2HG2      ILE  35   3.366  16.703  -6.647
  254   2HG2  ILE  35          1HG2      ILE  35   1.689  16.258  -6.942
  255   3HG2  ILE  35          3HG2      ILE  35   2.894  15.025  -6.855
  256   1HD1  ILE  35          1HD1      ILE  35   3.270  17.468 -11.161
  257   2HD1  ILE  35          3HD1      ILE  35   1.582  17.041 -10.980
  258   3HD1  ILE  35          2HD1      ILE  35   2.079  18.717 -10.912
  259    H    THR  36           H        THR  36   4.616  14.412  -7.250
  260    HA   THR  36           HA       THR  36   7.241  15.392  -6.292
  261    HB   THR  36           HB       THR  36   6.256  15.557  -3.839
  262    HG1  THR  36           HG1      THR  36   4.126  15.022  -5.449
  263   1HG2  THR  36          1HG2      THR  36   5.092  17.578  -5.856
  264   2HG2  THR  36          3HG2      THR  36   5.292  17.820  -4.130
  265   3HG2  THR  36          2HG2      THR  36   6.694  17.685  -5.174
  266    H    GLY  37           H        GLY  37   6.045  12.976  -7.479
  267   1HA   GLY  37          2HA       GLY  37   6.158  10.978  -5.277
  268   2HA   GLY  37          1HA       GLY  37   5.807  10.633  -6.977
  269    H    LEU  38           H        LEU  38   8.278  12.258  -5.256
  270    HA   LEU  38           HA       LEU  38  10.366  10.342  -5.932
  271   1HB   LEU  38          2HB       LEU  38  10.154  11.563  -8.046
  272   2HB   LEU  38          1HB       LEU  38  10.251  13.101  -7.222
  273    HG   LEU  38           HG       LEU  38  12.530  11.035  -7.091
  274   1HD1  LEU  38          2HD1      LEU  38  12.163  13.237  -9.189
  275   2HD1  LEU  38          1HD1      LEU  38  13.582  12.213  -9.023
  276   3HD1  LEU  38          3HD1      LEU  38  12.050  11.510  -9.498
  277   1HD2  LEU  38          2HD2      LEU  38  12.548  14.089  -6.878
  278   2HD2  LEU  38          1HD2      LEU  38  12.736  13.012  -5.509
  279   3HD2  LEU  38          3HD2      LEU  38  13.956  13.055  -6.744
  280    H    PHE  39           H        PHE  39   9.526  13.591  -4.822
  281    HA   PHE  39           HA       PHE  39  11.837  13.747  -3.022
  282   1HB   PHE  39          2HB       PHE  39   9.331  15.477  -2.864
  283   2HB   PHE  39          1HB       PHE  39  10.954  15.914  -2.396
  284    HD1  PHE  39           HD1      PHE  39  12.750  15.778  -4.468
  285    HD2  PHE  39           HD2      PHE  39   8.542  16.279  -4.866
  286    HE1  PHE  39           HE1      PHE  39  13.067  16.723  -6.715
  287    HE2  PHE  39           HE2      PHE  39   8.854  17.216  -7.118
  288    HZ   PHE  39           HZ       PHE  39  11.128  17.441  -8.040
  289    H    LYS  40           H        LYS  40  10.359  11.418  -2.659
  290    HA   LYS  40           HA       LYS  40   9.383  11.797   0.109
  291   1HB   LYS  40          2HB       LYS  40   7.311  11.490  -1.205
  292   2HB   LYS  40          1HB       LYS  40   8.043  10.176  -2.121
  293   1HG   LYS  40          2HG       LYS  40   8.078   8.701  -0.307
  294   2HG   LYS  40          1HG       LYS  40   7.976   9.988   0.874
  295   1HD   LYS  40          2HD       LYS  40   5.528  10.176   0.380
  296   2HD   LYS  40          1HD       LYS  40   5.695   9.058  -0.967
  297   1HE   LYS  40          2HE       LYS  40   4.904   7.923   1.182
  298   2HE   LYS  40          1HE       LYS  40   6.360   7.218   0.495
  299   1HZ   LYS  40          2HZ       LYS  40   7.027   9.372   2.193
  300   2HZ   LYS  40          1HZ       LYS  40   6.062   8.254   3.054
  301   3HZ   LYS  40          3HZ       LYS  40   7.504   7.740   2.312
  302    H    LYS  41           H        LYS  41  11.422  11.066   0.832
  303    HA   LYS  41           HA       LYS  41  12.676   8.694  -0.178
  304   1HB   LYS  41          2HB       LYS  41  13.863   8.725   2.066
  305   2HB   LYS  41          1HB       LYS  41  13.878  10.301   1.295
  306   1HG   LYS  41          2HG       LYS  41  11.654  10.738   2.704
  307   2HG   LYS  41          1HG       LYS  41  12.149   9.325   3.604
  308   1HD   LYS  41          2HD       LYS  41  14.290  10.377   4.179
  309   2HD   LYS  41          1HD       LYS  41  13.875  11.794   3.219
  310   1HE   LYS  41          2HE       LYS  41  11.867  12.192   4.682
  311   2HE   LYS  41          1HE       LYS  41  12.303  10.787   5.645
  312   1HZ   LYS  41          1HZ       LYS  41  14.557  12.441   5.432
  313   2HZ   LYS  41          3HZ       LYS  41  13.257  13.417   5.915
  314   3HZ   LYS  41          2HZ       LYS  41  13.670  12.040   6.816
  315    H    CYS  42           H        CYS  42  12.080   6.551   0.155
  316    HA   CYS  42           HA       CYS  42  10.076   5.871   2.231
  317   1HB   CYS  42          2HB       CYS  42   9.230   6.108  -0.373
  318   2HB   CYS  42          1HB       CYS  42  10.019   4.566  -0.495
   
  No H/Q in entry =         318
  Start of MODEL    6
    1   1H    CYS   1          2H        CYS   1   1.445  -1.945   0.059
    2   2H    CYS   1          1H        CYS   1   3.013  -2.578   0.278
    3   3H    CYS   1          3H        CYS   1   2.676  -0.912   0.485
    4    HA   CYS   1           HA       CYS   1   3.121  -0.531  -1.619
    5   1HB   CYS   1          2HB       CYS   1   3.695  -3.447  -1.501
    6   2HB   CYS   1          1HB       CYS   1   3.287  -2.890  -3.091
    7    H    ALA   2           H        ALA   2   1.680   0.193  -3.051
    8    HA   ALA   2           HA       ALA   2  -0.768  -1.391  -3.704
    9   1HB   ALA   2          1HB       ALA   2  -1.259   0.787  -2.425
   10   2HB   ALA   2          3HB       ALA   2  -0.484   1.687  -3.711
   11   3HB   ALA   2          2HB       ALA   2  -1.938   0.784  -4.033
   12    H    LYS   3           H        LYS   3  -1.489   0.080  -6.004
   13    HA   LYS   3           HA       LYS   3   0.915   0.271  -7.670
   14   1HB   LYS   3          2HB       LYS   3   0.263  -2.142  -7.739
   15   2HB   LYS   3          1HB       LYS   3  -1.351  -1.706  -8.253
   16   1HG   LYS   3          2HG       LYS   3  -0.689  -1.699 -10.447
   17   2HG   LYS   3          1HG       LYS   3   0.473  -0.446 -10.122
   18   1HD   LYS   3          2HD       LYS   3   1.667  -2.275 -11.111
   19   2HD   LYS   3          1HD       LYS   3   2.156  -2.158  -9.430
   20   1HE   LYS   3          2HE       LYS   3   0.637  -4.061  -8.839
   21   2HE   LYS   3          1HE       LYS   3   0.044  -4.113 -10.486
   22   1HZ   LYS   3          2HZ       LYS   3   2.850  -4.305 -10.606
   23   2HZ   LYS   3          1HZ       LYS   3   2.330  -5.365  -9.400
   24   3HZ   LYS   3          3HZ       LYS   3   1.729  -5.522 -10.966
   25    H    LYS   4           H        LYS   4   0.662   1.583  -9.269
   26    HA   LYS   4           HA       LYS   4  -1.286   3.599  -9.306
   27   1HB   LYS   4          2HB       LYS   4  -0.231   4.120 -11.601
   28   2HB   LYS   4          1HB       LYS   4   0.863   4.101 -10.234
   29   1HG   LYS   4          2HG       LYS   4   1.677   1.861 -10.805
   30   2HG   LYS   4          1HG       LYS   4   0.403   1.603 -11.976
   31   1HD   LYS   4          2HD       LYS   4   2.641   3.656 -12.193
   32   2HD   LYS   4          1HD       LYS   4   2.672   2.069 -12.946
   33   1HE   LYS   4          2HE       LYS   4   0.509   2.725 -14.183
   34   2HE   LYS   4          1HE       LYS   4   0.717   4.349 -13.545
   35   1HZ   LYS   4          2HZ       LYS   4   3.162   3.552 -14.679
   36   2HZ   LYS   4          1HZ       LYS   4   1.925   3.218 -15.804
   37   3HZ   LYS   4          3HZ       LYS   4   2.124   4.790 -15.165
   38    H    ARG   5           H        ARG   5  -3.156   2.157  -9.282
   39    HA   ARG   5           HA       ARG   5  -4.527   1.948 -11.869
   40   1HB   ARG   5          2HB       ARG   5  -3.436  -0.321 -11.595
   41   2HB   ARG   5          1HB       ARG   5  -4.239  -0.494 -10.036
   42   1HG   ARG   5          2HG       ARG   5  -6.483  -0.084 -11.356
   43   2HG   ARG   5          1HG       ARG   5  -5.549  -0.372 -12.805
   44   1HD   ARG   5          2HD       ARG   5  -5.905  -2.279 -10.451
   45   2HD   ARG   5          1HD       ARG   5  -6.600  -2.465 -12.057
   46    HE   ARG   5           HE       ARG   5  -3.625  -2.397 -11.647
   47   1HH1  ARG   5          2HH1      ARG   5  -4.524  -2.575 -14.367
   48   2HH1  ARG   5          1HH1      ARG   5  -4.623  -4.258 -14.724
   49   1HH2  ARG   5          1HH2      ARG   5  -4.595  -4.987 -11.223
   50   2HH2  ARG   5          2HH2      ARG   5  -4.658  -5.771 -12.757
   51    H    ASN   6           H        ASN   6  -4.398   1.113  -8.537
   52    HA   ASN   6           HA       ASN   6  -7.180   2.172  -7.877
   53   1HB   ASN   6          2HB       ASN   6  -5.276   0.346  -6.290
   54   2HB   ASN   6          1HB       ASN   6  -6.835   0.920  -5.718
   55   1HD2  ASN   6          2HD2      ASN   6  -6.968  -2.520  -7.457
   56   2HD2  ASN   6          1HD2      ASN   6  -5.706  -1.923  -6.494
   57    H    TRP   7           H        TRP   7  -7.174   3.234  -5.828
   58    HA   TRP   7           HA       TRP   7  -4.678   4.853  -5.724
   59   1HB   TRP   7          2HB       TRP   7  -6.059   6.738  -5.190
   60   2HB   TRP   7          1HB       TRP   7  -6.625   6.013  -6.688
   61    HD1  TRP   7           HD1      TRP   7  -7.667   5.256  -3.131
   62    HE1  TRP   7           HE1      TRP   7 -10.150   5.767  -2.879
   63    HE3  TRP   7           HE3      TRP   7  -8.495   6.703  -7.791
   64    HZ2  TRP   7           HZ2      TRP   7 -12.172   6.586  -4.499
   65    HZ3  TRP   7           HZ3      TRP   7 -10.772   7.349  -8.508
   66    HH2  TRP   7           HH2      TRP   7 -12.644   7.286  -6.852
   67    H    CYS   8           H        CYS   8  -4.495   6.053  -3.927
   68    HA   CYS   8           HA       CYS   8  -4.810   4.386  -1.461
   69   1HB   CYS   8          2HB       CYS   8  -2.834   6.148  -0.912
   70   2HB   CYS   8          1HB       CYS   8  -2.531   4.695  -1.841
   71    H    GLY   9           H        GLY   9  -5.921   7.041  -3.085
   72   1HA   GLY   9          2HA       GLY   9  -7.635   8.582  -2.535
   73   2HA   GLY   9          1HA       GLY   9  -7.579   8.005  -0.857
   74    H    LYS  10           H        LYS  10  -5.381   8.329   0.082
   75    HA   LYS  10           HA       LYS  10  -4.023  10.919  -0.370
   76   1HB   LYS  10          2HB       LYS  10  -5.419  11.437   1.539
   77   2HB   LYS  10          1HB       LYS  10  -5.524   9.756   2.024
   78   1HG   LYS  10          2HG       LYS  10  -3.092   9.869   2.752
   79   2HG   LYS  10          1HG       LYS  10  -3.102  11.586   2.506
   80   1HD   LYS  10          2HD       LYS  10  -4.775   9.836   4.382
   81   2HD   LYS  10          1HD       LYS  10  -3.488  10.896   4.855
   82   1HE   LYS  10          2HE       LYS  10  -6.310  11.575   3.854
   83   2HE   LYS  10          1HE       LYS  10  -5.594  12.026   5.394
   84   1HZ   LYS  10          2HZ       LYS  10  -3.983  13.025   3.316
   85   2HZ   LYS  10          1HZ       LYS  10  -5.585  13.485   3.003
   86   3HZ   LYS  10          3HZ       LYS  10  -4.845  13.893   4.483
   87    H    ASN  11           H        ASN  11  -1.926  10.785   0.752
   88    HA   ASN  11           HA       ASN  11  -0.133   9.114  -0.177
   89   1HB   ASN  11          2HB       ASN  11  -0.310  10.444   2.476
   90   2HB   ASN  11          1HB       ASN  11   0.778   9.066   2.478
   91   1HD2  ASN  11          2HD2      ASN  11   3.244  10.795   0.694
   92   2HD2  ASN  11          1HD2      ASN  11   2.867   9.530   1.751
   93    H    GLU  12           H        GLU  12  -2.245   8.015   2.262
   94    HA   GLU  12           HA       GLU  12  -2.110   5.983   3.590
   95   1HB   GLU  12          2HB       GLU  12  -3.848   6.375   1.648
   96   2HB   GLU  12          1HB       GLU  12  -3.024   5.083   0.833
   97   1HG   GLU  12          2HG       GLU  12  -3.601   3.552   2.677
   98   2HG   GLU  12          1HG       GLU  12  -4.299   4.896   3.585
   99    H    ASP  13           H        ASP  13  -1.832   3.656   1.186
  100    HA   ASP  13           HA       ASP  13   1.089   3.210   1.747
  101   1HB   ASP  13          2HB       ASP  13  -0.053   1.410   3.026
  102   2HB   ASP  13          1HB       ASP  13  -1.110   1.064   1.658
  103    H    CYS  14           H        CYS  14   2.240   2.853  -0.023
  104    HA   CYS  14           HA       CYS  14   1.078   1.837  -2.524
  105   1HB   CYS  14          2HB       CYS  14   1.980   4.651  -2.090
  106   2HB   CYS  14          1HB       CYS  14   2.374   3.857  -3.612
  107    H    CYS  15           H        CYS  15   2.818   1.619  -4.114
  108    HA   CYS  15           HA       CYS  15   5.132   0.416  -2.655
  109   1HB   CYS  15          2HB       CYS  15   3.506  -0.439  -4.706
  110   2HB   CYS  15          1HB       CYS  15   4.802   0.231  -5.594
  111    H    CYS  16           H        CYS  16   5.848   2.350  -2.026
  112    HA   CYS  16           HA       CYS  16   6.385   4.640  -3.346
  113   1HB   CYS  16          2HB       CYS  16   8.274   4.787  -1.666
  114   2HB   CYS  16          1HB       CYS  16   6.691   4.453  -1.021
  115    HA   PRO  17           HA       PRO  17   7.811   6.138  -3.633
  116   1HB   PRO  17          2HB       PRO  17   8.462   7.770  -5.579
  117   2HB   PRO  17          1HB       PRO  17   9.770   6.853  -4.793
  118   1HG   PRO  17          2HG       PRO  17   8.258   6.154  -7.382
  119   2HG   PRO  17          1HG       PRO  17  10.006   6.187  -7.154
  120   1HD   PRO  17          2HD       PRO  17   8.473   3.847  -6.871
  121   2HD   PRO  17          1HD       PRO  17  10.018   4.079  -6.041
  122    H    MET  18           H        MET  18   6.023   7.193  -3.792
  123    HA   MET  18           HA       MET  18   4.016   7.349  -5.861
  124   1HB   MET  18          2HB       MET  18   3.867   5.014  -4.481
  125   2HB   MET  18          1HB       MET  18   2.961   6.078  -3.410
  126   1HG   MET  18          2HG       MET  18   1.501   5.115  -5.124
  127   2HG   MET  18          1HG       MET  18   1.539   6.828  -5.274
  128   1HE   MET  18          1HE       MET  18   2.402   3.496  -6.347
  129   2HE   MET  18          3HE       MET  18   3.290   3.601  -7.855
  130   3HE   MET  18          2HE       MET  18   4.104   4.028  -6.345
  131    H    LYS  19           H        LYS  19   2.234   8.468  -5.079
  132    HA   LYS  19           HA       LYS  19   2.265   9.970  -2.598
  133   1HB   LYS  19          2HB       LYS  19   3.601  11.501  -4.112
  134   2HB   LYS  19          1HB       LYS  19   2.462  11.218  -5.407
  135   1HG   LYS  19          2HG       LYS  19   2.009  13.423  -4.376
  136   2HG   LYS  19          1HG       LYS  19   0.657  12.365  -4.138
  137   1HD   LYS  19          2HD       LYS  19   1.294  11.876  -1.843
  138   2HD   LYS  19          1HD       LYS  19   2.823  12.721  -2.017
  139   1HE   LYS  19          2HE       LYS  19   1.641  14.860  -2.261
  140   2HE   LYS  19          1HE       LYS  19   0.072  14.067  -2.290
  141   1HZ   LYS  19          1HZ       LYS  19   1.451  13.245   0.038
  142   2HZ   LYS  19          3HZ       LYS  19   1.492  14.957  -0.043
  143   3HZ   LYS  19          2HZ       LYS  19   0.019  14.115  -0.066
  144    H    CYS  20           H        CYS  20  -0.216  10.657  -2.450
  145    HA   CYS  20           HA       CYS  20  -1.619   8.922  -4.386
  146   1HB   CYS  20          2HB       CYS  20  -2.001   9.124  -1.777
  147   2HB   CYS  20          1HB       CYS  20  -3.125  10.388  -2.283
  148    H    ILE  21           H        ILE  21  -2.446  10.033  -6.098
  149    HA   ILE  21           HA       ILE  21  -2.214  12.953  -6.141
  150    HB   ILE  21           HB       ILE  21  -2.468  10.753  -8.187
  151   1HG1  ILE  21          2HG1      ILE  21  -0.295  11.115  -7.201
  152   2HG1  ILE  21          1HG1      ILE  21  -0.268  11.611  -8.885
  153   1HG2  ILE  21          3HG2      ILE  21  -2.411  13.678  -9.106
  154   2HG2  ILE  21          2HG2      ILE  21  -2.238  12.277 -10.128
  155   3HG2  ILE  21          1HG2      ILE  21  -3.749  12.553  -9.312
  156   1HD1  ILE  21          2HD1      ILE  21  -0.600  13.642  -6.612
  157   2HD1  ILE  21          1HD1      ILE  21   0.775  13.080  -7.393
  158   3HD1  ILE  21          3HD1      ILE  21  -0.408  13.948  -8.338
  159    H    TYR  22           H        TYR  22  -3.551  14.092  -7.672
  160    HA   TYR  22           HA       TYR  22  -6.405  13.508  -7.162
  161   1HB   TYR  22          2HB       TYR  22  -4.837  16.080  -6.700
  162   2HB   TYR  22          1HB       TYR  22  -6.567  15.904  -6.316
  163    HD1  TYR  22           HD2      TYR  22  -7.130  13.800  -4.699
  164    HD2  TYR  22           HD1      TYR  22  -3.246  15.487  -5.217
  165    HE1  TYR  22           HE2      TYR  22  -6.336  12.603  -2.720
  166    HE2  TYR  22           HE1      TYR  22  -2.465  14.303  -3.261
  167    HH   TYR  22           HH       TYR  22  -3.184  12.148  -2.158
  168    H    ALA  23           H        ALA  23  -7.740  14.780  -8.624
  169    HA   ALA  23           HA       ALA  23  -6.397  15.505 -11.189
  170   1HB   ALA  23          3HB       ALA  23  -7.513  13.209 -11.304
  171   2HB   ALA  23          2HB       ALA  23  -9.031  13.940 -10.814
  172   3HB   ALA  23          1HB       ALA  23  -8.309  14.348 -12.366
  173    H    TRP  24           H        TRP  24  -9.166  16.126 -12.178
  174    HA   TRP  24           HA       TRP  24  -9.299  18.852 -11.180
  175   1HB   TRP  24          2HB       TRP  24 -11.194  19.094 -12.664
  176   2HB   TRP  24          1HB       TRP  24 -10.213  17.902 -13.490
  177    HD1  TRP  24           HD1      TRP  24 -11.298  15.307 -13.562
  178    HE1  TRP  24           HE1      TRP  24 -13.555  14.409 -12.912
  179    HE3  TRP  24           HE3      TRP  24 -12.967  19.352 -11.129
  180    HZ2  TRP  24           HZ2      TRP  24 -15.797  15.320 -11.536
  181    HZ3  TRP  24           HZ3      TRP  24 -15.189  19.341 -10.130
  182    HH2  TRP  24           HH2      TRP  24 -16.637  17.309 -10.327
  183    H    TYR  25           H        TYR  25 -10.615  15.827 -10.270
  184    HA   TYR  25           HA       TYR  25 -12.783  16.612  -8.684
  185   1HB   TYR  25          2HB       TYR  25 -11.016  14.196  -8.801
  186   2HB   TYR  25          1HB       TYR  25 -11.784  14.419  -7.246
  187    HD1  TYR  25           HD1      TYR  25 -14.329  15.168  -7.368
  188    HD2  TYR  25           HD2      TYR  25 -12.279  13.098 -10.484
  189    HE1  TYR  25           HE1      TYR  25 -16.445  14.448  -8.238
  190    HE2  TYR  25           HE2      TYR  25 -14.428  12.362 -11.365
  191    HH   TYR  25           HH       TYR  25 -17.384  12.725  -9.709
  192    H    ASN  26           H        ASN  26 -13.003  16.392  -6.387
  193    HA   ASN  26           HA       ASN  26 -10.748  17.622  -4.877
  194   1HB   ASN  26          2HB       ASN  26 -12.498  19.228  -5.756
  195   2HB   ASN  26          1HB       ASN  26 -13.633  18.468  -4.639
  196   1HD2  ASN  26          2HD2      ASN  26 -12.151  20.015  -1.784
  197   2HD2  ASN  26          1HD2      ASN  26 -13.321  18.909  -2.347
  198    H    GLN  27           H        GLN  27 -11.174  14.953  -4.611
  199    HA   GLN  27           HA       GLN  27 -11.793  14.733  -1.789
  200   1HB   GLN  27          2HB       GLN  27 -14.122  14.671  -2.470
  201   2HB   GLN  27          1HB       GLN  27 -13.806  13.503  -3.738
  202   1HG   GLN  27          2HG       GLN  27 -13.255  11.756  -2.073
  203   2HG   GLN  27          1HG       GLN  27 -13.330  12.924  -0.766
  204   1HE2  GLN  27          2HE2      GLN  27 -16.735  11.232  -2.116
  205   2HE2  GLN  27          1HE2      GLN  27 -15.259  10.915  -2.914
  206    H    GLN  28           H        GLN  28 -11.669  12.605  -4.669
  207    HA   GLN  28           HA       GLN  28  -9.991  10.763  -3.029
  208   1HB   GLN  28          2HB       GLN  28 -10.569   9.151  -5.054
  209   2HB   GLN  28          1HB       GLN  28 -11.816   9.486  -3.883
  210   1HG   GLN  28          2HG       GLN  28 -11.600  11.054  -6.492
  211   2HG   GLN  28          1HG       GLN  28 -12.515   9.571  -6.373
  212   1HE2  GLN  28          2HE2      GLN  28 -14.487  12.788  -5.476
  213   2HE2  GLN  28          1HE2      GLN  28 -13.231  12.677  -6.611
  214    H    GLY  29           H        GLY  29  -8.430   9.395  -4.330
  215   1HA   GLY  29          2HA       GLY  29  -7.007  11.119  -6.288
  216   2HA   GLY  29          1HA       GLY  29  -6.179  10.664  -4.797
  217    H    SER  30           H        SER  30  -4.454   9.774  -6.210
  218    HA   SER  30           HA       SER  30  -5.048   6.959  -6.856
  219   1HB   SER  30          2HB       SER  30  -4.070   7.207  -9.187
  220   2HB   SER  30          1HB       SER  30  -5.580   8.097  -8.952
  221    HG   SER  30           HG       SER  30  -4.508   9.843  -9.353
  222    H    CYS  31           H        CYS  31  -3.180   5.537  -7.317
  223    HA   CYS  31           HA       CYS  31  -0.977   6.319  -5.520
  224   1HB   CYS  31          2HB       CYS  31  -2.224   4.014  -5.756
  225   2HB   CYS  31          1HB       CYS  31  -1.280   3.808  -7.177
  226    H    GLN  32           H        GLN  32  -0.069   8.066  -6.792
  227    HA   GLN  32           HA       GLN  32   1.405   7.168  -9.228
  228   1HB   GLN  32          2HB       GLN  32   0.841  10.018  -8.974
  229   2HB   GLN  32          1HB       GLN  32   0.856   9.010 -10.395
  230   1HG   GLN  32          2HG       GLN  32  -1.429   8.967  -8.376
  231   2HG   GLN  32          1HG       GLN  32  -1.439   9.932  -9.832
  232   1HE2  GLN  32          2HE2      GLN  32  -2.365   7.285 -11.873
  233   2HE2  GLN  32          1HE2      GLN  32  -1.915   8.927 -11.802
  234    H    THR  33           H        THR  33   3.527   7.864  -9.453
  235    HA   THR  33           HA       THR  33   4.573   9.058  -6.961
  236    HB   THR  33           HB       THR  33   5.438   7.124  -7.141
  237    HG1  THR  33           HG1      THR  33   7.324   8.808  -8.400
  238   1HG2  THR  33          3HG2      THR  33   6.235   7.519  -9.961
  239   2HG2  THR  33          2HG2      THR  33   6.700   6.189  -8.874
  240   3HG2  THR  33          1HG2      THR  33   5.004   6.387  -9.315
  241    H    THR  34           H        THR  34   3.572  10.954  -8.430
  242    HA   THR  34           HA       THR  34   5.896  12.357  -9.505
  243    HB   THR  34           HB       THR  34   4.757  11.382 -11.581
  244    HG1  THR  34           HG1      THR  34   3.845  13.844 -11.958
  245   1HG2  THR  34          2HG2      THR  34   2.285  12.873 -10.468
  246   2HG2  THR  34          1HG2      THR  34   2.347  11.958 -11.974
  247   3HG2  THR  34          3HG2      THR  34   2.489  11.135 -10.439
  248    H    ILE  35           H        ILE  35   5.477  14.554  -9.809
  249    HA   ILE  35           HA       ILE  35   4.838  16.653  -9.041
  250    HB   ILE  35           HB       ILE  35   2.374  15.367  -9.162
  251   1HG1  ILE  35          2HG1      ILE  35   1.367  17.593  -8.340
  252   2HG1  ILE  35          1HG1      ILE  35   2.990  18.094  -7.912
  253   1HG2  ILE  35          1HG2      ILE  35   2.455  14.497  -6.757
  254   2HG2  ILE  35          3HG2      ILE  35   2.633  16.138  -6.221
  255   3HG2  ILE  35          2HG2      ILE  35   1.171  15.617  -7.051
  256   1HD1  ILE  35          3HD1      ILE  35   3.694  17.819 -10.319
  257   2HD1  ILE  35          2HD1      ILE  35   2.064  17.308 -10.713
  258   3HD1  ILE  35          1HD1      ILE  35   2.365  18.942 -10.157
  259    H    THR  36           H        THR  36   4.405  14.009  -6.753
  260    HA   THR  36           HA       THR  36   6.484  15.171  -5.004
  261    HB   THR  36           HB       THR  36   3.712  14.348  -3.926
  262    HG1  THR  36           HG1      THR  36   4.692  16.662  -5.037
  263   1HG2  THR  36          3HG2      THR  36   5.949  15.985  -2.615
  264   2HG2  THR  36          2HG2      THR  36   4.439  15.529  -1.869
  265   3HG2  THR  36          1HG2      THR  36   5.635  14.301  -2.232
  266    H    GLY  37           H        GLY  37   6.395  13.063  -6.804
  267   1HA   GLY  37          2HA       GLY  37   6.301  10.565  -5.178
  268   2HA   GLY  37          1HA       GLY  37   6.621  10.680  -6.924
  269    H    LEU  38           H        LEU  38   8.402  12.725  -6.767
  270    HA   LEU  38           HA       LEU  38  10.810  11.158  -6.121
  271   1HB   LEU  38          2HB       LEU  38  10.597  12.175  -8.275
  272   2HB   LEU  38          1HB       LEU  38  10.102  13.684  -7.570
  273    HG   LEU  38           HG       LEU  38  12.445  14.033  -6.677
  274   1HD1  LEU  38          3HD1      LEU  38  13.069  11.398  -8.105
  275   2HD1  LEU  38          2HD1      LEU  38  14.246  12.457  -7.346
  276   3HD1  LEU  38          1HD1      LEU  38  13.059  11.631  -6.364
  277   1HD2  LEU  38          3HD2      LEU  38  11.900  14.873  -8.937
  278   2HD2  LEU  38          2HD2      LEU  38  13.572  14.361  -8.846
  279   3HD2  LEU  38          1HD2      LEU  38  12.389  13.339  -9.641
  280    H    PHE  39           H        PHE  39   8.781  13.177  -4.535
  281    HA   PHE  39           HA       PHE  39  10.935  14.442  -2.888
  282   1HB   PHE  39          2HB       PHE  39   7.932  14.958  -2.821
  283   2HB   PHE  39          1HB       PHE  39   9.169  15.914  -2.045
  284    HD1  PHE  39           HD2      PHE  39  10.912  15.462  -4.911
  285    HD2  PHE  39           HD1      PHE  39   7.211  17.216  -3.716
  286    HE1  PHE  39           HE2      PHE  39  10.975  16.917  -6.853
  287    HE2  PHE  39           HE1      PHE  39   7.278  18.667  -5.668
  288    HZ   PHE  39           HZ       PHE  39   9.164  18.539  -7.250
  289    H    LYS  40           H        LYS  40  10.570  11.634  -2.660
  290    HA   LYS  40           HA       LYS  40   9.613  11.585   0.165
  291   1HB   LYS  40          2HB       LYS  40   7.733  10.784  -1.209
  292   2HB   LYS  40          1HB       LYS  40   8.727   9.597  -2.006
  293   1HG   LYS  40          2HG       LYS  40   8.660   9.517   1.022
  294   2HG   LYS  40          1HG       LYS  40   7.180   9.060   0.197
  295   1HD   LYS  40          2HD       LYS  40   8.225   7.179  -0.882
  296   2HD   LYS  40          1HD       LYS  40   9.820   7.805  -0.668
  297   1HE   LYS  40          2HE       LYS  40   9.564   5.990   0.898
  298   2HE   LYS  40          1HE       LYS  40   9.600   7.476   1.824
  299   1HZ   LYS  40          2HZ       LYS  40   6.931   6.944   1.074
  300   2HZ   LYS  40          1HZ       LYS  40   7.606   5.539   1.755
  301   3HZ   LYS  40          3HZ       LYS  40   7.613   6.985   2.637
  302    H    LYS  41           H        LYS  41  10.898   9.284  -2.146
  303    HA   LYS  41           HA       LYS  41  12.817   7.937  -2.179
  304   1HB   LYS  41          2HB       LYS  41  13.618   9.373   0.405
  305   2HB   LYS  41          1HB       LYS  41  14.560   8.160  -0.407
  306   1HG   LYS  41          2HG       LYS  41  14.573   9.683  -2.491
  307   2HG   LYS  41          1HG       LYS  41  13.757  10.895  -1.523
  308   1HD   LYS  41          2HD       LYS  41  16.117  11.419  -1.468
  309   2HD   LYS  41          1HD       LYS  41  15.665  10.828   0.121
  310   1HE   LYS  41          2HE       LYS  41  16.553   8.514  -0.551
  311   2HE   LYS  41          1HE       LYS  41  17.073   9.209  -2.075
  312   1HZ   LYS  41          1HZ       LYS  41  18.028  10.829   0.008
  313   2HZ   LYS  41          3HZ       LYS  41  18.402   9.223   0.390
  314   3HZ   LYS  41          2HZ       LYS  41  18.935   9.876  -1.070
  315    H    CYS  42           H        CYS  42  12.717   5.789  -1.649
  316    HA   CYS  42           HA       CYS  42  11.795   5.063   1.083
  317   1HB   CYS  42          2HB       CYS  42  10.262   4.728  -1.296
  318   2HB   CYS  42          1HB       CYS  42  11.073   3.205  -1.144
   
  No H/Q in entry =         318
  Start of MODEL    7
    1   1H    CYS   1          1H        CYS   1   1.041  -0.252   0.134
    2   2H    CYS   1          3H        CYS   1   2.451  -0.974   0.757
    3   3H    CYS   1          2H        CYS   1   2.482   0.646   0.240
    4    HA   CYS   1           HA       CYS   1   3.039   0.037  -1.788
    5   1HB   CYS   1          2HB       CYS   1   4.219  -1.722  -0.905
    6   2HB   CYS   1          1HB       CYS   1   2.772  -2.740  -0.791
    7    H    ALA   2           H        ALA   2   1.416   0.673  -3.156
    8    HA   ALA   2           HA       ALA   2  -0.797  -1.198  -3.831
    9   1HB   ALA   2          2HB       ALA   2  -1.690   0.805  -2.510
   10   2HB   ALA   2          1HB       ALA   2  -0.978   1.878  -3.694
   11   3HB   ALA   2          3HB       ALA   2  -2.280   0.809  -4.163
   12    H    LYS   3           H        LYS   3  -1.522  -0.113  -6.243
   13    HA   LYS   3           HA       LYS   3   0.995   0.716  -7.564
   14   1HB   LYS   3          2HB       LYS   3   0.532  -1.843  -7.495
   15   2HB   LYS   3          1HB       LYS   3  -0.739  -1.521  -8.650
   16   1HG   LYS   3          2HG       LYS   3   0.780  -0.704 -10.322
   17   2HG   LYS   3          1HG       LYS   3   2.117  -0.611  -9.195
   18   1HD   LYS   3          2HD       LYS   3   0.735  -3.196 -10.062
   19   2HD   LYS   3          1HD       LYS   3   2.245  -2.592 -10.726
   20   1HE   LYS   3          2HE       LYS   3   3.235  -2.663  -8.360
   21   2HE   LYS   3          1HE       LYS   3   1.774  -3.454  -7.809
   22   1HZ   LYS   3          2HZ       LYS   3   2.688  -4.844 -10.073
   23   2HZ   LYS   3          1HZ       LYS   3   3.992  -4.636  -9.003
   24   3HZ   LYS   3          3HZ       LYS   3   2.576  -5.392  -8.477
   25    H    LYS   4           H        LYS   4   0.740   2.001  -9.233
   26    HA   LYS   4           HA       LYS   4  -1.333   3.738  -9.526
   27   1HB   LYS   4          2HB       LYS   4  -0.351   4.214 -11.817
   28   2HB   LYS   4          1HB       LYS   4   0.747   4.293 -10.463
   29   1HG   LYS   4          2HG       LYS   4   1.637   2.001 -11.060
   30   2HG   LYS   4          1HG       LYS   4   0.499   1.952 -12.399
   31   1HD   LYS   4          2HD       LYS   4   1.603   3.928 -13.455
   32   2HD   LYS   4          1HD       LYS   4   2.542   4.216 -12.017
   33   1HE   LYS   4          2HE       LYS   4   3.901   3.171 -13.831
   34   2HE   LYS   4          1HE       LYS   4   3.883   2.220 -12.357
   35   1HZ   LYS   4          3HZ       LYS   4   1.697   1.437 -13.920
   36   2HZ   LYS   4          2HZ       LYS   4   3.071   1.419 -14.935
   37   3HZ   LYS   4          1HZ       LYS   4   3.067   0.513 -13.507
   38    H    ARG   5           H        ARG   5  -3.265   2.540  -9.448
   39    HA   ARG   5           HA       ARG   5  -4.642   2.145 -11.910
   40   1HB   ARG   5          2HB       ARG   5  -3.209  -0.149 -11.567
   41   2HB   ARG   5          1HB       ARG   5  -4.386  -0.468 -10.324
   42   1HG   ARG   5          2HG       ARG   5  -5.149  -1.505 -12.421
   43   2HG   ARG   5          1HG       ARG   5  -6.253  -0.251 -11.916
   44   1HD   ARG   5          2HD       ARG   5  -5.606  -0.215 -14.416
   45   2HD   ARG   5          1HD       ARG   5  -5.472   1.315 -13.596
   46    HE   ARG   5           HE       ARG   5  -2.979   0.834 -13.343
   47   1HH1  ARG   5          2HH1      ARG   5  -3.832  -1.978 -14.341
   48   2HH1  ARG   5          1HH1      ARG   5  -3.070  -2.077 -15.882
   49   1HH2  ARG   5          1HH2      ARG   5  -2.505   1.449 -15.831
   50   2HH2  ARG   5          2HH2      ARG   5  -2.255   0.053 -16.793
   51    H    ASN   6           H        ASN   6  -4.287   1.111  -8.650
   52    HA   ASN   6           HA       ASN   6  -7.118   1.929  -7.901
   53   1HB   ASN   6          2HB       ASN   6  -5.145   0.050  -6.471
   54   2HB   ASN   6          1HB       ASN   6  -6.721   0.524  -5.849
   55   1HD2  ASN   6          2HD2      ASN   6  -6.636  -2.669  -8.091
   56   2HD2  ASN   6          1HD2      ASN   6  -5.299  -2.071  -7.229
   57    H    TRP   7           H        TRP   7  -7.145   2.896  -5.800
   58    HA   TRP   7           HA       TRP   7  -4.700   4.591  -5.620
   59   1HB   TRP   7          2HB       TRP   7  -6.130   6.289  -4.787
   60   2HB   TRP   7          1HB       TRP   7  -6.769   5.714  -6.326
   61    HD1  TRP   7           HD1      TRP   7  -7.478   4.405  -2.845
   62    HE1  TRP   7           HE1      TRP   7  -9.942   4.653  -2.334
   63    HE3  TRP   7           HE3      TRP   7  -8.801   6.537  -7.115
   64    HZ2  TRP   7           HZ2      TRP   7 -12.140   5.587  -3.608
   65    HZ3  TRP   7           HZ3      TRP   7 -11.187   7.128  -7.509
   66    HH2  TRP   7           HH2      TRP   7 -12.873   6.643  -5.749
   67    H    CYS   8           H        CYS   8  -4.431   5.618  -3.652
   68    HA   CYS   8           HA       CYS   8  -4.422   3.671  -1.396
   69   1HB   CYS   8          2HB       CYS   8  -2.590   5.589  -0.783
   70   2HB   CYS   8          1HB       CYS   8  -2.221   4.205  -1.777
   71    H    GLY   9           H        GLY   9  -5.929   6.387  -2.575
   72   1HA   GLY   9          2HA       GLY   9  -7.713   7.641  -1.623
   73   2HA   GLY   9          1HA       GLY   9  -7.349   6.928  -0.047
   74    H    LYS  10           H        LYS  10  -5.093   7.414   0.677
   75    HA   LYS  10           HA       LYS  10  -4.211  10.220   0.156
   76   1HB   LYS  10          2HB       LYS  10  -3.825  10.476   2.614
   77   2HB   LYS  10          1HB       LYS  10  -5.490   9.932   2.444
   78   1HG   LYS  10          2HG       LYS  10  -5.036   7.765   3.281
   79   2HG   LYS  10          1HG       LYS  10  -3.470   7.728   2.594
   80   1HD   LYS  10          2HD       LYS  10  -2.750   7.863   4.691
   81   2HD   LYS  10          1HD       LYS  10  -2.881   9.553   4.438
   82   1HE   LYS  10          2HE       LYS  10  -5.082   7.766   5.665
   83   2HE   LYS  10          1HE       LYS  10  -3.938   8.684   6.613
   84   1HZ   LYS  10          3HZ       LYS  10  -5.104  10.371   4.719
   85   2HZ   LYS  10          2HZ       LYS  10  -6.353   9.469   5.450
   86   3HZ   LYS  10          1HZ       LYS  10  -5.301  10.389   6.416
   87    H    ASN  11           H        ASN  11  -1.993  10.330   1.315
   88    HA   ASN  11           HA       ASN  11  -0.432   8.401  -0.222
   89   1HB   ASN  11          2HB       ASN  11   0.003  10.986   0.424
   90   2HB   ASN  11          1HB       ASN  11   0.763  10.270   1.820
   91   1HD2  ASN  11          2HD2      ASN  11   2.954   8.660  -1.012
   92   2HD2  ASN  11          1HD2      ASN  11   1.575   7.932  -0.333
   93    H    GLU  12           H        GLU  12  -1.883   6.892   1.538
   94    HA   GLU  12           HA       GLU  12  -0.223   6.362   3.903
   95   1HB   GLU  12          2HB       GLU  12  -3.002   6.006   3.273
   96   2HB   GLU  12          1HB       GLU  12  -2.383   4.421   3.519
   97   1HG   GLU  12          2HG       GLU  12  -1.840   4.661   5.684
   98   2HG   GLU  12          1HG       GLU  12  -1.582   6.390   5.626
   99    H    ASP  13           H        ASP  13  -1.620   3.871   1.776
  100    HA   ASP  13           HA       ASP  13   0.956   2.411   2.113
  101   1HB   ASP  13          2HB       ASP  13  -1.866   1.331   1.890
  102   2HB   ASP  13          1HB       ASP  13  -0.442   0.321   1.900
  103    H    CYS  14           H        CYS  14   1.211   3.903  -0.085
  104    HA   CYS  14           HA       CYS  14   0.643   2.180  -2.506
  105   1HB   CYS  14          2HB       CYS  14   0.390   4.775  -2.459
  106   2HB   CYS  14          1HB       CYS  14   2.145   4.757  -2.532
  107    H    CYS  15           H        CYS  15   2.528   1.962  -3.912
  108    HA   CYS  15           HA       CYS  15   4.879   1.008  -2.343
  109   1HB   CYS  15          2HB       CYS  15   3.227  -0.214  -4.231
  110   2HB   CYS  15          1HB       CYS  15   4.530   0.312  -5.200
  111    H    CYS  16           H        CYS  16   6.146   2.606  -2.220
  112    HA   CYS  16           HA       CYS  16   6.455   4.955  -3.463
  113   1HB   CYS  16          2HB       CYS  16   8.600   3.160  -2.466
  114   2HB   CYS  16          1HB       CYS  16   8.800   4.868  -2.738
  115    HA   PRO  17           HA       PRO  17   7.700   6.479  -3.800
  116   1HB   PRO  17          2HB       PRO  17   8.827   8.380  -5.166
  117   2HB   PRO  17          1HB       PRO  17   9.839   6.999  -4.675
  118   1HG   PRO  17          2HG       PRO  17   8.422   7.422  -7.380
  119   2HG   PRO  17          1HG       PRO  17  10.118   7.036  -7.110
  120   1HD   PRO  17          2HD       PRO  17   8.162   5.061  -7.559
  121   2HD   PRO  17          1HD       PRO  17   9.666   4.753  -6.679
  122    H    MET  18           H        MET  18   5.487   6.290  -3.873
  123    HA   MET  18           HA       MET  18   4.050   7.895  -5.951
  124   1HB   MET  18          2HB       MET  18   3.694   5.325  -5.109
  125   2HB   MET  18          1HB       MET  18   2.444   6.177  -4.252
  126   1HG   MET  18          2HG       MET  18   1.330   5.750  -6.123
  127   2HG   MET  18          1HG       MET  18   1.961   7.305  -6.560
  128   1HE   MET  18          1HE       MET  18   2.797   3.917  -6.080
  129   2HE   MET  18          3HE       MET  18   2.509   3.193  -7.619
  130   3HE   MET  18          2HE       MET  18   4.169   3.621  -7.083
  131    H    LYS  19           H        LYS  19   2.415   9.189  -5.459
  132    HA   LYS  19           HA       LYS  19   2.069   9.872  -2.526
  133   1HB   LYS  19          2HB       LYS  19   3.368  11.610  -4.135
  134   2HB   LYS  19          1HB       LYS  19   1.768  11.937  -4.759
  135   1HG   LYS  19          2HG       LYS  19   2.747  12.283  -1.885
  136   2HG   LYS  19          1HG       LYS  19   2.304  13.566  -2.967
  137   1HD   LYS  19          2HD       LYS  19  -0.102  12.554  -2.973
  138   2HD   LYS  19          1HD       LYS  19   0.462  11.533  -1.668
  139   1HE   LYS  19          2HE       LYS  19  -0.713  13.431  -0.727
  140   2HE   LYS  19          1HE       LYS  19   0.980  13.452  -0.253
  141   1HZ   LYS  19          3HZ       LYS  19   0.732  14.788  -2.696
  142   2HZ   LYS  19          2HZ       LYS  19  -0.460  15.413  -1.670
  143   3HZ   LYS  19          1HZ       LYS  19   1.181  15.430  -1.193
  144    H    CYS  20           H        CYS  20  -0.474  10.060  -2.117
  145    HA   CYS  20           HA       CYS  20  -1.780   8.871  -4.422
  146   1HB   CYS  20          2HB       CYS  20  -2.159   8.751  -1.731
  147   2HB   CYS  20          1HB       CYS  20  -3.464   9.843  -2.156
  148    H    ILE  21           H        ILE  21  -2.764  10.073  -5.906
  149    HA   ILE  21           HA       ILE  21  -2.842  13.007  -5.676
  150    HB   ILE  21           HB       ILE  21  -3.457  11.403  -8.165
  151   1HG1  ILE  21          2HG1      ILE  21  -1.414  10.387  -7.564
  152   2HG1  ILE  21          1HG1      ILE  21  -1.105  11.681  -8.733
  153   1HG2  ILE  21          1HG2      ILE  21  -2.197  14.141  -7.788
  154   2HG2  ILE  21          3HG2      ILE  21  -2.426  13.320  -9.318
  155   3HG2  ILE  21          2HG2      ILE  21  -3.820  13.804  -8.397
  156   1HD1  ILE  21          1HD1      ILE  21  -0.433  13.140  -7.110
  157   2HD1  ILE  21          3HD1      ILE  21  -0.643  12.039  -5.769
  158   3HD1  ILE  21          2HD1      ILE  21   0.601  11.723  -6.970
  159    H    TYR  22           H        TYR  22  -4.526  14.037  -6.683
  160    HA   TYR  22           HA       TYR  22  -7.229  12.861  -6.229
  161   1HB   TYR  22          2HB       TYR  22  -6.159  15.647  -5.645
  162   2HB   TYR  22          1HB       TYR  22  -7.781  15.069  -5.202
  163    HD1  TYR  22           HD1      TYR  22  -7.878  12.959  -3.652
  164    HD2  TYR  22           HD2      TYR  22  -4.293  15.133  -4.351
  165    HE1  TYR  22           HE1      TYR  22  -6.813  11.791  -1.784
  166    HE2  TYR  22           HE2      TYR  22  -3.242  13.997  -2.510
  167    HH   TYR  22           HH       TYR  22  -3.511  11.790  -1.420
  168    H    ALA  23           H        ALA  23  -5.532  15.406  -7.908
  169    HA   ALA  23           HA       ALA  23  -5.571  15.722 -10.324
  170   1HB   ALA  23          3HB       ALA  23  -7.618  14.168 -10.698
  171   2HB   ALA  23          2HB       ALA  23  -8.635  15.412  -9.996
  172   3HB   ALA  23          1HB       ALA  23  -7.813  15.692 -11.523
  173    H    TRP  24           H        TRP  24  -7.715  17.511 -11.064
  174    HA   TRP  24           HA       TRP  24  -7.133  19.821  -9.246
  175   1HB   TRP  24          2HB       TRP  24  -7.898  21.209 -11.181
  176   2HB   TRP  24          1HB       TRP  24  -6.808  20.007 -11.860
  177    HD1  TRP  24           HD1      TRP  24  -8.007  18.156 -13.566
  178    HE1  TRP  24           HE1      TRP  24 -10.361  17.834 -14.371
  179    HE3  TRP  24           HE3      TRP  24 -10.229  21.491 -10.549
  180    HZ2  TRP  24           HZ2      TRP  24 -12.886  18.870 -13.769
  181    HZ3  TRP  24           HZ3      TRP  24 -12.627  21.814 -10.659
  182    HH2  TRP  24           HH2      TRP  24 -13.996  20.503 -12.291
  183    H    TYR  25           H        TYR  25  -9.448  17.688 -10.496
  184    HA   TYR  25           HA       TYR  25 -11.864  18.881  -9.506
  185   1HB   TYR  25          2HB       TYR  25 -11.915  17.394 -11.447
  186   2HB   TYR  25          1HB       TYR  25 -11.163  16.095 -10.542
  187    HD1  TYR  25           HD1      TYR  25 -14.197  18.329 -10.394
  188    HD2  TYR  25           HD2      TYR  25 -12.521  14.495  -9.578
  189    HE1  TYR  25           HE1      TYR  25 -16.384  17.515  -9.628
  190    HE2  TYR  25           HE2      TYR  25 -14.702  13.710  -8.822
  191    HH   TYR  25           HH       TYR  25 -16.806  14.946  -7.793
  192    H    ASN  26           H        ASN  26 -13.256  17.386  -7.980
  193    HA   ASN  26           HA       ASN  26 -11.595  16.691  -5.591
  194   1HB   ASN  26          2HB       ASN  26 -13.293  18.553  -5.316
  195   2HB   ASN  26          1HB       ASN  26 -14.560  17.399  -5.699
  196   1HD2  ASN  26          2HD2      ASN  26 -13.089  15.799  -2.414
  197   2HD2  ASN  26          1HD2      ASN  26 -12.491  15.423  -3.943
  198    H    GLN  27           H        GLN  27 -11.133  14.619  -6.121
  199    HA   GLN  27           HA       GLN  27 -13.411  12.682  -6.214
  200   1HB   GLN  27          2HB       GLN  27 -11.417  13.087  -8.217
  201   2HB   GLN  27          1HB       GLN  27 -10.767  11.758  -7.312
  202   1HG   GLN  27          2HG       GLN  27 -13.532  11.832  -8.635
  203   2HG   GLN  27          1HG       GLN  27 -12.151  10.887  -9.149
  204   1HE2  GLN  27          2HE2      GLN  27 -14.579   9.273  -6.450
  205   2HE2  GLN  27          1HE2      GLN  27 -15.011  10.640  -7.364
  206    H    GLN  28           H        GLN  28 -11.373  10.529  -5.868
  207    HA   GLN  28           HA       GLN  28 -10.790  11.020  -2.991
  208   1HB   GLN  28          2HB       GLN  28 -12.288   9.015  -3.979
  209   2HB   GLN  28          1HB       GLN  28 -10.731   8.318  -4.377
  210   1HG   GLN  28          2HG       GLN  28 -10.213   7.869  -2.126
  211   2HG   GLN  28          1HG       GLN  28 -11.008   9.325  -1.540
  212   1HE2  GLN  28          2HE2      GLN  28 -13.010   6.008  -1.076
  213   2HE2  GLN  28          1HE2      GLN  28 -11.314   6.122  -1.110
  214    H    GLY  29           H        GLY  29  -8.751   8.626  -3.276
  215   1HA   GLY  29          2HA       GLY  29  -6.639  10.467  -4.294
  216   2HA   GLY  29          1HA       GLY  29  -6.349   9.117  -3.242
  217    H    SER  30           H        SER  30  -4.546   8.919  -4.888
  218    HA   SER  30           HA       SER  30  -5.062   6.603  -6.484
  219   1HB   SER  30          2HB       SER  30  -4.555   7.699  -8.758
  220   2HB   SER  30          1HB       SER  30  -6.126   8.162  -8.079
  221    HG   SER  30           HG       SER  30  -4.896   9.859  -6.959
  222    H    CYS  31           H        CYS  31  -3.226   5.480  -6.857
  223    HA   CYS  31           HA       CYS  31  -0.789   6.550  -5.774
  224   1HB   CYS  31          2HB       CYS  31  -1.601   4.027  -7.182
  225   2HB   CYS  31          1HB       CYS  31   0.092   4.369  -7.077
  226    H    GLN  32           H        GLN  32  -0.012   8.454  -7.014
  227    HA   GLN  32           HA       GLN  32   0.833   7.642  -9.786
  228   1HB   GLN  32          2HB       GLN  32   0.212  10.462  -9.079
  229   2HB   GLN  32          1HB       GLN  32   0.493   9.806 -10.647
  230   1HG   GLN  32          2HG       GLN  32  -1.941   8.652  -9.348
  231   2HG   GLN  32          1HG       GLN  32  -2.089  10.287  -9.923
  232   1HE2  GLN  32          2HE2      GLN  32  -2.424   9.318 -13.266
  233   2HE2  GLN  32          1HE2      GLN  32  -2.629  10.528 -12.076
  234    H    THR  33           H        THR  33   2.822   8.148 -10.343
  235    HA   THR  33           HA       THR  33   4.429   8.757  -8.088
  236    HB   THR  33           HB       THR  33   6.078   8.750 -10.547
  237    HG1  THR  33           HG1      THR  33   4.796   6.520 -10.936
  238   1HG2  THR  33          2HG2      THR  33   5.248   6.601  -8.628
  239   2HG2  THR  33          1HG2      THR  33   6.676   6.602  -9.715
  240   3HG2  THR  33          3HG2      THR  33   6.525   7.812  -8.453
  241    H    THR  34           H        THR  34   3.196  11.001  -8.120
  242    HA   THR  34           HA       THR  34   5.257  12.711  -9.108
  243    HB   THR  34           HB       THR  34   3.709  12.538 -11.147
  244    HG1  THR  34           HG1      THR  34   4.017  14.628 -11.403
  245   1HG2  THR  34          2HG2      THR  34   1.629  13.668  -9.190
  246   2HG2  THR  34          1HG2      THR  34   1.350  13.301 -10.890
  247   3HG2  THR  34          3HG2      THR  34   1.679  12.006  -9.750
  248    H    ILE  35           H        ILE  35   4.698  14.970  -8.838
  249    HA   ILE  35           HA       ILE  35   4.305  16.819  -7.480
  250    HB   ILE  35           HB       ILE  35   2.003  15.343  -6.946
  251   1HG1  ILE  35          2HG1      ILE  35   1.369  17.234  -5.311
  252   2HG1  ILE  35          1HG1      ILE  35   3.026  17.799  -5.424
  253   1HG2  ILE  35          1HG2      ILE  35   3.021  14.010  -5.040
  254   2HG2  ILE  35          3HG2      ILE  35   3.380  15.505  -4.228
  255   3HG2  ILE  35          2HG2      ILE  35   1.713  15.040  -4.556
  256   1HD1  ILE  35          1HD1      ILE  35   1.098  17.506  -7.779
  257   2HD1  ILE  35          3HD1      ILE  35   1.550  19.010  -7.001
  258   3HD1  ILE  35          2HD1      ILE  35   2.741  18.106  -7.904
  259    H    THR  36           H        THR  36   4.649  13.766  -5.840
  260    HA   THR  36           HA       THR  36   7.308  14.466  -4.803
  261    HB   THR  36           HB       THR  36   5.055  13.535  -2.890
  262    HG1  THR  36           HG1      THR  36   5.808  16.048  -3.890
  263   1HG2  THR  36          2HG2      THR  36   7.715  15.006  -2.387
  264   2HG2  THR  36          1HG2      THR  36   6.600  14.406  -1.169
  265   3HG2  THR  36          3HG2      THR  36   7.513  13.280  -2.160
  266    H    GLY  37           H        GLY  37   6.409  12.816  -6.878
  267   1HA   GLY  37          2HA       GLY  37   6.650  10.080  -5.682
  268   2HA   GLY  37          1HA       GLY  37   5.870  10.411  -7.218
  269    H    LEU  38           H        LEU  38   8.777  11.793  -6.117
  270    HA   LEU  38           HA       LEU  38  10.483   9.973  -7.682
  271   1HB   LEU  38          2HB       LEU  38   9.711  11.426  -9.432
  272   2HB   LEU  38          1HB       LEU  38   9.936  12.864  -8.475
  273    HG   LEU  38           HG       LEU  38  12.458  12.458  -8.579
  274   1HD1  LEU  38          1HD1      LEU  38  11.670  10.169 -10.454
  275   2HD1  LEU  38          3HD1      LEU  38  13.307  10.726 -10.158
  276   3HD1  LEU  38          2HD1      LEU  38  12.402   9.966  -8.872
  277   1HD2  LEU  38          3HD2      LEU  38  11.341  13.898 -10.281
  278   2HD2  LEU  38          2HD2      LEU  38  12.699  13.027 -10.970
  279   3HD2  LEU  38          1HD2      LEU  38  11.061  12.487 -11.287
  280    H    PHE  39           H        PHE  39  10.563  13.235  -6.427
  281    HA   PHE  39           HA       PHE  39  13.143  12.726  -5.047
  282   1HB   PHE  39          2HB       PHE  39  12.731  15.310  -4.483
  283   2HB   PHE  39          1HB       PHE  39  13.188  14.871  -6.120
  284    HD1  PHE  39           HD1      PHE  39  11.510  14.818  -7.920
  285    HD2  PHE  39           HD2      PHE  39  10.425  16.033  -3.984
  286    HE1  PHE  39           HE1      PHE  39   9.393  15.715  -8.782
  287    HE2  PHE  39           HE2      PHE  39   8.316  16.937  -4.853
  288    HZ   PHE  39           HZ       PHE  39   7.795  16.780  -7.241
  289    H    LYS  40           H        LYS  40  11.447  11.160  -4.107
  290    HA   LYS  40           HA       LYS  40  10.569  12.193  -1.453
  291   1HB   LYS  40          2HB       LYS  40   8.574  11.634  -2.845
  292   2HB   LYS  40          1HB       LYS  40   9.286  10.119  -3.305
  293   1HG   LYS  40          2HG       LYS  40   7.545   9.694  -1.668
  294   2HG   LYS  40          1HG       LYS  40   9.092   9.273  -0.979
  295   1HD   LYS  40          2HD       LYS  40   9.079  11.438   0.338
  296   2HD   LYS  40          1HD       LYS  40   7.641  11.937  -0.511
  297   1HE   LYS  40          2HE       LYS  40   7.042  11.071   1.719
  298   2HE   LYS  40          1HE       LYS  40   6.353  10.060   0.461
  299   1HZ   LYS  40          2HZ       LYS  40   8.923   9.062   1.033
  300   2HZ   LYS  40          1HZ       LYS  40   8.167   9.292   2.499
  301   3HZ   LYS  40          3HZ       LYS  40   7.456   8.313   1.325
  302    H    LYS  41           H        LYS  41  11.042  10.714   0.239
  303    HA   LYS  41           HA       LYS  41  12.964   8.568  -0.553
  304   1HB   LYS  41          2HB       LYS  41  14.093  10.255   0.863
  305   2HB   LYS  41          1HB       LYS  41  12.755  10.289   1.985
  306   1HG   LYS  41          2HG       LYS  41  14.664   9.024   2.920
  307   2HG   LYS  41          1HG       LYS  41  13.253   8.009   2.760
  308   1HD   LYS  41          2HD       LYS  41  14.279   7.150   0.519
  309   2HD   LYS  41          1HD       LYS  41  15.677   8.122   0.886
  310   1HE   LYS  41          2HE       LYS  41  15.952   5.710   1.504
  311   2HE   LYS  41          1HE       LYS  41  16.175   6.795   2.870
  312   1HZ   LYS  41          3HZ       LYS  41  13.426   6.080   2.760
  313   2HZ   LYS  41          2HZ       LYS  41  14.210   4.717   2.529
  314   3HZ   LYS  41          1HZ       LYS  41  14.520   5.615   3.934
  315    H    CYS  42           H        CYS  42  12.454   6.521   0.088
  316    HA   CYS  42           HA       CYS  42  10.038   6.089   1.789
  317   1HB   CYS  42          2HB       CYS  42   9.881   5.462  -0.787
  318   2HB   CYS  42          1HB       CYS  42  11.086   4.247  -0.470
   
  No H/Q in entry =         318
  Start of MODEL    8
    1   1H    CYS   1          2H        CYS   1   0.261  -0.472   0.905
    2   2H    CYS   1          1H        CYS   1   1.754  -0.913   1.544
    3   3H    CYS   1          3H        CYS   1   1.196   0.679   1.630
    4    HA   CYS   1           HA       CYS   1   2.205   1.141  -0.364
    5   1HB   CYS   1          2HB       CYS   1   4.033  -0.149  -0.506
    6   2HB   CYS   1          1HB       CYS   1   3.312  -1.433   0.399
    7    H    ALA   2           H        ALA   2   1.010   1.531  -2.290
    8    HA   ALA   2           HA       ALA   2  -0.675  -0.651  -3.435
    9   1HB   ALA   2          1HB       ALA   2  -2.163   1.064  -2.275
   10   2HB   ALA   2          3HB       ALA   2  -1.472   2.318  -3.281
   11   3HB   ALA   2          2HB       ALA   2  -2.427   1.038  -4.006
   12    H    LYS   3           H        LYS   3  -1.298   0.163  -5.770
   13    HA   LYS   3           HA       LYS   3   1.130   1.396  -7.000
   14   1HB   LYS   3          2HB       LYS   3   0.867  -0.220  -8.859
   15   2HB   LYS   3          1HB       LYS   3   1.129  -1.014  -7.322
   16   1HG   LYS   3          2HG       LYS   3  -1.692  -0.870  -7.453
   17   2HG   LYS   3          1HG       LYS   3  -1.268  -1.087  -9.131
   18   1HD   LYS   3          2HD       LYS   3  -0.352  -2.879  -6.842
   19   2HD   LYS   3          1HD       LYS   3  -1.668  -3.249  -7.943
   20   1HE   LYS   3          2HE       LYS   3  -0.106  -3.299  -9.871
   21   2HE   LYS   3          1HE       LYS   3   1.229  -2.838  -8.839
   22   1HZ   LYS   3          1HZ       LYS   3   0.010  -5.132  -7.712
   23   2HZ   LYS   3          3HZ       LYS   3   0.295  -5.445  -9.351
   24   3HZ   LYS   3          2HZ       LYS   3   1.549  -4.958  -8.343
   25    H    LYS   4           H        LYS   4   0.886   2.646  -8.789
   26    HA   LYS   4           HA       LYS   4  -1.333   4.283  -8.855
   27   1HB   LYS   4          2HB       LYS   4   0.933   4.887  -9.786
   28   2HB   LYS   4          1HB       LYS   4   0.688   3.864 -11.164
   29   1HG   LYS   4          2HG       LYS   4  -1.245   6.157 -10.491
   30   2HG   LYS   4          1HG       LYS   4   0.247   6.472 -11.309
   31   1HD   LYS   4          2HD       LYS   4  -2.029   4.743 -12.407
   32   2HD   LYS   4          1HD       LYS   4  -1.733   6.409 -12.788
   33   1HE   LYS   4          2HE       LYS   4  -0.672   5.298 -14.592
   34   2HE   LYS   4          1HE       LYS   4   0.649   5.723 -13.518
   35   1HZ   LYS   4          1HZ       LYS   4  -0.421   3.233 -12.721
   36   2HZ   LYS   4          3HZ       LYS   4  -0.124   3.153 -14.360
   37   3HZ   LYS   4          2HZ       LYS   4   1.143   3.567 -13.303
   38    H    ARG   5           H        ARG   5  -3.282   3.632  -9.398
   39    HA   ARG   5           HA       ARG   5  -4.675   3.365 -11.612
   40   1HB   ARG   5          2HB       ARG   5  -3.220   1.469 -12.556
   41   2HB   ARG   5          1HB       ARG   5  -3.591   0.495 -11.141
   42   1HG   ARG   5          2HG       ARG   5  -6.045   0.674 -11.749
   43   2HG   ARG   5          1HG       ARG   5  -5.604   1.622 -13.147
   44   1HD   ARG   5          2HD       ARG   5  -4.360  -0.319 -14.074
   45   2HD   ARG   5          1HD       ARG   5  -4.792  -1.280 -12.654
   46    HE   ARG   5           HE       ARG   5  -6.833  -0.052 -14.490
   47   1HH1  ARG   5          2HH1      ARG   5  -7.396  -1.273 -11.736
   48   2HH1  ARG   5          1HH1      ARG   5  -8.106  -2.780 -12.166
   49   1HH2  ARG   5          1HH2      ARG   5  -6.802  -2.486 -15.486
   50   2HH2  ARG   5          2HH2      ARG   5  -7.712  -3.544 -14.482
   51    H    ASN   6           H        ASN   6  -3.844   1.261  -8.960
   52    HA   ASN   6           HA       ASN   6  -6.706   1.241  -8.035
   53   1HB   ASN   6          2HB       ASN   6  -4.378  -0.688  -7.882
   54   2HB   ASN   6          1HB       ASN   6  -5.339  -0.552  -6.421
   55   1HD2  ASN   6          2HD2      ASN   6  -8.052  -2.327  -7.765
   56   2HD2  ASN   6          1HD2      ASN   6  -7.366  -1.543  -6.417
   57    H    TRP   7           H        TRP   7  -6.424   3.341  -7.562
   58    HA   TRP   7           HA       TRP   7  -4.362   4.591  -6.259
   59   1HB   TRP   7          2HB       TRP   7  -5.952   6.279  -5.497
   60   2HB   TRP   7          1HB       TRP   7  -6.422   5.777  -7.110
   61    HD1  TRP   7           HD1      TRP   7  -7.390   4.493  -3.609
   62    HE1  TRP   7           HE1      TRP   7  -9.895   4.440  -3.427
   63    HE3  TRP   7           HE3      TRP   7  -8.453   6.251  -8.197
   64    HZ2  TRP   7           HZ2      TRP   7 -12.029   5.040  -5.005
   65    HZ3  TRP   7           HZ3      TRP   7 -10.823   6.509  -8.850
   66    HH2  TRP   7           HH2      TRP   7 -12.621   5.896  -7.256
   67    H    CYS   8           H        CYS   8  -4.414   5.608  -4.264
   68    HA   CYS   8           HA       CYS   8  -4.555   3.667  -2.013
   69   1HB   CYS   8          2HB       CYS   8  -3.077   5.820  -1.188
   70   2HB   CYS   8          1HB       CYS   8  -2.398   4.463  -2.056
   71    H    GLY   9           H        GLY   9  -5.796   6.562  -3.376
   72   1HA   GLY   9          2HA       GLY   9  -7.937   7.497  -2.772
   73   2HA   GLY   9          1HA       GLY   9  -7.767   6.803  -1.162
   74    H    LYS  10           H        LYS  10  -5.273   7.447  -0.625
   75    HA   LYS  10           HA       LYS  10  -4.673  10.262  -0.845
   76   1HB   LYS  10          2HB       LYS  10  -4.826  10.610   1.667
   77   2HB   LYS  10          1HB       LYS  10  -6.387  10.128   1.049
   78   1HG   LYS  10          2HG       LYS  10  -4.327   8.036   2.013
   79   2HG   LYS  10          1HG       LYS  10  -5.274   8.873   3.157
   80   1HD   LYS  10          2HD       LYS  10  -6.438   7.206   0.841
   81   2HD   LYS  10          1HD       LYS  10  -6.092   6.534   2.373
   82   1HE   LYS  10          2HE       LYS  10  -7.849   9.001   2.172
   83   2HE   LYS  10          1HE       LYS  10  -8.520   7.390   1.981
   84   1HZ   LYS  10          1HZ       LYS  10  -6.858   7.230   4.174
   85   2HZ   LYS  10          3HZ       LYS  10  -7.597   8.669   4.406
   86   3HZ   LYS  10          2HZ       LYS  10  -8.516   7.238   4.242
   87    H    ASN  11           H        ASN  11  -3.021  10.716   0.950
   88    HA   ASN  11           HA       ASN  11  -0.763   9.200   0.041
   89   1HB   ASN  11          2HB       ASN  11  -0.864  11.721   0.684
   90   2HB   ASN  11          1HB       ASN  11  -0.794  11.186   2.353
   91   1HD2  ASN  11          2HD2      ASN  11   2.644  10.104   2.057
   92   2HD2  ASN  11          1HD2      ASN  11   1.213   9.692   2.868
   93    H    GLU  12           H        GLU  12  -2.404   7.331   1.314
   94    HA   GLU  12           HA       GLU  12  -1.026   6.907   3.953
   95   1HB   GLU  12          2HB       GLU  12  -3.691   5.949   2.855
   96   2HB   GLU  12          1HB       GLU  12  -2.964   5.249   4.284
   97   1HG   GLU  12          2HG       GLU  12  -2.951   7.325   5.468
   98   2HG   GLU  12          1HG       GLU  12  -3.369   8.285   4.066
   99    H    ASP  13           H        ASP  13  -2.241   4.829   1.299
  100    HA   ASP  13           HA       ASP  13   0.118   3.095   1.882
  101   1HB   ASP  13          2HB       ASP  13  -2.744   2.404   1.478
  102   2HB   ASP  13          1HB       ASP  13  -1.636   1.374   0.596
  103    H    CYS  14           H        CYS  14   1.460   4.203   0.393
  104    HA   CYS  14           HA       CYS  14   0.946   3.459  -2.480
  105   1HB   CYS  14          2HB       CYS  14   1.968   5.930  -1.179
  106   2HB   CYS  14          1HB       CYS  14   2.916   5.394  -2.534
  107    H    CYS  15           H        CYS  15   2.582   2.468  -3.609
  108    HA   CYS  15           HA       CYS  15   4.727   1.320  -1.875
  109   1HB   CYS  15          2HB       CYS  15   3.028   0.206  -3.782
  110   2HB   CYS  15          1HB       CYS  15   4.439   0.542  -4.732
  111    H    CYS  16           H        CYS  16   5.245   3.443  -1.737
  112    HA   CYS  16           HA       CYS  16   6.106   5.323  -3.529
  113   1HB   CYS  16          2HB       CYS  16   7.951   5.820  -1.725
  114   2HB   CYS  16          1HB       CYS  16   6.259   6.019  -1.379
  115    HA   PRO  17           HA       PRO  17   7.629   6.860  -3.499
  116   1HB   PRO  17          2HB       PRO  17   8.979   8.342  -5.137
  117   2HB   PRO  17          1HB       PRO  17   9.873   7.227  -4.076
  118   1HG   PRO  17          2HG       PRO  17   9.072   6.776  -7.019
  119   2HG   PRO  17          1HG       PRO  17  10.658   6.523  -6.290
  120   1HD   PRO  17          2HD       PRO  17   8.630   4.506  -6.519
  121   2HD   PRO  17          1HD       PRO  17  10.021   4.384  -5.434
  122    H    MET  18           H        MET  18   5.664   7.381  -3.722
  123    HA   MET  18           HA       MET  18   4.497   8.320  -6.206
  124   1HB   MET  18          2HB       MET  18   4.473   5.653  -5.879
  125   2HB   MET  18          1HB       MET  18   3.110   6.044  -4.864
  126   1HG   MET  18          2HG       MET  18   2.071   7.224  -6.672
  127   2HG   MET  18          1HG       MET  18   3.445   6.925  -7.721
  128   1HE   MET  18          2HE       MET  18   4.211   4.198  -7.276
  129   2HE   MET  18          1HE       MET  18   3.119   3.822  -5.911
  130   3HE   MET  18          3HE       MET  18   3.016   2.913  -7.428
  131    H    LYS  19           H        LYS  19   2.420   9.162  -5.703
  132    HA   LYS  19           HA       LYS  19   1.897   9.577  -2.762
  133   1HB   LYS  19          2HB       LYS  19   3.210  11.503  -4.149
  134   2HB   LYS  19          1HB       LYS  19   1.594  11.894  -4.689
  135   1HG   LYS  19          2HG       LYS  19   2.046  11.502  -1.757
  136   2HG   LYS  19          1HG       LYS  19   2.721  12.918  -2.449
  137   1HD   LYS  19          2HD       LYS  19   0.247  13.454  -3.301
  138   2HD   LYS  19          1HD       LYS  19  -0.235  12.143  -2.270
  139   1HE   LYS  19          2HE       LYS  19  -0.361  14.376  -1.103
  140   2HE   LYS  19          1HE       LYS  19   0.626  13.222  -0.248
  141   1HZ   LYS  19          3HZ       LYS  19   2.174  14.638  -2.152
  142   2HZ   LYS  19          2HZ       LYS  19   1.391  15.730  -1.118
  143   3HZ   LYS  19          1HZ       LYS  19   2.402  14.527  -0.472
  144    H    CYS  20           H        CYS  20  -0.637  10.237  -2.509
  145    HA   CYS  20           HA       CYS  20  -1.895   8.884  -4.806
  146   1HB   CYS  20          2HB       CYS  20  -2.308   8.890  -2.180
  147   2HB   CYS  20          1HB       CYS  20  -3.506  10.085  -2.604
  148    H    ILE  21           H        ILE  21  -2.976   9.931  -6.325
  149    HA   ILE  21           HA       ILE  21  -2.934  12.885  -6.352
  150    HB   ILE  21           HB       ILE  21  -3.067  10.758  -8.500
  151   1HG1  ILE  21          2HG1      ILE  21  -0.911  11.131  -7.755
  152   2HG1  ILE  21          1HG1      ILE  21  -1.032  11.827  -9.382
  153   1HG2  ILE  21          2HG2      ILE  21  -3.244  13.721  -9.038
  154   2HG2  ILE  21          1HG2      ILE  21  -3.018  12.449 -10.228
  155   3HG2  ILE  21          3HG2      ILE  21  -4.509  12.509  -9.312
  156   1HD1  ILE  21          2HD1      ILE  21  -1.526  14.008  -7.691
  157   2HD1  ILE  21          1HD1      ILE  21  -0.315  12.996  -6.849
  158   3HD1  ILE  21          3HD1      ILE  21  -0.018  13.605  -8.436
  159    H    TYR  22           H        TYR  22  -4.595  13.894  -7.351
  160    HA   TYR  22           HA       TYR  22  -7.303  12.717  -6.906
  161   1HB   TYR  22          2HB       TYR  22  -6.145  15.504  -6.371
  162   2HB   TYR  22          1HB       TYR  22  -7.828  15.062  -6.039
  163    HD1  TYR  22           HD1      TYR  22  -8.180  13.024  -4.446
  164    HD2  TYR  22           HD2      TYR  22  -4.438  14.990  -4.861
  165    HE1  TYR  22           HE1      TYR  22  -7.400  11.963  -2.375
  166    HE2  TYR  22           HE2      TYR  22  -3.668  13.940  -2.800
  167    HH   TYR  22           HH       TYR  22  -5.566  12.721  -0.574
  168    H    ALA  23           H        ALA  23  -5.875  15.516  -8.349
  169    HA   ALA  23           HA       ALA  23  -5.531  15.866 -10.757
  170   1HB   ALA  23          2HB       ALA  23  -8.455  14.903 -10.930
  171   2HB   ALA  23          1HB       ALA  23  -7.514  15.525 -12.281
  172   3HB   ALA  23          3HB       ALA  23  -7.072  14.010 -11.516
  173    H    TRP  24           H        TRP  24  -8.885  16.653 -10.646
  174    HA   TRP  24           HA       TRP  24  -8.235  19.416  -9.665
  175   1HB   TRP  24          2HB       TRP  24  -9.059  20.221 -11.683
  176   2HB   TRP  24          1HB       TRP  24  -9.287  18.597 -12.272
  177    HD1  TRP  24           HD1      TRP  24 -11.837  17.879 -12.659
  178    HE1  TRP  24           HE1      TRP  24 -14.076  18.841 -12.057
  179    HE3  TRP  24           HE3      TRP  24 -10.257  21.721  -9.752
  180    HZ2  TRP  24           HZ2      TRP  24 -15.050  20.866 -10.564
  181    HZ3  TRP  24           HZ3      TRP  24 -11.958  23.199  -8.734
  182    HH2  TRP  24           HH2      TRP  24 -14.363  22.777  -9.144
  183    H    TYR  25           H        TYR  25 -10.849  17.128 -10.212
  184    HA   TYR  25           HA       TYR  25 -12.594  18.136  -8.146
  185   1HB   TYR  25          2HB       TYR  25 -13.924  16.067  -8.541
  186   2HB   TYR  25          1HB       TYR  25 -13.335  16.569 -10.122
  187    HD1  TYR  25           HD1      TYR  25 -11.065  15.448 -10.947
  188    HD2  TYR  25           HD2      TYR  25 -13.347  13.957  -7.669
  189    HE1  TYR  25           HE1      TYR  25  -9.870  13.325 -11.060
  190    HE2  TYR  25           HE2      TYR  25 -12.133  11.829  -7.816
  191    HH   TYR  25           HH       TYR  25  -9.277  11.510  -9.469
  192    H    ASN  26           H        ASN  26 -12.957  16.675  -6.021
  193    HA   ASN  26           HA       ASN  26 -10.482  15.137  -5.329
  194   1HB   ASN  26          2HB       ASN  26 -10.226  17.480  -4.437
  195   2HB   ASN  26          1HB       ASN  26 -11.626  17.205  -3.397
  196   1HD2  ASN  26          2HD2      ASN  26  -9.794  15.004  -1.243
  197   2HD2  ASN  26          1HD2      ASN  26 -11.355  15.573  -1.646
  198    H    GLN  27           H        GLN  27 -12.111  13.529  -5.792
  199    HA   GLN  27           HA       GLN  27 -13.869  12.935  -3.435
  200   1HB   GLN  27          2HB       GLN  27 -13.978  12.139  -6.380
  201   2HB   GLN  27          1HB       GLN  27 -14.757  11.138  -5.187
  202   1HG   GLN  27          2HG       GLN  27 -16.269  12.891  -6.252
  203   2HG   GLN  27          1HG       GLN  27 -16.243  12.917  -4.507
  204   1HE2  GLN  27          2HE2      GLN  27 -15.431  16.325  -4.490
  205   2HE2  GLN  27          1HE2      GLN  27 -16.132  15.006  -3.685
  206    H    GLN  28           H        GLN  28 -11.575  11.401  -5.686
  207    HA   GLN  28           HA       GLN  28 -10.711   9.678  -3.429
  208   1HB   GLN  28          2HB       GLN  28 -11.425   8.858  -6.303
  209   2HB   GLN  28          1HB       GLN  28 -10.460   7.825  -5.268
  210   1HG   GLN  28          2HG       GLN  28 -13.241   8.864  -4.487
  211   2HG   GLN  28          1HG       GLN  28 -12.932   7.252  -5.104
  212   1HE2  GLN  28          2HE2      GLN  28 -12.219   7.999  -1.233
  213   2HE2  GLN  28          1HE2      GLN  28 -12.970   9.148  -2.243
  214    H    GLY  29           H        GLY  29  -8.753   8.415  -4.104
  215   1HA   GLY  29          2HA       GLY  29  -6.804  10.483  -4.946
  216   2HA   GLY  29          1HA       GLY  29  -6.407   9.176  -3.878
  217    H    SER  30           H        SER  30  -4.564   9.010  -5.331
  218    HA   SER  30           HA       SER  30  -4.759   6.747  -7.051
  219   1HB   SER  30          2HB       SER  30  -5.849   8.051  -8.714
  220   2HB   SER  30          1HB       SER  30  -4.798   9.435  -8.450
  221    HG   SER  30           HG       SER  30  -3.059   8.169  -9.226
  222    H    CYS  31           H        CYS  31  -2.950   6.042  -5.974
  223    HA   CYS  31           HA       CYS  31  -0.586   7.318  -5.430
  224   1HB   CYS  31          2HB       CYS  31  -1.381   4.760  -5.176
  225   2HB   CYS  31          1HB       CYS  31  -0.506   4.591  -6.657
  226    H    GLN  32           H        GLN  32   0.342   8.759  -7.003
  227    HA   GLN  32           HA       GLN  32   0.976   7.679  -9.696
  228   1HB   GLN  32          2HB       GLN  32  -0.906   9.528  -9.525
  229   2HB   GLN  32          1HB       GLN  32   0.439  10.492  -8.906
  230   1HG   GLN  32          2HG       GLN  32   0.078  11.092 -11.229
  231   2HG   GLN  32          1HG       GLN  32   1.651  10.391 -10.966
  232   1HE2  GLN  32          2HE2      GLN  32  -1.101   8.478 -13.279
  233   2HE2  GLN  32          1HE2      GLN  32  -1.588   9.784 -12.315
  234    H    THR  33           H        THR  33   2.987   8.347 -10.441
  235    HA   THR  33           HA       THR  33   4.669   8.698  -8.147
  236    HB   THR  33           HB       THR  33   6.217   8.853 -10.673
  237    HG1  THR  33           HG1      THR  33   4.923   6.632 -11.113
  238   1HG2  THR  33          2HG2      THR  33   5.442   6.610  -8.822
  239   2HG2  THR  33          1HG2      THR  33   6.840   6.637  -9.930
  240   3HG2  THR  33          3HG2      THR  33   6.740   7.787  -8.605
  241    H    THR  34           H        THR  34   3.459  10.873  -7.916
  242    HA   THR  34           HA       THR  34   5.522  12.692  -8.688
  243    HB   THR  34           HB       THR  34   3.805  12.927 -10.572
  244    HG1  THR  34           HG1      THR  34   3.913  15.024 -10.358
  245   1HG2  THR  34          1HG2      THR  34   1.948  13.540  -8.259
  246   2HG2  THR  34          3HG2      THR  34   1.492  13.526  -9.966
  247   3HG2  THR  34          2HG2      THR  34   1.905  12.024  -9.143
  248    H    ILE  35           H        ILE  35   4.995  14.875  -8.007
  249    HA   ILE  35           HA       ILE  35   5.079  16.442  -6.357
  250    HB   ILE  35           HB       ILE  35   2.564  15.502  -6.181
  251   1HG1  ILE  35          2HG1      ILE  35   3.851  17.087  -3.886
  252   2HG1  ILE  35          1HG1      ILE  35   3.429  17.757  -5.440
  253   1HG2  ILE  35          3HG2      ILE  35   3.100  13.572  -4.688
  254   2HG2  ILE  35          2HG2      ILE  35   3.654  14.678  -3.473
  255   3HG2  ILE  35          1HG2      ILE  35   1.958  14.660  -4.002
  256   1HD1  ILE  35          3HD1      ILE  35   1.047  17.228  -5.077
  257   2HD1  ILE  35          2HD1      ILE  35   1.393  16.574  -3.490
  258   3HD1  ILE  35          1HD1      ILE  35   1.670  18.270  -3.814
  259    H    THR  36           H        THR  36   5.124  13.138  -5.155
  260    HA   THR  36           HA       THR  36   7.716  13.568  -3.828
  261    HB   THR  36           HB       THR  36   6.785  12.203  -1.800
  262    HG1  THR  36           HG1      THR  36   4.917  11.414  -2.570
  263   1HG2  THR  36          1HG2      THR  36   5.347  14.867  -2.330
  264   2HG2  THR  36          3HG2      THR  36   5.606  14.121  -0.759
  265   3HG2  THR  36          2HG2      THR  36   6.961  14.750  -1.680
  266    H    GLY  37           H        GLY  37   6.618  12.331  -6.260
  267   1HA   GLY  37          2HA       GLY  37   7.232   9.454  -5.687
  268   2HA   GLY  37          1HA       GLY  37   6.196  10.012  -7.006
  269    H    LEU  38           H        LEU  38   8.973  11.636  -6.040
  270    HA   LEU  38           HA       LEU  38  10.634  10.543  -8.244
  271   1HB   LEU  38          2HB       LEU  38   9.524  12.337  -9.355
  272   2HB   LEU  38          1HB       LEU  38   9.621  13.396  -7.981
  273    HG   LEU  38           HG       LEU  38  12.182  13.493  -8.370
  274   1HD1  LEU  38          1HD1      LEU  38  11.480  11.919 -10.893
  275   2HD1  LEU  38          3HD1      LEU  38  13.052  12.590 -10.508
  276   3HD1  LEU  38          2HD1      LEU  38  12.401  11.289  -9.540
  277   1HD2  LEU  38          1HD2      LEU  38  10.685  15.229  -9.321
  278   2HD2  LEU  38          3HD2      LEU  38  12.058  14.922 -10.370
  279   3HD2  LEU  38          2HD2      LEU  38  10.482  14.264 -10.770
  280    H    PHE  39           H        PHE  39  10.885  13.440  -6.278
  281    HA   PHE  39           HA       PHE  39  13.570  12.591  -5.361
  282   1HB   PHE  39          2HB       PHE  39  13.456  15.028  -4.342
  283   2HB   PHE  39          1HB       PHE  39  13.576  14.853  -6.082
  284    HD1  PHE  39           HD1      PHE  39  10.889  15.023  -3.409
  285    HD2  PHE  39           HD2      PHE  39  12.047  16.022  -7.393
  286    HE1  PHE  39           HE1      PHE  39   8.795  16.228  -3.723
  287    HE2  PHE  39           HE2      PHE  39   9.942  17.230  -7.696
  288    HZ   PHE  39           HZ       PHE  39   8.303  17.333  -5.853
  289    H    LYS  40           H        LYS  40  11.594  11.030  -4.394
  290    HA   LYS  40           HA       LYS  40  11.759  11.529  -1.467
  291   1HB   LYS  40          2HB       LYS  40   9.378  12.069  -2.375
  292   2HB   LYS  40          1HB       LYS  40   9.356  10.440  -2.991
  293   1HG   LYS  40          2HG       LYS  40   9.854  10.752  -0.026
  294   2HG   LYS  40          1HG       LYS  40   8.230  11.020  -0.611
  295   1HD   LYS  40          2HD       LYS  40   8.138   8.815  -1.670
  296   2HD   LYS  40          1HD       LYS  40   9.782   8.449  -1.240
  297   1HE   LYS  40          2HE       LYS  40   7.460   8.886   0.721
  298   2HE   LYS  40          1HE       LYS  40   8.183   7.338   0.301
  299   1HZ   LYS  40          3HZ       LYS  40  10.259   8.969   1.072
  300   2HZ   LYS  40          2HZ       LYS  40   9.057   9.117   2.306
  301   3HZ   LYS  40          1HZ       LYS  40   9.734   7.614   1.786
  302    H    LYS  41           H        LYS  41  12.616   9.673  -0.548
  303    HA   LYS  41           HA       LYS  41  12.848   7.300  -2.352
  304   1HB   LYS  41          2HB       LYS  41  14.432   8.109   0.173
  305   2HB   LYS  41          1HB       LYS  41  14.521   6.512  -0.516
  306   1HG   LYS  41          2HG       LYS  41  16.387   7.510  -1.470
  307   2HG   LYS  41          1HG       LYS  41  15.213   7.679  -2.752
  308   1HD   LYS  41          2HD       LYS  41  14.757  10.030  -2.082
  309   2HD   LYS  41          1HD       LYS  41  15.901   9.907  -0.768
  310   1HE   LYS  41          2HE       LYS  41  16.543   9.702  -3.769
  311   2HE   LYS  41          1HE       LYS  41  16.947  11.050  -2.725
  312   1HZ   LYS  41          3HZ       LYS  41  18.005   8.702  -1.581
  313   2HZ   LYS  41          2HZ       LYS  41  18.476   8.741  -3.207
  314   3HZ   LYS  41          1HZ       LYS  41  18.855  10.029  -2.183
  315    H    CYS  42           H        CYS  42  12.424   5.240  -1.335
  316    HA   CYS  42           HA       CYS  42  10.300   5.353   0.745
  317   1HB   CYS  42          2HB       CYS  42   9.790   4.641  -1.714
  318   2HB   CYS  42          1HB       CYS  42  10.801   3.267  -1.392
   
  No H/Q in entry =         318
  Start of MODEL    9
    1   1H    CYS   1          2H        CYS   1   0.000   0.253  -0.011
    2   2H    CYS   1          1H        CYS   1   1.214  -0.419   0.926
    3   3H    CYS   1          3H        CYS   1   1.330   1.197   0.426
    4    HA   CYS   1           HA       CYS   1   2.378   0.633  -1.420
    5   1HB   CYS   1          2HB       CYS   1   3.467  -1.005  -0.341
    6   2HB   CYS   1          1HB       CYS   1   2.067  -2.084  -0.344
    7    H    ALA   2           H        ALA   2   0.840   1.352  -2.993
    8    HA   ALA   2           HA       ALA   2  -0.857  -0.796  -4.231
    9   1HB   ALA   2          3HB       ALA   2  -1.293   2.230  -4.160
   10   2HB   ALA   2          2HB       ALA   2  -2.368   1.097  -4.948
   11   3HB   ALA   2          1HB       ALA   2  -2.192   1.084  -3.198
   12    H    LYS   3           H        LYS   3  -0.895  -0.429  -6.780
   13    HA   LYS   3           HA       LYS   3   1.723   0.852  -7.577
   14   1HB   LYS   3          2HB       LYS   3   0.454  -1.681  -8.692
   15   2HB   LYS   3          1HB       LYS   3   1.809  -0.868  -9.427
   16   1HG   LYS   3          2HG       LYS   3   3.092  -1.206  -7.191
   17   2HG   LYS   3          1HG       LYS   3   1.773  -2.257  -6.706
   18   1HD   LYS   3          2HD       LYS   3   2.125  -3.704  -8.690
   19   2HD   LYS   3          1HD       LYS   3   3.370  -2.623  -9.294
   20   1HE   LYS   3          2HE       LYS   3   4.779  -3.145  -7.258
   21   2HE   LYS   3          1HE       LYS   3   3.557  -4.280  -6.718
   22   1HZ   LYS   3          3HZ       LYS   3   4.218  -4.908  -9.403
   23   2HZ   LYS   3          2HZ       LYS   3   5.656  -4.730  -8.528
   24   3HZ   LYS   3          1HZ       LYS   3   4.488  -5.835  -8.017
   25    H    LYS   4           H        LYS   4  -0.310   2.455  -7.592
   26    HA   LYS   4           HA       LYS   4  -1.443   4.072  -8.900
   27   1HB   LYS   4          2HB       LYS   4   0.762   3.915 -10.177
   28   2HB   LYS   4          1HB       LYS   4  -0.057   2.872 -11.333
   29   1HG   LYS   4          2HG       LYS   4  -1.631   5.327 -10.654
   30   2HG   LYS   4          1HG       LYS   4  -0.059   5.737 -11.229
   31   1HD   LYS   4          2HD       LYS   4  -1.680   3.729 -12.845
   32   2HD   LYS   4          1HD       LYS   4  -2.157   5.407 -12.922
   33   1HE   LYS   4          2HE       LYS   4   0.616   4.316 -13.608
   34   2HE   LYS   4          1HE       LYS   4  -0.598   4.861 -14.756
   35   1HZ   LYS   4          2HZ       LYS   4  -0.196   6.913 -12.847
   36   2HZ   LYS   4          1HZ       LYS   4   1.302   6.427 -13.413
   37   3HZ   LYS   4          3HZ       LYS   4   0.126   6.976 -14.488
   38    H    ARG   5           H        ARG   5  -3.015   3.887 -11.099
   39    HA   ARG   5           HA       ARG   5  -4.725   2.814 -12.357
   40   1HB   ARG   5          2HB       ARG   5  -3.266   0.655 -12.355
   41   2HB   ARG   5          1HB       ARG   5  -4.049   0.173 -10.876
   42   1HG   ARG   5          2HG       ARG   5  -5.462  -0.922 -12.298
   43   2HG   ARG   5          1HG       ARG   5  -6.303   0.606 -12.223
   44   1HD   ARG   5          2HD       ARG   5  -6.115  -0.016 -14.558
   45   2HD   ARG   5          1HD       ARG   5  -5.023   1.346 -14.306
   46    HE   ARG   5           HE       ARG   5  -4.179  -1.545 -14.427
   47   1HH1  ARG   5          2HH1      ARG   5  -1.989  -0.687 -13.281
   48   2HH1  ARG   5          1HH1      ARG   5  -0.991   0.141 -14.403
   49   1HH2  ARG   5          1HH2      ARG   5  -3.836   0.616 -16.539
   50   2HH2  ARG   5          2HH2      ARG   5  -2.157   0.983 -16.439
   51    H    ASN   6           H        ASN   6  -4.310   1.311  -9.290
   52    HA   ASN   6           HA       ASN   6  -7.033   2.087  -8.222
   53   1HB   ASN   6          2HB       ASN   6  -5.983  -0.491  -8.170
   54   2HB   ASN   6          1HB       ASN   6  -4.992   0.223  -6.910
   55   1HD2  ASN   6          2HD2      ASN   6  -7.666  -0.298  -4.641
   56   2HD2  ASN   6          1HD2      ASN   6  -6.009  -0.498  -4.935
   57    H    TRP   7           H        TRP   7  -6.810   2.919  -6.020
   58    HA   TRP   7           HA       TRP   7  -4.197   4.351  -5.856
   59   1HB   TRP   7          2HB       TRP   7  -5.458   6.258  -5.096
   60   2HB   TRP   7          1HB       TRP   7  -5.968   5.752  -6.702
   61    HD1  TRP   7           HD1      TRP   7  -7.166   4.669  -3.200
   62    HE1  TRP   7           HE1      TRP   7  -9.601   5.105  -2.973
   63    HE3  TRP   7           HE3      TRP   7  -7.948   6.547  -7.788
   64    HZ2  TRP   7           HZ2      TRP   7 -11.644   6.042  -4.547
   65    HZ3  TRP   7           HZ3      TRP   7 -10.262   7.205  -8.432
   66    HH2  TRP   7           HH2      TRP   7 -12.107   6.960  -6.798
   67    H    CYS   8           H        CYS   8  -4.299   5.749  -3.925
   68    HA   CYS   8           HA       CYS   8  -4.186   4.005  -1.520
   69   1HB   CYS   8          2HB       CYS   8  -2.541   5.992  -0.919
   70   2HB   CYS   8          1HB       CYS   8  -2.053   4.734  -2.009
   71    H    GLY   9           H        GLY   9  -5.572   6.853  -2.871
   72   1HA   GLY   9          2HA       GLY   9  -7.575   7.918  -2.020
   73   2HA   GLY   9          1HA       GLY   9  -7.234   7.241  -0.419
   74    H    LYS  10           H        LYS  10  -5.016   7.754   0.288
   75    HA   LYS  10           HA       LYS  10  -4.056  10.532  -0.075
   76   1HB   LYS  10          2HB       LYS  10  -5.438  10.525   2.063
   77   2HB   LYS  10          1HB       LYS  10  -4.732   8.979   2.502
   78   1HG   LYS  10          2HG       LYS  10  -2.455  10.106   2.618
   79   2HG   LYS  10          1HG       LYS  10  -3.184  11.637   2.304
   80   1HD   LYS  10          2HD       LYS  10  -3.387   9.878   4.828
   81   2HD   LYS  10          1HD       LYS  10  -2.553  11.380   4.655
   82   1HE   LYS  10          2HE       LYS  10  -4.530  11.796   5.930
   83   2HE   LYS  10          1HE       LYS  10  -4.826  12.492   4.335
   84   1HZ   LYS  10          2HZ       LYS  10  -5.578   9.813   4.265
   85   2HZ   LYS  10          1HZ       LYS  10  -6.229  10.372   5.647
   86   3HZ   LYS  10          3HZ       LYS  10  -6.615  11.142   4.153
   87    H    ASN  11           H        ASN  11  -1.733  10.379   0.376
   88    HA   ASN  11           HA       ASN  11  -0.383   8.338  -0.800
   89   1HB   ASN  11          2HB       ASN  11   1.570   8.802   0.867
   90   2HB   ASN  11          1HB       ASN  11   0.954  10.180  -0.026
   91   1HD2  ASN  11          2HD2      ASN  11   0.451  11.827   3.039
   92   2HD2  ASN  11          1HD2      ASN  11   1.079  11.907   1.459
   93    H    GLU  12           H        GLU  12  -1.747   8.207   2.307
   94    HA   GLU  12           HA       GLU  12  -1.062   6.537   4.041
   95   1HB   GLU  12          2HB       GLU  12  -3.563   6.145   2.393
   96   2HB   GLU  12          1HB       GLU  12  -3.298   5.230   3.865
   97   1HG   GLU  12          2HG       GLU  12  -3.124   7.225   5.188
   98   2HG   GLU  12          1HG       GLU  12  -3.099   8.233   3.758
   99    H    ASP  13           H        ASP  13  -2.371   4.618   1.364
  100    HA   ASP  13           HA       ASP  13  -0.386   2.501   2.158
  101   1HB   ASP  13          2HB       ASP  13  -3.076   2.267   2.309
  102   2HB   ASP  13          1HB       ASP  13  -2.865   1.718   0.658
  103    H    CYS  14           H        CYS  14   0.450   4.468   0.213
  104    HA   CYS  14           HA       CYS  14   0.205   2.996  -2.394
  105   1HB   CYS  14          2HB       CYS  14   0.137   5.568  -2.149
  106   2HB   CYS  14          1HB       CYS  14   1.885   5.459  -1.974
  107    H    CYS  15           H        CYS  15   2.235   2.583  -3.584
  108    HA   CYS  15           HA       CYS  15   4.354   1.503  -1.784
  109   1HB   CYS  15          2HB       CYS  15   2.818   0.227  -3.661
  110   2HB   CYS  15          1HB       CYS  15   4.132   0.715  -4.647
  111    H    CYS  16           H        CYS  16   5.247   3.487  -1.594
  112    HA   CYS  16           HA       CYS  16   6.086   5.441  -3.293
  113   1HB   CYS  16          2HB       CYS  16   8.169   5.411  -1.772
  114   2HB   CYS  16          1HB       CYS  16   6.582   5.841  -1.177
  115    HA   PRO  17           HA       PRO  17   7.609   6.820  -3.518
  116   1HB   PRO  17          2HB       PRO  17   9.030   8.285  -5.112
  117   2HB   PRO  17          1HB       PRO  17   9.883   7.064  -4.127
  118   1HG   PRO  17          2HG       PRO  17   9.010   6.838  -7.073
  119   2HG   PRO  17          1HG       PRO  17  10.569   6.409  -6.368
  120   1HD   PRO  17          2HD       PRO  17   8.392   4.574  -6.690
  121   2HD   PRO  17          1HD       PRO  17   9.790   4.298  -5.639
  122    H    MET  18           H        MET  18   5.596   7.142  -3.720
  123    HA   MET  18           HA       MET  18   4.411   8.377  -6.113
  124   1HB   MET  18          2HB       MET  18   4.421   5.951  -6.396
  125   2HB   MET  18          1HB       MET  18   3.555   5.778  -4.883
  126   1HG   MET  18          2HG       MET  18   1.581   6.509  -5.778
  127   2HG   MET  18          1HG       MET  18   2.358   7.476  -6.980
  128   1HE   MET  18          2HE       MET  18   2.782   4.021  -5.751
  129   2HE   MET  18          1HE       MET  18   2.663   2.973  -7.140
  130   3HE   MET  18          3HE       MET  18   4.083   4.014  -6.950
  131    H    LYS  19           H        LYS  19   2.720   9.501  -5.515
  132    HA   LYS  19           HA       LYS  19   2.106   9.587  -2.535
  133   1HB   LYS  19          2HB       LYS  19   3.533  11.492  -3.296
  134   2HB   LYS  19          1HB       LYS  19   2.318  11.941  -4.486
  135   1HG   LYS  19          2HG       LYS  19   0.771  12.715  -2.844
  136   2HG   LYS  19          1HG       LYS  19   1.574  11.858  -1.533
  137   1HD   LYS  19          2HD       LYS  19   3.461  13.340  -1.583
  138   2HD   LYS  19          1HD       LYS  19   3.008  14.007  -3.137
  139   1HE   LYS  19          2HE       LYS  19   1.079  15.147  -2.052
  140   2HE   LYS  19          1HE       LYS  19   1.594  14.517  -0.487
  141   1HZ   LYS  19          3HZ       LYS  19   3.824  15.733  -1.813
  142   2HZ   LYS  19          2HZ       LYS  19   2.528  16.807  -1.817
  143   3HZ   LYS  19          1HZ       LYS  19   3.107  16.188  -0.352
  144    H    CYS  20           H        CYS  20  -0.353  10.639  -2.302
  145    HA   CYS  20           HA       CYS  20  -1.790   9.242  -4.498
  146   1HB   CYS  20          2HB       CYS  20  -2.080   9.333  -1.830
  147   2HB   CYS  20          1HB       CYS  20  -3.297  10.497  -2.261
  148    H    ILE  21           H        ILE  21  -3.165  10.379  -5.851
  149    HA   ILE  21           HA       ILE  21  -2.849  13.306  -5.842
  150    HB   ILE  21           HB       ILE  21  -2.854  11.250  -8.054
  151   1HG1  ILE  21          2HG1      ILE  21  -0.721  11.522  -7.037
  152   2HG1  ILE  21          1HG1      ILE  21  -0.695  12.418  -8.553
  153   1HG2  ILE  21          1HG2      ILE  21  -4.129  13.130  -9.022
  154   2HG2  ILE  21          3HG2      ILE  21  -2.830  14.249  -8.590
  155   3HG2  ILE  21          2HG2      ILE  21  -2.553  12.974  -9.753
  156   1HD1  ILE  21          3HD1      ILE  21  -0.979  14.541  -7.440
  157   2HD1  ILE  21          2HD1      ILE  21  -1.029  13.747  -5.854
  158   3HD1  ILE  21          1HD1      ILE  21   0.337  13.548  -6.859
  159    H    TYR  22           H        TYR  22  -3.970  14.565  -6.990
  160    HA   TYR  22           HA       TYR  22  -6.889  14.006  -6.893
  161   1HB   TYR  22          2HB       TYR  22  -5.252  16.409  -5.958
  162   2HB   TYR  22          1HB       TYR  22  -7.009  16.248  -5.706
  163    HD1  TYR  22           HD1      TYR  22  -7.734  13.919  -4.460
  164    HD2  TYR  22           HD2      TYR  22  -3.767  15.487  -4.509
  165    HE1  TYR  22           HE1      TYR  22  -7.103  12.424  -2.661
  166    HE2  TYR  22           HE2      TYR  22  -3.137  13.981  -2.729
  167    HH   TYR  22           HH       TYR  22  -5.315  11.533  -1.517
  168    H    ALA  23           H        ALA  23  -4.739  16.530  -8.044
  169    HA   ALA  23           HA       ALA  23  -4.490  17.644 -10.070
  170   1HB   ALA  23          2HB       ALA  23  -4.425  15.340 -11.143
  171   2HB   ALA  23          1HB       ALA  23  -6.174  15.328 -11.254
  172   3HB   ALA  23          3HB       ALA  23  -5.259  16.499 -12.165
  173    H    TRP  24           H        TRP  24  -7.634  16.151 -10.385
  174    HA   TRP  24           HA       TRP  24  -9.148  18.527  -9.718
  175   1HB   TRP  24          2HB       TRP  24  -8.915  19.178 -12.043
  176   2HB   TRP  24          1HB       TRP  24  -8.925  17.501 -12.597
  177    HD1  TRP  24           HD1      TRP  24 -11.245  16.347 -12.982
  178    HE1  TRP  24           HE1      TRP  24 -13.622  17.021 -12.850
  179    HE3  TRP  24           HE3      TRP  24 -10.583  20.838 -10.754
  180    HZ2  TRP  24           HZ2      TRP  24 -15.092  19.165 -11.927
  181    HZ3  TRP  24           HZ3      TRP  24 -12.582  22.204 -10.240
  182    HH2  TRP  24           HH2      TRP  24 -14.836  21.368 -10.830
  183    H    TYR  25           H        TYR  25 -11.088  17.929  -9.124
  184    HA   TYR  25           HA       TYR  25 -13.117  16.698  -8.941
  185   1HB   TYR  25          2HB       TYR  25 -13.341  14.435  -9.493
  186   2HB   TYR  25          1HB       TYR  25 -11.999  14.800 -10.526
  187    HD1  TYR  25           HD1      TYR  25  -9.801  14.626  -8.142
  188    HD2  TYR  25           HD2      TYR  25 -12.987  12.129  -9.479
  189    HE1  TYR  25           HE1      TYR  25  -8.654  12.645  -7.257
  190    HE2  TYR  25           HE2      TYR  25 -11.830  10.175  -8.597
  191    HH   TYR  25           HH       TYR  25 -10.074   9.810  -6.672
  192    H    ASN  26           H        ASN  26 -13.785  15.226  -7.029
  193    HA   ASN  26           HA       ASN  26 -11.739  15.334  -4.845
  194   1HB   ASN  26          2HB       ASN  26 -14.633  16.277  -4.491
  195   2HB   ASN  26          1HB       ASN  26 -13.346  16.346  -3.302
  196   1HD2  ASN  26          2HD2      ASN  26 -12.190  19.443  -4.544
  197   2HD2  ASN  26          1HD2      ASN  26 -12.129  18.299  -3.283
  198    H    GLN  27           H        GLN  27 -11.922  12.989  -5.788
  199    HA   GLN  27           HA       GLN  27 -13.786  11.506  -3.972
  200   1HB   GLN  27          2HB       GLN  27 -13.374  10.979  -6.961
  201   2HB   GLN  27          1HB       GLN  27 -14.162   9.855  -5.871
  202   1HG   GLN  27          2HG       GLN  27 -15.144  12.730  -6.264
  203   2HG   GLN  27          1HG       GLN  27 -15.773  11.370  -7.167
  204   1HE2  GLN  27          2HE2      GLN  27 -17.038  11.913  -3.386
  205   2HE2  GLN  27          1HE2      GLN  27 -15.906  12.985  -4.061
  206    H    GLN  28           H        GLN  28 -12.002  11.256  -2.685
  207    HA   GLN  28           HA       GLN  28 -10.075  10.183  -1.896
  208   1HB   GLN  28          2HB       GLN  28 -10.728   8.331  -4.264
  209   2HB   GLN  28          1HB       GLN  28  -9.564   7.920  -3.040
  210   1HG   GLN  28          2HG       GLN  28 -11.701   6.804  -2.502
  211   2HG   GLN  28          1HG       GLN  28 -11.397   8.031  -1.294
  212   1HE2  GLN  28          2HE2      GLN  28 -14.522   9.500  -1.975
  213   2HE2  GLN  28          1HE2      GLN  28 -13.309   9.163  -0.825
  214    H    GLY  29           H        GLY  29  -7.958   8.986  -3.490
  215   1HA   GLY  29          2HA       GLY  29  -7.267  11.060  -5.437
  216   2HA   GLY  29          1HA       GLY  29  -6.186  10.906  -4.027
  217    H    SER  30           H        SER  30  -5.067  10.350  -6.587
  218    HA   SER  30           HA       SER  30  -5.020   7.388  -6.487
  219   1HB   SER  30          2HB       SER  30  -4.463   7.360  -8.901
  220   2HB   SER  30          1HB       SER  30  -5.910   8.343  -8.659
  221    HG   SER  30           HG       SER  30  -4.815  10.030  -9.274
  222    H    CYS  31           H        CYS  31  -3.268   6.112  -6.631
  223    HA   CYS  31           HA       CYS  31  -0.818   7.149  -5.566
  224   1HB   CYS  31          2HB       CYS  31  -1.747   4.586  -6.815
  225   2HB   CYS  31          1HB       CYS  31  -0.039   4.872  -6.902
  226    H    GLN  32           H        GLN  32   0.200   8.795  -6.797
  227    HA   GLN  32           HA       GLN  32   0.588   8.066  -9.641
  228   1HB   GLN  32          2HB       GLN  32  -1.102  10.090  -8.761
  229   2HB   GLN  32          1HB       GLN  32   0.454  10.925  -8.807
  230   1HG   GLN  32          2HG       GLN  32  -0.836  11.225 -10.908
  231   2HG   GLN  32          1HG       GLN  32   0.725  10.463 -11.132
  232   1HE2  GLN  32          2HE2      GLN  32  -2.622   7.994 -11.255
  233   2HE2  GLN  32          1HE2      GLN  32  -2.544   9.188 -10.057
  234    H    THR  33           H        THR  33   2.547   8.278 -10.331
  235    HA   THR  33           HA       THR  33   4.451   8.639  -8.259
  236    HB   THR  33           HB       THR  33   5.651   8.256 -10.973
  237    HG1  THR  33           HG1      THR  33   4.107   6.167 -10.822
  238   1HG2  THR  33          2HG2      THR  33   4.930   6.435  -8.672
  239   2HG2  THR  33          1HG2      THR  33   6.148   6.111  -9.939
  240   3HG2  THR  33          3HG2      THR  33   6.369   7.447  -8.815
  241    H    THR  34           H        THR  34   3.425  11.033  -8.453
  242    HA   THR  34           HA       THR  34   5.792  12.410  -9.238
  243    HB   THR  34           HB       THR  34   4.462  12.491 -11.414
  244    HG1  THR  34           HG1      THR  34   4.814  14.582 -11.590
  245   1HG2  THR  34          2HG2      THR  34   2.294  13.722  -9.619
  246   2HG2  THR  34          1HG2      THR  34   2.149  13.445 -11.350
  247   3HG2  THR  34          3HG2      THR  34   2.247  12.086 -10.244
  248    H    ILE  35           H        ILE  35   5.524  14.754  -8.955
  249    HA   ILE  35           HA       ILE  35   5.341  16.564  -7.542
  250    HB   ILE  35           HB       ILE  35   2.733  15.653  -7.472
  251   1HG1  ILE  35          2HG1      ILE  35   2.216  17.498  -5.810
  252   2HG1  ILE  35          1HG1      ILE  35   3.918  17.583  -5.391
  253   1HG2  ILE  35          2HG2      ILE  35   3.122  13.983  -5.534
  254   2HG2  ILE  35          1HG2      ILE  35   3.633  15.344  -4.583
  255   3HG2  ILE  35          3HG2      ILE  35   1.979  15.221  -5.169
  256   1HD1  ILE  35          1HD1      ILE  35   2.761  18.167  -8.151
  257   2HD1  ILE  35          3HD1      ILE  35   3.277  19.362  -6.979
  258   3HD1  ILE  35          2HD1      ILE  35   4.458  18.318  -7.728
  259    H    THR  36           H        THR  36   4.947  13.450  -5.981
  260    HA   THR  36           HA       THR  36   7.454  13.868  -4.472
  261    HB   THR  36           HB       THR  36   4.881  13.052  -2.988
  262    HG1  THR  36           HG1      THR  36   5.930  15.519  -3.711
  263   1HG2  THR  36          2HG2      THR  36   7.543  14.215  -2.039
  264   2HG2  THR  36          1HG2      THR  36   6.239  13.703  -0.985
  265   3HG2  THR  36          3HG2      THR  36   7.118  12.517  -1.929
  266    H    GLY  37           H        GLY  37   6.573  12.366  -6.710
  267   1HA   GLY  37          2HA       GLY  37   6.692   9.550  -5.699
  268   2HA   GLY  37          1HA       GLY  37   5.886  10.021  -7.192
  269    H    LEU  38           H        LEU  38   8.833  11.354  -6.200
  270    HA   LEU  38           HA       LEU  38  10.435   9.595  -7.969
  271   1HB   LEU  38          2HB       LEU  38   9.660  11.211  -9.544
  272   2HB   LEU  38          1HB       LEU  38   9.905  12.538  -8.446
  273    HG   LEU  38           HG       LEU  38  12.455  12.104  -8.651
  274   1HD1  LEU  38          1HD1      LEU  38  11.584  10.104 -10.797
  275   2HD1  LEU  38          3HD1      LEU  38  13.235  10.575 -10.440
  276   3HD1  LEU  38          2HD1      LEU  38  12.314   9.669  -9.262
  277   1HD2  LEU  38          3HD2      LEU  38  11.332  13.783 -10.112
  278   2HD2  LEU  38          2HD2      LEU  38  12.660  12.988 -10.934
  279   3HD2  LEU  38          1HD2      LEU  38  11.008  12.524 -11.291
  280    H    PHE  39           H        PHE  39  10.909  12.784  -6.548
  281    HA   PHE  39           HA       PHE  39  13.494  11.920  -5.386
  282   1HB   PHE  39          2HB       PHE  39  13.406  14.505  -4.670
  283   2HB   PHE  39          1HB       PHE  39  13.706  14.111  -6.354
  284    HD1  PHE  39           HD2      PHE  39  11.160  15.367  -3.974
  285    HD2  PHE  39           HD1      PHE  39  11.970  14.405  -8.042
  286    HE1  PHE  39           HE2      PHE  39   9.100  16.517  -4.666
  287    HE2  PHE  39           HE1      PHE  39   9.914  15.547  -8.728
  288    HZ   PHE  39           HZ       PHE  39   8.473  16.606  -7.033
  289    H    LYS  40           H        LYS  40  11.617  10.509  -4.316
  290    HA   LYS  40           HA       LYS  40  11.095  11.676  -1.606
  291   1HB   LYS  40          2HB       LYS  40   8.992  11.263  -2.945
  292   2HB   LYS  40          1HB       LYS  40   9.475   9.620  -3.248
  293   1HG   LYS  40          2HG       LYS  40   8.863  10.678  -0.450
  294   2HG   LYS  40          1HG       LYS  40   7.657   9.970  -1.498
  295   1HD   LYS  40          2HD       LYS  40   8.958   7.835  -1.637
  296   2HD   LYS  40          1HD       LYS  40  10.149   8.449  -0.553
  297   1HE   LYS  40          2HE       LYS  40   7.262   7.848   0.122
  298   2HE   LYS  40          1HE       LYS  40   8.692   7.049   0.728
  299   1HZ   LYS  40          1HZ       LYS  40   8.915   9.778   1.310
  300   2HZ   LYS  40          3HZ       LYS  40   7.428   9.170   1.910
  301   3HZ   LYS  40          2HZ       LYS  40   8.914   8.444   2.308
  302    H    LYS  41           H        LYS  41  11.732  10.347   0.117
  303    HA   LYS  41           HA       LYS  41  13.378   7.964  -0.637
  304   1HB   LYS  41          2HB       LYS  41  13.546   9.807   1.827
  305   2HB   LYS  41          1HB       LYS  41  14.487   8.346   1.620
  306   1HG   LYS  41          2HG       LYS  41  15.557   9.303  -0.447
  307   2HG   LYS  41          1HG       LYS  41  14.569  10.726  -0.299
  308   1HD   LYS  41          2HD       LYS  41  16.835  11.228   0.558
  309   2HD   LYS  41          1HD       LYS  41  15.633  11.392   1.805
  310   1HE   LYS  41          2HE       LYS  41  17.645  10.250   2.668
  311   2HE   LYS  41          1HE       LYS  41  16.245   9.211   2.787
  312   1HZ   LYS  41          2HZ       LYS  41  17.479   8.825   0.271
  313   2HZ   LYS  41          1HZ       LYS  41  18.658   8.670   1.486
  314   3HZ   LYS  41          3HZ       LYS  41  17.262   7.706   1.517
  315    H    CYS  42           H        CYS  42  12.537   6.057   0.006
  316    HA   CYS  42           HA       CYS  42  10.643   5.926   2.253
  317   1HB   CYS  42          2HB       CYS  42   9.783   5.676  -0.457
  318   2HB   CYS  42          1HB       CYS  42  10.167   4.044  -0.041
   
  No H/Q in entry =         318
  Start of MODEL   10
    1   1H    CYS   1          3H        CYS   1   0.340   0.061  -0.121
    2   2H    CYS   1          2H        CYS   1   1.567  -0.769   0.704
    3   3H    CYS   1          1H        CYS   1   1.792   0.863   0.251
    4    HA   CYS   1           HA       CYS   1   2.647   0.255  -1.666
    5   1HB   CYS   1          2HB       CYS   1   3.563  -1.538  -0.688
    6   2HB   CYS   1          1HB       CYS   1   2.044  -2.457  -0.723
    7    H    ALA   2           H        ALA   2   1.141   1.228  -3.081
    8    HA   ALA   2           HA       ALA   2  -1.021  -0.511  -4.206
    9   1HB   ALA   2          1HB       ALA   2  -1.851   1.611  -3.075
   10   2HB   ALA   2          3HB       ALA   2  -0.821   2.558  -4.144
   11   3HB   ALA   2          2HB       ALA   2  -2.163   1.638  -4.806
   12    H    LYS   3           H        LYS   3  -1.081  -0.443  -6.592
   13    HA   LYS   3           HA       LYS   3   1.522   0.514  -7.787
   14   1HB   LYS   3          2HB       LYS   3  -0.018  -2.061  -8.146
   15   2HB   LYS   3          1HB       LYS   3   0.796  -1.425  -9.550
   16   1HG   LYS   3          2HG       LYS   3   2.243  -3.022  -8.447
   17   2HG   LYS   3          1HG       LYS   3   2.952  -1.427  -8.394
   18   1HD   LYS   3          2HD       LYS   3   2.233  -1.164  -6.027
   19   2HD   LYS   3          1HD       LYS   3   1.373  -2.692  -6.097
   20   1HE   LYS   3          2HE       LYS   3   3.534  -3.051  -4.994
   21   2HE   LYS   3          1HE       LYS   3   3.540  -3.867  -6.533
   22   1HZ   LYS   3          1HZ       LYS   3   4.450  -1.279  -7.010
   23   2HZ   LYS   3          3HZ       LYS   3   5.267  -1.818  -5.632
   24   3HZ   LYS   3          2HZ       LYS   3   5.331  -2.720  -7.075
   25    H    LYS   4           H        LYS   4  -0.527   2.205  -7.627
   26    HA   LYS   4           HA       LYS   4  -1.676   3.808  -8.885
   27   1HB   LYS   4          2HB       LYS   4  -0.770   2.600 -11.543
   28   2HB   LYS   4          1HB       LYS   4  -0.921   4.285 -11.049
   29   1HG   LYS   4          2HG       LYS   4   1.197   3.152  -9.464
   30   2HG   LYS   4          1HG       LYS   4   1.480   2.584 -11.083
   31   1HD   LYS   4          2HD       LYS   4   1.025   5.511 -10.435
   32   2HD   LYS   4          1HD       LYS   4   2.602   4.797 -10.278
   33   1HE   LYS   4          2HE       LYS   4   2.427   6.008 -12.401
   34   2HE   LYS   4          1HE       LYS   4   2.687   4.301 -12.688
   35   1HZ   LYS   4          3HZ       LYS   4  -0.060   4.688 -12.602
   36   2HZ   LYS   4          2HZ       LYS   4   0.577   5.977 -13.500
   37   3HZ   LYS   4          1HZ       LYS   4   0.872   4.365 -13.984
   38    H    ARG   5           H        ARG   5  -3.217   3.483 -11.191
   39    HA   ARG   5           HA       ARG   5  -5.040   2.459 -12.223
   40   1HB   ARG   5          2HB       ARG   5  -3.433   0.467 -12.333
   41   2HB   ARG   5          1HB       ARG   5  -4.155  -0.122 -10.848
   42   1HG   ARG   5          2HG       ARG   5  -6.342  -0.304 -11.849
   43   2HG   ARG   5          1HG       ARG   5  -5.777   0.426 -13.348
   44   1HD   ARG   5          2HD       ARG   5  -4.159  -1.463 -13.654
   45   2HD   ARG   5          1HD       ARG   5  -4.735  -2.177 -12.145
   46    HE   ARG   5           HE       ARG   5  -6.939  -2.512 -13.209
   47   1HH1  ARG   5          2HH1      ARG   5  -7.222  -0.738 -15.271
   48   2HH1  ARG   5          1HH1      ARG   5  -6.697  -1.496 -16.725
   49   1HH2  ARG   5          1HH2      ARG   5  -4.960  -3.963 -14.835
   50   2HH2  ARG   5          2HH2      ARG   5  -5.328  -3.516 -16.457
   51    H    ASN   6           H        ASN   6  -4.548   1.105  -9.133
   52    HA   ASN   6           HA       ASN   6  -7.273   1.640  -8.042
   53   1HB   ASN   6          2HB       ASN   6  -4.999  -0.381  -7.459
   54   2HB   ASN   6          1HB       ASN   6  -6.426  -0.267  -6.440
   55   1HD2  ASN   6          2HD2      ASN   6  -8.289  -2.351  -8.628
   56   2HD2  ASN   6          1HD2      ASN   6  -8.133  -1.703  -7.066
   57    H    TRP   7           H        TRP   7  -7.152   2.855  -6.160
   58    HA   TRP   7           HA       TRP   7  -4.505   4.191  -5.915
   59   1HB   TRP   7          2HB       TRP   7  -5.774   6.170  -5.206
   60   2HB   TRP   7          1HB       TRP   7  -6.274   5.629  -6.796
   61    HD1  TRP   7           HD1      TRP   7  -7.474   4.664  -3.294
   62    HE1  TRP   7           HE1      TRP   7  -9.972   5.115  -3.091
   63    HE3  TRP   7           HE3      TRP   7  -8.301   6.380  -7.952
   64    HZ2  TRP   7           HZ2      TRP   7 -11.934   5.939  -4.641
   65    HZ3  TRP   7           HZ3      TRP   7 -10.614   7.004  -8.585
   66    HH2  TRP   7           HH2      TRP   7 -12.448   6.788  -6.928
   67    H    CYS   8           H        CYS   8  -4.404   5.511  -4.068
   68    HA   CYS   8           HA       CYS   8  -4.510   3.849  -1.613
   69   1HB   CYS   8          2HB       CYS   8  -2.782   5.851  -1.083
   70   2HB   CYS   8          1HB       CYS   8  -2.303   4.414  -1.938
   71    H    GLY   9           H        GLY   9  -5.664   6.653  -3.150
   72   1HA   GLY   9          2HA       GLY   9  -7.569   7.918  -2.462
   73   2HA   GLY   9          1HA       GLY   9  -7.403   7.282  -0.840
   74    H    LYS  10           H        LYS  10  -5.047   7.656  -0.136
   75    HA   LYS  10           HA       LYS  10  -4.149  10.457  -0.453
   76   1HB   LYS  10          2HB       LYS  10  -4.027  10.564   2.154
   77   2HB   LYS  10          1HB       LYS  10  -5.690  10.339   1.615
   78   1HG   LYS  10          2HG       LYS  10  -5.537   7.894   1.945
   79   2HG   LYS  10          1HG       LYS  10  -3.843   7.974   2.092
   80   1HD   LYS  10          2HD       LYS  10  -4.768   7.476   4.115
   81   2HD   LYS  10          1HD       LYS  10  -3.904   8.999   4.260
   82   1HE   LYS  10          2HE       LYS  10  -6.052  10.164   4.468
   83   2HE   LYS  10          1HE       LYS  10  -6.936   8.669   4.152
   84   1HZ   LYS  10          3HZ       LYS  10  -5.046   8.149   6.197
   85   2HZ   LYS  10          2HZ       LYS  10  -5.891   9.531   6.657
   86   3HZ   LYS  10          1HZ       LYS  10  -6.689   8.063   6.280
   87    H    ASN  11           H        ASN  11  -2.181  10.647   1.135
   88    HA   ASN  11           HA       ASN  11  -0.307   8.860  -0.177
   89   1HB   ASN  11          2HB       ASN  11   0.172  11.360   0.438
   90   2HB   ASN  11          1HB       ASN  11   0.312  10.826   2.109
   91   1HD2  ASN  11          2HD2      ASN  11   3.447   9.133   1.487
   92   2HD2  ASN  11          1HD2      ASN  11   2.091   9.097   2.521
   93    H    GLU  12           H        GLU  12  -1.945   7.166   1.254
   94    HA   GLU  12           HA       GLU  12  -0.365   6.613   3.774
   95   1HB   GLU  12          2HB       GLU  12  -2.808   7.309   3.711
   96   2HB   GLU  12          1HB       GLU  12  -3.190   5.622   3.358
   97   1HG   GLU  12          2HG       GLU  12  -2.425   4.966   5.543
   98   2HG   GLU  12          1HG       GLU  12  -1.423   6.395   5.741
   99    H    ASP  13           H        ASP  13  -2.151   4.627   1.286
  100    HA   ASP  13           HA       ASP  13  -0.303   2.422   2.081
  101   1HB   ASP  13          2HB       ASP  13  -2.005   0.925   1.003
  102   2HB   ASP  13          1HB       ASP  13  -2.677   1.881   2.315
  103    H    CYS  14           H        CYS  14   0.694   4.371   0.065
  104    HA   CYS  14           HA       CYS  14   0.605   2.873  -2.470
  105   1HB   CYS  14          2HB       CYS  14   1.948   5.378  -1.558
  106   2HB   CYS  14          1HB       CYS  14   2.648   4.577  -2.917
  107    H    CYS  15           H        CYS  15   2.551   2.407  -3.625
  108    HA   CYS  15           HA       CYS  15   4.667   1.024  -2.038
  109   1HB   CYS  15          2HB       CYS  15   2.887  -0.087  -3.942
  110   2HB   CYS  15          1HB       CYS  15   4.225   0.358  -4.926
  111    H    CYS  16           H        CYS  16   5.629   2.978  -1.913
  112    HA   CYS  16           HA       CYS  16   6.167   5.073  -3.577
  113   1HB   CYS  16          2HB       CYS  16   8.325   5.356  -2.678
  114   2HB   CYS  16          1HB       CYS  16   7.129   5.053  -1.454
  115    HA   PRO  17           HA       PRO  17   7.516   6.423  -4.238
  116   1HB   PRO  17          2HB       PRO  17   8.806   7.822  -6.020
  117   2HB   PRO  17          1HB       PRO  17   9.709   6.571  -5.133
  118   1HG   PRO  17          2HG       PRO  17   8.532   6.395  -7.948
  119   2HG   PRO  17          1HG       PRO  17  10.101   5.814  -7.393
  120   1HD   PRO  17          2HD       PRO  17   7.670   4.257  -7.496
  121   2HD   PRO  17          1HD       PRO  17   9.188   3.763  -6.725
  122    H    MET  18           H        MET  18   5.442   6.568  -4.174
  123    HA   MET  18           HA       MET  18   4.331   8.166  -6.375
  124   1HB   MET  18          2HB       MET  18   3.375   5.614  -5.242
  125   2HB   MET  18          1HB       MET  18   2.145   6.751  -5.743
  126   1HG   MET  18          2HG       MET  18   2.446   5.668  -7.764
  127   2HG   MET  18          1HG       MET  18   3.744   6.783  -7.926
  128   1HE   MET  18          2HE       MET  18   2.512   3.566  -7.762
  129   2HE   MET  18          1HE       MET  18   3.774   2.498  -7.108
  130   3HE   MET  18          3HE       MET  18   3.031   3.714  -6.068
  131    H    LYS  19           H        LYS  19   2.688   9.300  -5.949
  132    HA   LYS  19           HA       LYS  19   2.153   9.937  -3.018
  133   1HB   LYS  19          2HB       LYS  19   3.542  11.623  -4.429
  134   2HB   LYS  19          1HB       LYS  19   2.113  11.855  -5.399
  135   1HG   LYS  19          2HG       LYS  19   2.234  12.382  -2.405
  136   2HG   LYS  19          1HG       LYS  19   2.491  13.622  -3.609
  137   1HD   LYS  19          2HD       LYS  19   0.144  12.887  -4.550
  138   2HD   LYS  19          1HD       LYS  19  -0.116  12.260  -2.936
  139   1HE   LYS  19          2HE       LYS  19   0.705  15.107  -3.631
  140   2HE   LYS  19          1HE       LYS  19  -0.884  14.623  -3.102
  141   1HZ   LYS  19          2HZ       LYS  19   1.012  13.687  -1.212
  142   2HZ   LYS  19          1HZ       LYS  19   1.345  15.291  -1.565
  143   3HZ   LYS  19          3HZ       LYS  19  -0.193  14.861  -0.997
  144    H    CYS  20           H        CYS  20  -0.356  10.121  -2.629
  145    HA   CYS  20           HA       CYS  20  -1.690   8.862  -4.899
  146   1HB   CYS  20          2HB       CYS  20  -1.998   8.812  -2.255
  147   2HB   CYS  20          1HB       CYS  20  -3.205  10.015  -2.558
  148    H    ILE  21           H        ILE  21  -2.636   9.963  -6.474
  149    HA   ILE  21           HA       ILE  21  -2.650  12.880  -6.417
  150    HB   ILE  21           HB       ILE  21  -2.679  10.783  -8.643
  151   1HG1  ILE  21          2HG1      ILE  21  -0.570  11.040  -7.625
  152   2HG1  ILE  21          1HG1      ILE  21  -0.526  11.871  -9.179
  153   1HG2  ILE  21          1HG2      ILE  21  -2.708  13.796  -9.091
  154   2HG2  ILE  21          3HG2      ILE  21  -2.483  12.554 -10.307
  155   3HG2  ILE  21          2HG2      ILE  21  -4.025  12.680  -9.492
  156   1HD1  ILE  21          3HD1      ILE  21  -0.828  14.046  -8.068
  157   2HD1  ILE  21          2HD1      ILE  21  -0.853  13.257  -6.485
  158   3HD1  ILE  21          1HD1      ILE  21   0.496  13.073  -7.493
  159    H    TYR  22           H        TYR  22  -3.921  14.054  -7.386
  160    HA   TYR  22           HA       TYR  22  -6.764  13.343  -6.994
  161   1HB   TYR  22          2HB       TYR  22  -5.168  15.856  -6.522
  162   2HB   TYR  22          1HB       TYR  22  -6.870  15.660  -6.046
  163    HD1  TYR  22           HD1      TYR  22  -7.224  13.228  -4.777
  164    HD2  TYR  22           HD2      TYR  22  -3.594  15.417  -4.886
  165    HE1  TYR  22           HE1      TYR  22  -6.388  11.945  -2.852
  166    HE2  TYR  22           HE2      TYR  22  -2.786  14.135  -2.979
  167    HH   TYR  22           HH       TYR  22  -3.228  11.880  -2.033
  168    H    ALA  23           H        ALA  23  -4.716  14.861  -9.404
  169    HA   ALA  23           HA       ALA  23  -5.323  15.889 -11.465
  170   1HB   ALA  23          1HB       ALA  23  -7.553  13.801 -11.214
  171   2HB   ALA  23          3HB       ALA  23  -7.072  14.584 -12.701
  172   3HB   ALA  23          2HB       ALA  23  -5.967  13.475 -11.903
  173    H    TRP  24           H        TRP  24  -6.025  17.148  -9.305
  174    HA   TRP  24           HA       TRP  24  -7.098  19.070  -8.608
  175   1HB   TRP  24          2HB       TRP  24  -8.303  20.329 -10.157
  176   2HB   TRP  24          1HB       TRP  24  -7.724  19.146 -11.299
  177    HD1  TRP  24           HD1      TRP  24  -9.588  17.935 -12.718
  178    HE1  TRP  24           HE1      TRP  24 -12.079  17.796 -12.670
  179    HE3  TRP  24           HE3      TRP  24 -10.372  20.278  -8.300
  180    HZ2  TRP  24           HZ2      TRP  24 -14.128  18.549 -11.011
  181    HZ3  TRP  24           HZ3      TRP  24 -12.698  20.548  -7.507
  182    HH2  TRP  24           HH2      TRP  24 -14.578  19.685  -8.866
  183    H    TYR  25           H        TYR  25  -9.217  16.462  -9.607
  184    HA   TYR  25           HA       TYR  25 -11.491  16.786  -8.205
  185   1HB   TYR  25          2HB       TYR  25  -9.978  14.442  -9.096
  186   2HB   TYR  25          1HB       TYR  25 -10.808  14.058  -7.607
  187    HD1  TYR  25           HD1      TYR  25 -11.529  16.053 -10.706
  188    HD2  TYR  25           HD2      TYR  25 -12.933  13.172  -7.911
  189    HE1  TYR  25           HE1      TYR  25 -13.630  15.878 -11.948
  190    HE2  TYR  25           HE2      TYR  25 -15.043  13.003  -9.158
  191    HH   TYR  25           HH       TYR  25 -15.775  15.052 -11.898
  192    H    ASN  26           H        ASN  26 -12.402  16.539  -6.323
  193    HA   ASN  26           HA       ASN  26 -10.641  16.432  -3.896
  194   1HB   ASN  26          2HB       ASN  26 -11.942  18.583  -4.483
  195   2HB   ASN  26          1HB       ASN  26 -13.411  17.681  -4.140
  196   1HD2  ASN  26          2HD2      ASN  26 -12.865  17.701  -0.624
  197   2HD2  ASN  26          1HD2      ASN  26 -13.678  16.882  -1.883
  198    H    GLN  27           H        GLN  27 -11.267  14.072  -4.961
  199    HA   GLN  27           HA       GLN  27 -12.972  12.861  -2.899
  200   1HB   GLN  27          2HB       GLN  27 -14.511  13.544  -4.836
  201   2HB   GLN  27          1HB       GLN  27 -13.639  12.386  -5.832
  202   1HG   GLN  27          2HG       GLN  27 -14.277  10.546  -4.273
  203   2HG   GLN  27          1HG       GLN  27 -15.127  11.694  -3.249
  204   1HE2  GLN  27          2HE2      GLN  27 -17.002  11.597  -6.817
  205   2HE2  GLN  27          1HE2      GLN  27 -15.428  12.235  -6.714
  206    H    GLN  28           H        GLN  28 -11.082  11.767  -2.257
  207    HA   GLN  28           HA       GLN  28  -9.788   9.824  -2.097
  208   1HB   GLN  28          2HB       GLN  28 -10.668   9.118  -4.995
  209   2HB   GLN  28          1HB       GLN  28  -9.883   8.068  -3.865
  210   1HG   GLN  28          2HG       GLN  28 -12.525   9.253  -3.055
  211   2HG   GLN  28          1HG       GLN  28 -12.494   7.857  -4.098
  212   1HE2  GLN  28          2HE2      GLN  28 -12.189   7.143  -0.277
  213   2HE2  GLN  28          1HE2      GLN  28 -13.015   8.453  -0.987
  214    H    GLY  29           H        GLY  29  -8.046   8.760  -3.877
  215   1HA   GLY  29          2HA       GLY  29  -6.661  10.955  -5.199
  216   2HA   GLY  29          1HA       GLY  29  -5.790  10.137  -3.891
  217    H    SER  30           H        SER  30  -4.413   9.724  -5.905
  218    HA   SER  30           HA       SER  30  -4.929   6.961  -6.738
  219   1HB   SER  30          2HB       SER  30  -4.486   7.587  -9.181
  220   2HB   SER  30          1HB       SER  30  -6.016   8.200  -8.519
  221    HG   SER  30           HG       SER  30  -5.093  10.167  -8.167
  222    H    CYS  31           H        CYS  31  -3.145   5.876  -6.161
  223    HA   CYS  31           HA       CYS  31  -0.651   6.938  -5.571
  224   1HB   CYS  31          2HB       CYS  31  -1.621   4.508  -5.277
  225   2HB   CYS  31          1HB       CYS  31  -0.923   4.228  -6.855
  226    H    GLN  32           H        GLN  32   0.204   8.437  -7.024
  227    HA   GLN  32           HA       GLN  32   0.939   7.337  -9.691
  228   1HB   GLN  32          2HB       GLN  32  -0.924   9.315  -9.372
  229   2HB   GLN  32          1HB       GLN  32   0.560  10.237  -9.205
  230   1HG   GLN  32          2HG       GLN  32  -0.261  10.260 -11.520
  231   2HG   GLN  32          1HG       GLN  32   1.367   9.623 -11.351
  232   1HE2  GLN  32          2HE2      GLN  32  -1.567   6.716 -11.712
  233   2HE2  GLN  32          1HE2      GLN  32  -1.710   7.944 -10.557
  234    H    THR  33           H        THR  33   2.843   7.781 -10.563
  235    HA   THR  33           HA       THR  33   4.707   8.314  -8.511
  236    HB   THR  33           HB       THR  33   6.003   8.168 -11.221
  237    HG1  THR  33           HG1      THR  33   4.753   6.923 -12.220
  238   1HG2  THR  33          3HG2      THR  33   5.486   6.189  -9.086
  239   2HG2  THR  33          2HG2      THR  33   6.704   6.063 -10.376
  240   3HG2  THR  33          1HG2      THR  33   6.805   7.363  -9.181
  241    H    THR  34           H        THR  34   3.489  10.687  -8.689
  242    HA   THR  34           HA       THR  34   5.687  12.266  -9.471
  243    HB   THR  34           HB       THR  34   4.587  12.008 -11.778
  244    HG1  THR  34           HG1      THR  34   4.789  14.130 -12.110
  245   1HG2  THR  34          3HG2      THR  34   2.332  11.469 -10.729
  246   2HG2  THR  34          2HG2      THR  34   2.137  13.163 -10.331
  247   3HG2  THR  34          1HG2      THR  34   2.201  12.657 -12.019
  248    H    ILE  35           H        ILE  35   4.845  14.648  -9.596
  249    HA   ILE  35           HA       ILE  35   4.131  16.541  -8.472
  250    HB   ILE  35           HB       ILE  35   1.921  14.874  -8.189
  251   1HG1  ILE  35          2HG1      ILE  35   1.810  17.314  -8.445
  252   2HG1  ILE  35          1HG1      ILE  35   0.732  16.801  -7.175
  253   1HG2  ILE  35          2HG2      ILE  35   2.673  13.853  -6.033
  254   2HG2  ILE  35          1HG2      ILE  35   2.739  15.435  -5.315
  255   3HG2  ILE  35          3HG2      ILE  35   1.205  14.757  -5.872
  256   1HD1  ILE  35          3HD1      ILE  35   3.507  18.012  -6.728
  257   2HD1  ILE  35          2HD1      ILE  35   1.978  18.829  -6.503
  258   3HD1  ILE  35          1HD1      ILE  35   2.421  17.508  -5.447
  259    H    THR  36           H        THR  36   4.476  13.694  -6.500
  260    HA   THR  36           HA       THR  36   6.831  14.775  -5.077
  261    HB   THR  36           HB       THR  36   4.473  13.526  -3.543
  262    HG1  THR  36           HG1      THR  36   4.883  16.076  -4.546
  263   1HG2  THR  36          1HG2      THR  36   6.728  13.581  -2.399
  264   2HG2  THR  36          3HG2      THR  36   6.749  15.321  -2.621
  265   3HG2  THR  36          2HG2      THR  36   5.531  14.587  -1.599
  266    H    GLY  37           H        GLY  37   6.347  12.840  -7.209
  267   1HA   GLY  37          2HA       GLY  37   6.853  10.250  -5.762
  268   2HA   GLY  37          1HA       GLY  37   6.241  10.381  -7.412
  269    H    LEU  38           H        LEU  38   8.693  12.329  -6.234
  270    HA   LEU  38           HA       LEU  38  10.810  10.782  -7.649
  271   1HB   LEU  38          2HB       LEU  38  10.068  12.501  -9.164
  272   2HB   LEU  38          1HB       LEU  38   9.998  13.681  -7.892
  273    HG   LEU  38           HG       LEU  38  12.581  13.568  -7.778
  274   1HD1  LEU  38          3HD1      LEU  38  12.234  11.624 -10.116
  275   2HD1  LEU  38          2HD1      LEU  38  13.768  12.244  -9.528
  276   3HD1  LEU  38          1HD1      LEU  38  12.809  11.190  -8.515
  277   1HD2  LEU  38          3HD2      LEU  38  11.546  15.224  -9.329
  278   2HD2  LEU  38          2HD2      LEU  38  13.058  14.612  -9.975
  279   3HD2  LEU  38          1HD2      LEU  38  11.530  14.020 -10.608
  280    H    PHE  39           H        PHE  39  10.244  13.621  -5.601
  281    HA   PHE  39           HA       PHE  39  12.691  12.987  -4.039
  282   1HB   PHE  39          2HB       PHE  39  12.205  15.272  -2.987
  283   2HB   PHE  39          1HB       PHE  39  12.555  15.350  -4.699
  284    HD1  PHE  39           HD1      PHE  39  10.517  15.486  -6.334
  285    HD2  PHE  39           HD2      PHE  39  10.170  16.141  -2.133
  286    HE1  PHE  39           HE1      PHE  39   8.373  16.634  -6.680
  287    HE2  PHE  39           HE2      PHE  39   8.047  17.299  -2.496
  288    HZ   PHE  39           HZ       PHE  39   7.140  17.547  -4.772
  289    H    LYS  40           H        LYS  40  11.362  11.065  -3.472
  290    HA   LYS  40           HA       LYS  40   9.547  11.587  -1.138
  291   1HB   LYS  40          2HB       LYS  40   8.475   9.445  -1.702
  292   2HB   LYS  40          1HB       LYS  40   8.649  10.354  -3.167
  293   1HG   LYS  40          2HG       LYS  40   9.548   8.410  -3.976
  294   2HG   LYS  40          1HG       LYS  40  11.033   9.032  -3.300
  295   1HD   LYS  40          2HD       LYS  40  10.438   7.781  -1.125
  296   2HD   LYS  40          1HD       LYS  40   9.122   7.053  -2.014
  297   1HE   LYS  40          2HE       LYS  40  11.026   6.216  -3.699
  298   2HE   LYS  40          1HE       LYS  40  12.133   6.735  -2.457
  299   1HZ   LYS  40          3HZ       LYS  40  10.330   5.019  -1.146
  300   2HZ   LYS  40          2HZ       LYS  40  10.726   4.274  -2.587
  301   3HZ   LYS  40          1HZ       LYS  40  11.903   4.788  -1.490
  302    H    LYS  41           H        LYS  41   9.896  10.302   0.797
  303    HA   LYS  41           HA       LYS  41  12.628   9.086   0.946
  304   1HB   LYS  41          2HB       LYS  41  12.423  11.305   2.160
  305   2HB   LYS  41          1HB       LYS  41  11.224  10.552   3.217
  306   1HG   LYS  41          2HG       LYS  41  12.858   8.764   3.818
  307   2HG   LYS  41          1HG       LYS  41  14.048   9.473   2.744
  308   1HD   LYS  41          2HD       LYS  41  14.064  11.513   4.135
  309   2HD   LYS  41          1HD       LYS  41  12.844  10.792   5.192
  310   1HE   LYS  41          2HE       LYS  41  14.357   8.873   5.672
  311   2HE   LYS  41          1HE       LYS  41  15.579   9.544   4.601
  312   1HZ   LYS  41          2HZ       LYS  41  14.827  11.527   6.432
  313   2HZ   LYS  41          1HZ       LYS  41  15.162  10.113   7.306
  314   3HZ   LYS  41          3HZ       LYS  41  16.332  10.760   6.265
  315    H    CYS  42           H        CYS  42  11.441   7.255   0.335
  316    HA   CYS  42           HA       CYS  42  10.390   5.686   2.617
  317   1HB   CYS  42          2HB       CYS  42   8.483   6.031   1.236
  318   2HB   CYS  42          1HB       CYS  42   9.280   5.999  -0.254
   
  No H/Q in entry =         318
  Start of MODEL   11
    1   1H    CYS   1          3H        CYS   1   0.343   0.145   0.416
    2   2H    CYS   1          2H        CYS   1   1.755  -0.591   1.009
    3   3H    CYS   1          1H        CYS   1   1.785   1.036   0.497
    4    HA   CYS   1           HA       CYS   1   2.367   0.458  -1.474
    5   1HB   CYS   1          2HB       CYS   1   2.405  -2.153  -0.257
    6   2HB   CYS   1          1HB       CYS   1   2.346  -2.073  -2.012
    7    H    ALA   2           H        ALA   2   0.577   1.307  -2.638
    8    HA   ALA   2           HA       ALA   2  -1.326  -0.694  -3.769
    9   1HB   ALA   2          1HB       ALA   2  -2.511   1.188  -2.408
   10   2HB   ALA   2          3HB       ALA   2  -1.755   2.364  -3.475
   11   3HB   ALA   2          2HB       ALA   2  -2.911   1.215  -4.113
   12    H    LYS   3           H        LYS   3  -1.842   0.330  -6.120
   13    HA   LYS   3           HA       LYS   3   0.644   1.589  -7.182
   14   1HB   LYS   3          2HB       LYS   3  -0.791  -0.911  -8.262
   15   2HB   LYS   3          1HB       LYS   3   0.395  -0.024  -9.204
   16   1HG   LYS   3          2HG       LYS   3   2.103  -0.418  -7.354
   17   2HG   LYS   3          1HG       LYS   3   0.900  -1.293  -6.453
   18   1HD   LYS   3          2HD       LYS   3   2.196  -2.992  -7.442
   19   2HD   LYS   3          1HD       LYS   3   0.743  -2.941  -8.413
   20   1HE   LYS   3          2HE       LYS   3   2.035  -1.517 -10.121
   21   2HE   LYS   3          1HE       LYS   3   3.476  -1.747  -9.145
   22   1HZ   LYS   3          3HZ       LYS   3   2.310  -4.273  -9.612
   23   2HZ   LYS   3          2HZ       LYS   3   2.398  -3.464 -11.089
   24   3HZ   LYS   3          1HZ       LYS   3   3.810  -3.718 -10.167
   25    H    LYS   4           H        LYS   4   0.171   2.498  -9.393
   26    HA   LYS   4           HA       LYS   4  -1.869   4.330  -9.233
   27   1HB   LYS   4          2HB       LYS   4  -1.539   4.813 -11.589
   28   2HB   LYS   4          1HB       LYS   4  -0.022   4.522 -10.793
   29   1HG   LYS   4          2HG       LYS   4  -0.060   2.143 -11.721
   30   2HG   LYS   4          1HG       LYS   4  -1.494   2.584 -12.621
   31   1HD   LYS   4          2HD       LYS   4  -0.101   4.579 -13.603
   32   2HD   LYS   4          1HD       LYS   4   1.284   3.857 -12.829
   33   1HE   LYS   4          2HE       LYS   4   1.193   3.137 -15.164
   34   2HE   LYS   4          1HE       LYS   4   0.983   1.758 -14.093
   35   1HZ   LYS   4          1HZ       LYS   4  -1.543   2.958 -14.634
   36   2HZ   LYS   4          3HZ       LYS   4  -0.735   2.630 -16.089
   37   3HZ   LYS   4          2HZ       LYS   4  -1.004   1.384 -14.970
   38    H    ARG   5           H        ARG   5  -3.991   4.312 -10.759
   39    HA   ARG   5           HA       ARG   5  -5.900   3.326 -11.729
   40   1HB   ARG   5          2HB       ARG   5  -4.078   1.607 -12.694
   41   2HB   ARG   5          1HB       ARG   5  -4.694   0.533 -11.459
   42   1HG   ARG   5          2HG       ARG   5  -6.974   0.669 -12.383
   43   2HG   ARG   5          1HG       ARG   5  -6.449   1.823 -13.595
   44   1HD   ARG   5          2HD       ARG   5  -4.764   0.021 -14.418
   45   2HD   ARG   5          1HD       ARG   5  -5.594  -1.113 -13.368
   46    HE   ARG   5           HE       ARG   5  -7.046   0.353 -15.568
   47   1HH1  ARG   5          1HH2      ARG   5  -8.648  -1.243 -13.772
   48   2HH1  ARG   5          2HH2      ARG   5  -8.799  -2.770 -14.562
   49   1HH2  ARG   5          2HH1      ARG   5  -5.993  -2.028 -16.615
   50   2HH2  ARG   5          1HH1      ARG   5  -7.156  -3.255 -16.294
   51    H    ASN   6           H        ASN   6  -4.434   1.428  -9.073
   52    HA   ASN   6           HA       ASN   6  -7.110   1.425  -7.659
   53   1HB   ASN   6          2HB       ASN   6  -4.925  -0.744  -7.717
   54   2HB   ASN   6          1HB       ASN   6  -6.325  -0.790  -6.671
   55   1HD2  ASN   6          2HD2      ASN   6  -8.092  -0.952 -10.201
   56   2HD2  ASN   6          1HD2      ASN   6  -7.682   0.508  -9.431
   57    H    TRP   7           H        TRP   7  -6.397   3.320  -7.122
   58    HA   TRP   7           HA       TRP   7  -4.116   4.014  -5.719
   59   1HB   TRP   7          2HB       TRP   7  -5.281   5.994  -5.142
   60   2HB   TRP   7          1HB       TRP   7  -5.726   5.569  -6.783
   61    HD1  TRP   7           HD1      TRP   7  -7.303   4.897  -3.278
   62    HE1  TRP   7           HE1      TRP   7  -9.692   5.684  -3.291
   63    HE3  TRP   7           HE3      TRP   7  -7.610   6.350  -8.132
   64    HZ2  TRP   7           HZ2      TRP   7 -11.423   6.660  -5.050
   65    HZ3  TRP   7           HZ3      TRP   7  -9.757   7.230  -8.945
   66    HH2  TRP   7           HH2      TRP   7 -11.683   7.384  -7.402
   67    H    CYS   8           H        CYS   8  -4.385   5.297  -3.821
   68    HA   CYS   8           HA       CYS   8  -4.784   3.536  -1.471
   69   1HB   CYS   8          2HB       CYS   8  -3.220   5.653  -0.680
   70   2HB   CYS   8          1HB       CYS   8  -2.621   4.150  -1.300
   71    H    GLY   9           H        GLY   9  -5.401   6.789  -2.577
   72   1HA   GLY   9          2HA       GLY   9  -7.629   7.778  -1.987
   73   2HA   GLY   9          1HA       GLY   9  -7.321   7.265  -0.304
   74    H    LYS  10           H        LYS  10  -4.763   7.643   0.155
   75    HA   LYS  10           HA       LYS  10  -3.728  10.153  -0.867
   76   1HB   LYS  10          2HB       LYS  10  -3.719  11.264   1.262
   77   2HB   LYS  10          1HB       LYS  10  -5.244  10.429   1.397
   78   1HG   LYS  10          2HG       LYS  10  -4.045   8.548   2.657
   79   2HG   LYS  10          1HG       LYS  10  -2.560   9.465   2.494
   80   1HD   LYS  10          2HD       LYS  10  -3.283   9.974   4.659
   81   2HD   LYS  10          1HD       LYS  10  -3.540  11.353   3.649
   82   1HE   LYS  10          2HE       LYS  10  -5.788  11.293   4.320
   83   2HE   LYS  10          1HE       LYS  10  -5.955   9.777   3.461
   84   1HZ   LYS  10          2HZ       LYS  10  -4.667   9.282   5.959
   85   2HZ   LYS  10          1HZ       LYS  10  -6.131  10.066   6.226
   86   3HZ   LYS  10          3HZ       LYS  10  -5.975   8.618   5.294
   87    H    ASN  11           H        ASN  11  -1.515  10.109  -0.429
   88    HA   ASN  11           HA       ASN  11  -0.132   7.911  -1.084
   89   1HB   ASN  11          2HB       ASN  11   1.777   8.886   0.488
   90   2HB   ASN  11          1HB       ASN  11   1.197   9.852  -0.848
   91   1HD2  ASN  11          2HD2      ASN  11   0.708  11.237   2.878
   92   2HD2  ASN  11          1HD2      ASN  11   1.644   9.864   2.527
   93    H    GLU  12           H        GLU  12  -1.460   8.152   2.150
   94    HA   GLU  12           HA       GLU  12  -0.134   6.695   3.885
   95   1HB   GLU  12          2HB       GLU  12  -2.992   6.318   2.997
   96   2HB   GLU  12          1HB       GLU  12  -2.357   5.282   4.263
   97   1HG   GLU  12          2HG       GLU  12  -1.663   7.192   5.590
   98   2HG   GLU  12          1HG       GLU  12  -2.103   8.332   4.348
   99    H    ASP  13           H        ASP  13  -2.028   4.468   1.875
  100    HA   ASP  13           HA       ASP  13   0.113   2.454   2.391
  101   1HB   ASP  13          2HB       ASP  13  -2.811   2.173   1.641
  102   2HB   ASP  13          1HB       ASP  13  -1.717   0.805   1.581
  103    H    CYS  14           H        CYS  14   0.531   4.439   0.304
  104    HA   CYS  14           HA       CYS  14   0.106   2.927  -2.240
  105   1HB   CYS  14          2HB       CYS  14   0.138   5.502  -2.071
  106   2HB   CYS  14          1HB       CYS  14   1.864   5.379  -1.798
  107    H    CYS  15           H        CYS  15   2.075   2.570  -3.551
  108    HA   CYS  15           HA       CYS  15   4.238   1.347  -1.886
  109   1HB   CYS  15          2HB       CYS  15   2.571   0.083  -3.712
  110   2HB   CYS  15          1HB       CYS  15   3.841   0.588  -4.729
  111    H    CYS  16           H        CYS  16   5.430   3.097  -1.767
  112    HA   CYS  16           HA       CYS  16   6.086   5.046  -3.580
  113   1HB   CYS  16          2HB       CYS  16   8.409   5.047  -2.566
  114   2HB   CYS  16          1HB       CYS  16   7.050   5.310  -1.523
  115    HA   PRO  17           HA       PRO  17   7.696   6.213  -4.061
  116   1HB   PRO  17          2HB       PRO  17   9.488   7.297  -5.533
  117   2HB   PRO  17          1HB       PRO  17  10.034   5.934  -4.508
  118   1HG   PRO  17          2HG       PRO  17   9.366   5.999  -7.530
  119   2HG   PRO  17          1HG       PRO  17  10.650   5.075  -6.744
  120   1HD   PRO  17          2HD       PRO  17   7.961   4.125  -7.321
  121   2HD   PRO  17          1HD       PRO  17   9.208   3.272  -6.394
  122    H    MET  18           H        MET  18   5.664   6.269  -4.544
  123    HA   MET  18           HA       MET  18   4.934   8.207  -6.622
  124   1HB   MET  18          2HB       MET  18   3.715   5.695  -5.725
  125   2HB   MET  18          1HB       MET  18   2.858   6.824  -6.760
  126   1HG   MET  18          2HG       MET  18   3.970   6.048  -8.625
  127   2HG   MET  18          1HG       MET  18   5.504   6.094  -7.781
  128   1HE   MET  18          1HE       MET  18   2.315   4.480  -7.201
  129   2HE   MET  18          3HE       MET  18   2.586   2.751  -7.127
  130   3HE   MET  18          2HE       MET  18   3.130   3.778  -5.800
  131    H    LYS  19           H        LYS  19   3.059   9.149  -6.112
  132    HA   LYS  19           HA       LYS  19   2.401   9.204  -3.156
  133   1HB   LYS  19          2HB       LYS  19   3.897  11.119  -4.238
  134   2HB   LYS  19          1HB       LYS  19   2.386  11.623  -4.954
  135   1HG   LYS  19          2HG       LYS  19   2.858  11.400  -1.940
  136   2HG   LYS  19          1HG       LYS  19   2.964  12.894  -2.839
  137   1HD   LYS  19          2HD       LYS  19   0.609  12.646  -3.571
  138   2HD   LYS  19          1HD       LYS  19   0.462  11.233  -2.542
  139   1HE   LYS  19          2HE       LYS  19   1.167  12.679  -0.567
  140   2HE   LYS  19          1HE       LYS  19   1.018  14.064  -1.640
  141   1HZ   LYS  19          3HZ       LYS  19  -1.246  12.476  -1.998
  142   2HZ   LYS  19          2HZ       LYS  19  -0.988  12.618  -0.311
  143   3HZ   LYS  19          1HZ       LYS  19  -1.177  14.022  -1.273
  144    H    CYS  20           H        CYS  20   0.014   9.423  -2.832
  145    HA   CYS  20           HA       CYS  20  -1.495   8.676  -5.205
  146   1HB   CYS  20          2HB       CYS  20  -1.821   8.635  -2.369
  147   2HB   CYS  20          1HB       CYS  20  -3.056   9.730  -2.896
  148    H    ILE  21           H        ILE  21  -2.127  10.117  -6.653
  149    HA   ILE  21           HA       ILE  21  -1.663  13.013  -6.327
  150    HB   ILE  21           HB       ILE  21  -2.475  11.347  -8.745
  151   1HG1  ILE  21          2HG1      ILE  21  -0.373  10.717  -8.059
  152   2HG1  ILE  21          1HG1      ILE  21  -0.284  11.662  -9.566
  153   1HG2  ILE  21          1HG2      ILE  21  -1.536  14.227  -8.776
  154   2HG2  ILE  21          3HG2      ILE  21  -1.703  13.192 -10.178
  155   3HG2  ILE  21          2HG2      ILE  21  -3.126  13.625  -9.275
  156   1HD1  ILE  21          2HD1      ILE  21   0.549  13.613  -8.224
  157   2HD1  ILE  21          1HD1      ILE  21   0.515  12.534  -6.837
  158   3HD1  ILE  21          3HD1      ILE  21   1.605  12.210  -8.130
  159    H    TYR  22           H        TYR  22  -3.247  14.450  -7.521
  160    HA   TYR  22           HA       TYR  22  -6.050  13.609  -7.029
  161   1HB   TYR  22          2HB       TYR  22  -4.679  16.124  -6.019
  162   2HB   TYR  22          1HB       TYR  22  -6.426  15.857  -5.893
  163    HD1  TYR  22           HD1      TYR  22  -3.105  14.777  -4.756
  164    HD2  TYR  22           HD2      TYR  22  -7.285  14.043  -4.440
  165    HE1  TYR  22           HE1      TYR  22  -2.714  13.297  -2.863
  166    HE2  TYR  22           HE2      TYR  22  -6.887  12.579  -2.546
  167    HH   TYR  22           HH       TYR  22  -5.252  11.395  -1.478
  168    H    ALA  23           H        ALA  23  -7.658  15.066  -7.913
  169    HA   ALA  23           HA       ALA  23  -6.824  16.678 -10.243
  170   1HB   ALA  23          2HB       ALA  23  -7.324  14.349 -11.101
  171   2HB   ALA  23          1HB       ALA  23  -8.906  14.419 -10.341
  172   3HB   ALA  23          3HB       ALA  23  -8.523  15.497 -11.670
  173    H    TRP  24           H        TRP  24  -8.557  18.137 -10.818
  174    HA   TRP  24           HA       TRP  24  -9.784  19.627  -8.882
  175   1HB   TRP  24          2HB       TRP  24 -11.202  20.533 -10.588
  176   2HB   TRP  24          1HB       TRP  24  -9.780  19.996 -11.452
  177    HD1  TRP  24           HD1      TRP  24 -10.203  17.803 -13.200
  178    HE1  TRP  24           HE1      TRP  24 -12.306  16.684 -13.984
  179    HE3  TRP  24           HE3      TRP  24 -13.330  19.917  -9.923
  180    HZ2  TRP  24           HZ2      TRP  24 -15.019  16.689 -13.259
  181    HZ3  TRP  24           HZ3      TRP  24 -15.694  19.354  -9.952
  182    HH2  TRP  24           HH2      TRP  24 -16.573  17.726 -11.637
  183    H    TYR  25           H        TYR  25 -11.277  16.804 -10.309
  184    HA   TYR  25           HA       TYR  25 -13.776  16.811  -9.092
  185   1HB   TYR  25          2HB       TYR  25 -14.029  14.637  -9.784
  186   2HB   TYR  25          1HB       TYR  25 -12.725  15.133 -10.828
  187    HD1  TYR  25           HD2      TYR  25 -10.568  14.745  -8.313
  188    HD2  TYR  25           HD1      TYR  25 -13.531  12.358 -10.222
  189    HE1  TYR  25           HE2      TYR  25  -9.400  12.710  -7.605
  190    HE2  TYR  25           HE1      TYR  25 -12.348  10.339  -9.517
  191    HH   TYR  25           HH       TYR  25 -10.349  10.117  -7.171
  192    H    ASN  26           H        ASN  26 -10.977  16.602  -7.344
  193    HA   ASN  26           HA       ASN  26 -10.371  15.663  -5.254
  194   1HB   ASN  26          2HB       ASN  26 -11.239  17.990  -4.989
  195   2HB   ASN  26          1HB       ASN  26 -12.839  17.335  -4.670
  196   1HD2  ASN  26          2HD2      ASN  26 -12.007  17.171  -1.254
  197   2HD2  ASN  26          1HD2      ASN  26 -13.163  17.599  -2.425
  198    H    GLN  27           H        GLN  27 -11.338  13.517  -6.203
  199    HA   GLN  27           HA       GLN  27 -13.164  12.396  -4.112
  200   1HB   GLN  27          2HB       GLN  27 -13.626  12.483  -6.929
  201   2HB   GLN  27          1HB       GLN  27 -13.098  10.843  -6.654
  202   1HG   GLN  27          2HG       GLN  27 -15.466  12.220  -5.367
  203   2HG   GLN  27          1HG       GLN  27 -15.492  10.825  -6.427
  204   1HE2  GLN  27          2HE2      GLN  27 -15.575  10.030  -2.622
  205   2HE2  GLN  27          1HE2      GLN  27 -16.194  11.419  -3.388
  206    H    GLN  28           H        GLN  28 -11.166  12.139  -3.017
  207    HA   GLN  28           HA       GLN  28  -9.471  10.781  -2.137
  208   1HB   GLN  28          2HB       GLN  28 -10.225   8.792  -4.371
  209   2HB   GLN  28          1HB       GLN  28  -9.298   8.416  -2.950
  210   1HG   GLN  28          2HG       GLN  28 -11.190   8.933  -1.466
  211   2HG   GLN  28          1HG       GLN  28 -12.164   9.417  -2.851
  212   1HE2  GLN  28          2HE2      GLN  28 -13.208   6.147  -3.420
  213   2HE2  GLN  28          1HE2      GLN  28 -13.478   7.819  -3.620
  214    H    GLY  29           H        GLY  29  -7.485   9.302  -3.367
  215   1HA   GLY  29          2HA       GLY  29  -6.488  11.043  -5.560
  216   2HA   GLY  29          1HA       GLY  29  -5.485  10.844  -4.118
  217    H    SER  30           H        SER  30  -4.788  10.072  -6.775
  218    HA   SER  30           HA       SER  30  -4.597   7.149  -6.381
  219   1HB   SER  30          2HB       SER  30  -4.512   7.138  -9.049
  220   2HB   SER  30          1HB       SER  30  -6.066   7.555  -8.314
  221    HG   SER  30           HG       SER  30  -4.276   9.193  -9.621
  222    H    CYS  31           H        CYS  31  -2.818   6.190  -6.157
  223    HA   CYS  31           HA       CYS  31  -0.300   7.119  -5.948
  224   1HB   CYS  31          2HB       CYS  31  -1.266   4.492  -6.997
  225   2HB   CYS  31          1HB       CYS  31   0.419   4.801  -6.844
  226    H    GLN  32           H        GLN  32   0.784   8.554  -7.389
  227    HA   GLN  32           HA       GLN  32   1.338   7.400 -10.086
  228   1HB   GLN  32          2HB       GLN  32  -0.450   9.427  -9.890
  229   2HB   GLN  32          1HB       GLN  32   1.024  10.227  -9.318
  230   1HG   GLN  32          2HG       GLN  32   0.491  10.947 -11.533
  231   2HG   GLN  32          1HG       GLN  32   2.093  10.272 -11.312
  232   1HE2  GLN  32          2HE2      GLN  32  -0.746   8.147 -13.419
  233   2HE2  GLN  32          1HE2      GLN  32  -1.234   9.246 -12.222
  234    H    THR  33           H        THR  33   3.378   8.092 -10.921
  235    HA   THR  33           HA       THR  33   5.057   8.232  -8.638
  236    HB   THR  33           HB       THR  33   6.567   8.525 -11.254
  237    HG1  THR  33           HG1      THR  33   5.290   7.414 -12.461
  238   1HG2  THR  33          3HG2      THR  33   7.119   7.294  -9.152
  239   2HG2  THR  33          2HG2      THR  33   5.901   6.112  -9.683
  240   3HG2  THR  33          1HG2      THR  33   7.323   6.413 -10.687
  241    H    THR  34           H        THR  34   3.923  10.614  -8.458
  242    HA   THR  34           HA       THR  34   6.218  12.240  -8.823
  243    HB   THR  34           HB       THR  34   5.124  12.444 -11.142
  244    HG1  THR  34           HG1      THR  34   5.398  14.570 -11.128
  245   1HG2  THR  34          1HG2      THR  34   2.821  11.903 -10.208
  246   2HG2  THR  34          3HG2      THR  34   2.760  13.512  -9.512
  247   3HG2  THR  34          2HG2      THR  34   2.806  13.308 -11.262
  248    H    ILE  35           H        ILE  35   5.495  14.619  -8.482
  249    HA   ILE  35           HA       ILE  35   4.994  16.280  -6.973
  250    HB   ILE  35           HB       ILE  35   2.538  14.998  -7.156
  251   1HG1  ILE  35          2HG1      ILE  35   3.290  16.991  -4.929
  252   2HG1  ILE  35          1HG1      ILE  35   3.048  17.438  -6.601
  253   1HG2  ILE  35          1HG2      ILE  35   3.149  13.365  -5.321
  254   2HG2  ILE  35          3HG2      ILE  35   3.255  14.709  -4.218
  255   3HG2  ILE  35          2HG2      ILE  35   1.719  14.287  -4.986
  256   1HD1  ILE  35          1HD1      ILE  35   0.683  16.689  -6.487
  257   2HD1  ILE  35          3HD1      ILE  35   0.899  16.243  -4.796
  258   3HD1  ILE  35          2HD1      ILE  35   1.034  17.920  -5.288
  259    H    THR  36           H        THR  36   4.998  13.012  -5.619
  260    HA   THR  36           HA       THR  36   7.361  13.630  -3.971
  261    HB   THR  36           HB       THR  36   4.968  12.168  -2.692
  262    HG1  THR  36           HG1      THR  36   5.369  14.872  -3.256
  263   1HG2  THR  36          2HG2      THR  36   7.146  13.975  -1.530
  264   2HG2  THR  36          1HG2      THR  36   5.978  13.033  -0.619
  265   3HG2  THR  36          3HG2      THR  36   7.241  12.223  -1.532
  266    H    GLY  37           H        GLY  37   6.787  12.347  -6.420
  267   1HA   GLY  37          2HA       GLY  37   7.180   9.462  -5.793
  268   2HA   GLY  37          1HA       GLY  37   6.636  10.103  -7.352
  269    H    LEU  38           H        LEU  38   8.637  12.217  -6.980
  270    HA   LEU  38           HA       LEU  38  10.905  10.721  -8.192
  271   1HB   LEU  38          2HB       LEU  38   9.920  12.369  -9.537
  272   2HB   LEU  38          1HB       LEU  38   9.800  13.505  -8.228
  273    HG   LEU  38           HG       LEU  38  12.355  13.736  -8.248
  274   1HD1  LEU  38          1HD1      LEU  38  12.213  11.821 -10.619
  275   2HD1  LEU  38          3HD1      LEU  38  13.650  12.640 -10.040
  276   3HD1  LEU  38          2HD1      LEU  38  12.880  11.428  -9.045
  277   1HD2  LEU  38          2HD2      LEU  38  10.974  15.237  -9.690
  278   2HD2  LEU  38          1HD2      LEU  38  12.520  14.888 -10.437
  279   3HD2  LEU  38          3HD2      LEU  38  11.072  14.072 -10.999
  280    H    PHE  39           H        PHE  39  10.331  13.465  -6.037
  281    HA   PHE  39           HA       PHE  39  12.798  12.800  -4.502
  282   1HB   PHE  39          2HB       PHE  39  12.365  15.239  -3.631
  283   2HB   PHE  39          1HB       PHE  39  12.943  15.070  -5.282
  284    HD1  PHE  39           HD1      PHE  39  11.332  15.274  -7.188
  285    HD2  PHE  39           HD2      PHE  39  10.130  16.093  -3.185
  286    HE1  PHE  39           HE1      PHE  39   9.312  16.399  -8.020
  287    HE2  PHE  39           HE2      PHE  39   8.126  17.218  -4.022
  288    HZ   PHE  39           HZ       PHE  39   7.714  17.379  -6.433
  289    H    LYS  40           H        LYS  40  11.774  11.108  -3.285
  290    HA   LYS  40           HA       LYS  40   9.969  12.119  -1.136
  291   1HB   LYS  40          2HB       LYS  40   8.392  10.354  -1.485
  292   2HB   LYS  40          1HB       LYS  40   8.934  10.658  -3.092
  293   1HG   LYS  40          2HG       LYS  40   9.951   8.392  -1.314
  294   2HG   LYS  40          1HG       LYS  40   8.813   8.236  -2.615
  295   1HD   LYS  40          2HD       LYS  40  11.754   8.961  -2.873
  296   2HD   LYS  40          1HD       LYS  40  10.952   7.510  -3.402
  297   1HE   LYS  40          2HE       LYS  40   9.436   9.120  -4.817
  298   2HE   LYS  40          1HE       LYS  40  10.657  10.319  -4.549
  299   1HZ   LYS  40          2HZ       LYS  40  11.908   7.926  -5.372
  300   2HZ   LYS  40          1HZ       LYS  40  10.692   8.385  -6.477
  301   3HZ   LYS  40          3HZ       LYS  40  11.923   9.466  -6.075
  302    H    LYS  41           H        LYS  41  10.049  10.398   0.702
  303    HA   LYS  41           HA       LYS  41  12.832   9.294   0.860
  304   1HB   LYS  41          2HB       LYS  41  12.274  11.443   2.215
  305   2HB   LYS  41          1HB       LYS  41  11.279  10.470   3.242
  306   1HG   LYS  41          2HG       LYS  41  14.293  10.201   2.676
  307   2HG   LYS  41          1HG       LYS  41  13.619  10.800   4.159
  308   1HD   LYS  41          2HD       LYS  41  13.203   7.886   3.279
  309   2HD   LYS  41          1HD       LYS  41  14.624   8.412   4.120
  310   1HE   LYS  41          2HE       LYS  41  13.022   7.472   5.714
  311   2HE   LYS  41          1HE       LYS  41  13.309   9.172   6.054
  312   1HZ   LYS  41          2HZ       LYS  41  11.205   8.953   4.233
  313   2HZ   LYS  41          1HZ       LYS  41  10.871   7.892   5.461
  314   3HZ   LYS  41          3HZ       LYS  41  11.114   9.540   5.824
  315    H    CYS  42           H        CYS  42  11.689   7.349  -0.005
  316    HA   CYS  42           HA       CYS  42  10.561   5.724   2.198
  317   1HB   CYS  42          2HB       CYS  42   8.726   6.651   0.535
  318   2HB   CYS  42          1HB       CYS  42   9.534   5.693  -0.674
   
  No H/Q in entry =         318
  Start of MODEL   12
    1   1H    CYS   1          3H        CYS   1   0.415   0.551  -0.012
    2   2H    CYS   1          2H        CYS   1   1.766   0.076   0.895
    3   3H    CYS   1          1H        CYS   1   1.661   1.670   0.301
    4    HA   CYS   1           HA       CYS   1   2.710   1.082  -1.517
    5   1HB   CYS   1          2HB       CYS   1   3.901  -0.377  -0.350
    6   2HB   CYS   1          1HB       CYS   1   2.615  -1.604  -0.351
    7    H    ALA   2           H        ALA   2   1.067   1.636  -2.980
    8    HA   ALA   2           HA       ALA   2  -0.725  -0.541  -3.992
    9   1HB   ALA   2          1HB       ALA   2  -0.876   2.518  -4.322
   10   2HB   ALA   2          3HB       ALA   2  -2.067   1.382  -4.936
   11   3HB   ALA   2          2HB       ALA   2  -1.854   1.577  -3.204
   12    H    LYS   3           H        LYS   3  -0.871  -0.327  -6.596
   13    HA   LYS   3           HA       LYS   3   1.904   0.398  -7.581
   14   1HB   LYS   3          2HB       LYS   3   0.909  -2.175  -7.420
   15   2HB   LYS   3          1HB       LYS   3   0.364  -1.728  -9.021
   16   1HG   LYS   3          2HG       LYS   3   2.735  -1.052  -9.590
   17   2HG   LYS   3          1HG       LYS   3   3.247  -1.686  -8.036
   18   1HD   LYS   3          2HD       LYS   3   2.161  -3.948  -8.751
   19   2HD   LYS   3          1HD       LYS   3   1.897  -3.220 -10.314
   20   1HE   LYS   3          2HE       LYS   3   3.925  -4.498 -10.490
   21   2HE   LYS   3          1HE       LYS   3   4.376  -2.804 -10.550
   22   1HZ   LYS   3          1HZ       LYS   3   4.323  -3.751  -7.852
   23   2HZ   LYS   3          3HZ       LYS   3   5.306  -4.734  -8.804
   24   3HZ   LYS   3          2HZ       LYS   3   5.626  -3.081  -8.711
   25    H    LYS   4           H        LYS   4  -0.446   1.893  -7.473
   26    HA   LYS   4           HA       LYS   4  -1.400   3.633  -8.669
   27   1HB   LYS   4          2HB       LYS   4  -0.462   2.385 -11.325
   28   2HB   LYS   4          1HB       LYS   4  -1.010   4.023 -11.048
   29   1HG   LYS   4          2HG       LYS   4   1.106   4.288  -9.572
   30   2HG   LYS   4          1HG       LYS   4   1.686   2.850 -10.388
   31   1HD   LYS   4          2HD       LYS   4   1.101   4.029 -12.642
   32   2HD   LYS   4          1HD       LYS   4   0.699   5.446 -11.705
   33   1HE   LYS   4          2HE       LYS   4   2.938   5.754 -12.585
   34   2HE   LYS   4          1HE       LYS   4   3.031   5.586 -10.838
   35   1HZ   LYS   4          2HZ       LYS   4   3.158   3.020 -11.930
   36   2HZ   LYS   4          1HZ       LYS   4   4.232   4.008 -12.825
   37   3HZ   LYS   4          3HZ       LYS   4   4.379   3.896 -11.127
   38    H    ARG   5           H        ARG   5  -3.032   3.531 -10.861
   39    HA   ARG   5           HA       ARG   5  -4.852   2.570 -11.975
   40   1HB   ARG   5          2HB       ARG   5  -3.983  -0.132 -10.784
   41   2HB   ARG   5          1HB       ARG   5  -5.107   0.107 -12.085
   42   1HG   ARG   5          2HG       ARG   5  -2.454   1.379 -12.618
   43   2HG   ARG   5          1HG       ARG   5  -2.359  -0.339 -12.356
   44   1HD   ARG   5          2HD       ARG   5  -2.691   0.079 -14.745
   45   2HD   ARG   5          1HD       ARG   5  -4.117  -0.709 -14.094
   46    HE   ARG   5           HE       ARG   5  -5.155   1.632 -13.985
   47   1HH1  ARG   5          1HH2      ARG   5  -3.070   3.361 -14.758
   48   2HH1  ARG   5          2HH2      ARG   5  -3.188   3.518 -16.473
   49   1HH2  ARG   5          2HH1      ARG   5  -5.131   0.548 -16.659
   50   2HH2  ARG   5          1HH1      ARG   5  -4.443   1.756 -17.663
   51    H    ASN   6           H        ASN   6  -4.371   0.920  -8.910
   52    HA   ASN   6           HA       ASN   6  -7.219   1.498  -8.117
   53   1HB   ASN   6          2HB       ASN   6  -5.778  -0.872  -7.716
   54   2HB   ASN   6          1HB       ASN   6  -5.196   0.039  -6.341
   55   1HD2  ASN   6          2HD2      ASN   6  -8.350  -0.134  -4.655
   56   2HD2  ASN   6          1HD2      ASN   6  -6.847   0.667  -4.647
   57    H    TRP   7           H        TRP   7  -7.361   3.209  -6.559
   58    HA   TRP   7           HA       TRP   7  -4.716   4.524  -6.217
   59   1HB   TRP   7          2HB       TRP   7  -5.998   6.441  -5.425
   60   2HB   TRP   7          1HB       TRP   7  -6.562   5.968  -7.017
   61    HD1  TRP   7           HD1      TRP   7  -7.639   4.702  -3.570
   62    HE1  TRP   7           HE1      TRP   7 -10.120   4.994  -3.282
   63    HE3  TRP   7           HE3      TRP   7  -8.591   6.935  -7.973
   64    HZ2  TRP   7           HZ2      TRP   7 -12.155   5.996  -4.683
   65    HZ3  TRP   7           HZ3      TRP   7 -10.936   7.567  -8.496
   66    HH2  TRP   7           HH2      TRP   7 -12.733   7.087  -6.852
   67    H    CYS   8           H        CYS   8  -4.474   5.630  -4.188
   68    HA   CYS   8           HA       CYS   8  -4.694   3.751  -1.903
   69   1HB   CYS   8          2HB       CYS   8  -2.893   5.575  -1.148
   70   2HB   CYS   8          1HB       CYS   8  -2.471   4.262  -2.207
   71    H    GLY   9           H        GLY   9  -5.980   6.535  -3.226
   72   1HA   GLY   9          2HA       GLY   9  -7.787   7.858  -2.397
   73   2HA   GLY   9          1HA       GLY   9  -7.563   7.118  -0.802
   74    H    LYS  10           H        LYS  10  -5.104   7.485  -0.076
   75    HA   LYS  10           HA       LYS  10  -4.135  10.220  -0.557
   76   1HB   LYS  10          2HB       LYS  10  -5.535  10.318   1.502
   77   2HB   LYS  10          1HB       LYS  10  -4.741   8.901   2.164
   78   1HG   LYS  10          2HG       LYS  10  -2.540  10.187   2.149
   79   2HG   LYS  10          1HG       LYS  10  -3.361  11.612   1.601
   80   1HD   LYS  10          2HD       LYS  10  -3.613  10.097   4.225
   81   2HD   LYS  10          1HD       LYS  10  -2.914  11.642   3.995
   82   1HE   LYS  10          2HE       LYS  10  -5.017  12.709   3.970
   83   2HE   LYS  10          1HE       LYS  10  -5.855  11.332   3.278
   84   1HZ   LYS  10          3HZ       LYS  10  -4.804  10.559   5.763
   85   2HZ   LYS  10          2HZ       LYS  10  -5.706  11.981   6.026
   86   3HZ   LYS  10          1HZ       LYS  10  -6.354  10.577   5.287
   87    H    ASN  11           H        ASN  11  -1.849  10.225   0.031
   88    HA   ASN  11           HA       ASN  11  -0.356   8.140  -0.968
   89   1HB   ASN  11          2HB       ASN  11   0.853  10.115  -0.534
   90   2HB   ASN  11          1HB       ASN  11   0.262  10.267   1.116
   91   1HD2  ASN  11          2HD2      ASN  11   3.680   8.192   0.533
   92   2HD2  ASN  11          1HD2      ASN  11   2.857   8.686  -0.865
   93    H    GLU  12           H        GLU  12  -1.952   8.190   2.064
   94    HA   GLU  12           HA       GLU  12  -0.891   6.656   3.911
   95   1HB   GLU  12          2HB       GLU  12  -3.629   6.334   2.613
   96   2HB   GLU  12          1HB       GLU  12  -3.213   5.429   4.053
   97   1HG   GLU  12          2HG       GLU  12  -2.664   7.469   5.276
   98   2HG   GLU  12          1HG       GLU  12  -2.839   8.426   3.829
   99    H    ASP  13           H        ASP  13  -2.381   4.661   1.282
  100    HA   ASP  13           HA       ASP  13  -0.476   2.505   2.104
  101   1HB   ASP  13          2HB       ASP  13  -2.112   0.893   1.171
  102   2HB   ASP  13          1HB       ASP  13  -2.970   1.963   2.269
  103    H    CYS  14           H        CYS  14   0.237   4.676   0.209
  104    HA   CYS  14           HA       CYS  14   0.289   3.294  -2.440
  105   1HB   CYS  14          2HB       CYS  14  -0.233   5.657  -2.249
  106   2HB   CYS  14          1HB       CYS  14   1.301   5.967  -1.469
  107    H    CYS  15           H        CYS  15   2.295   3.140  -3.542
  108    HA   CYS  15           HA       CYS  15   4.484   2.186  -1.746
  109   1HB   CYS  15          2HB       CYS  15   3.149   0.699  -3.626
  110   2HB   CYS  15          1HB       CYS  15   4.415   1.341  -4.602
  111    H    CYS  16           H        CYS  16   6.019   3.429  -1.650
  112    HA   CYS  16           HA       CYS  16   6.572   5.695  -3.153
  113   1HB   CYS  16          2HB       CYS  16   8.919   5.496  -2.312
  114   2HB   CYS  16          1HB       CYS  16   7.675   5.398  -1.099
  115    HA   PRO  17           HA       PRO  17   7.893   6.979  -3.777
  116   1HB   PRO  17          2HB       PRO  17   9.132   8.502  -5.543
  117   2HB   PRO  17          1HB       PRO  17  10.110   7.289  -4.677
  118   1HG   PRO  17          2HG       PRO  17   8.804   7.003  -7.462
  119   2HG   PRO  17          1HG       PRO  17  10.486   6.706  -7.011
  120   1HD   PRO  17          2HD       PRO  17   8.600   4.639  -7.006
  121   2HD   PRO  17          1HD       PRO  17  10.008   4.644  -5.932
  122    H    MET  18           H        MET  18   5.801   7.155  -3.779
  123    HA   MET  18           HA       MET  18   4.464   8.335  -6.166
  124   1HB   MET  18          2HB       MET  18   4.607   5.906  -6.252
  125   2HB   MET  18          1HB       MET  18   3.681   5.809  -4.783
  126   1HG   MET  18          2HG       MET  18   1.745   6.262  -5.934
  127   2HG   MET  18          1HG       MET  18   2.503   7.441  -6.889
  128   1HE   MET  18          3HE       MET  18   3.006   4.109  -5.840
  129   2HE   MET  18          2HE       MET  18   2.827   3.006  -7.162
  130   3HE   MET  18          1HE       MET  18   4.356   3.903  -6.931
  131    H    LYS  19           H        LYS  19   2.710   9.389  -5.745
  132    HA   LYS  19           HA       LYS  19   1.992   9.788  -2.820
  133   1HB   LYS  19          2HB       LYS  19   3.216  11.830  -3.873
  134   2HB   LYS  19          1HB       LYS  19   1.914  11.922  -5.017
  135   1HG   LYS  19          2HG       LYS  19   1.287  13.557  -3.436
  136   2HG   LYS  19          1HG       LYS  19   0.276  12.218  -3.027
  137   1HD   LYS  19          2HD       LYS  19   2.041  11.652  -1.172
  138   2HD   LYS  19          1HD       LYS  19   2.764  13.192  -1.563
  139   1HE   LYS  19          2HE       LYS  19   0.666  14.425  -1.089
  140   2HE   LYS  19          1HE       LYS  19  -0.174  12.928  -0.739
  141   1HZ   LYS  19          2HZ       LYS  19   2.109  13.078   0.936
  142   2HZ   LYS  19          1HZ       LYS  19   1.270  14.543   1.033
  143   3HZ   LYS  19          3HZ       LYS  19   0.463  13.098   1.364
  144    H    CYS  20           H        CYS  20  -0.409  10.314  -2.645
  145    HA   CYS  20           HA       CYS  20  -1.743   8.911  -4.885
  146   1HB   CYS  20          2HB       CYS  20  -2.077   8.927  -2.187
  147   2HB   CYS  20          1HB       CYS  20  -3.289  10.118  -2.591
  148    H    ILE  21           H        ILE  21  -2.762  10.143  -6.434
  149    HA   ILE  21           HA       ILE  21  -2.410  13.079  -6.347
  150    HB   ILE  21           HB       ILE  21  -3.202  11.292  -8.687
  151   1HG1  ILE  21          2HG1      ILE  21  -1.012  10.544  -8.062
  152   2HG1  ILE  21          1HG1      ILE  21  -0.890  11.563  -9.497
  153   1HG2  ILE  21          2HG2      ILE  21  -2.075  14.094  -8.671
  154   2HG2  ILE  21          1HG2      ILE  21  -2.348  13.107 -10.098
  155   3HG2  ILE  21          3HG2      ILE  21  -3.716  13.622  -9.144
  156   1HD1  ILE  21          2HD1      ILE  21  -0.114  13.448  -8.063
  157   2HD1  ILE  21          1HD1      ILE  21  -0.249  12.354  -6.691
  158   3HD1  ILE  21          3HD1      ILE  21   0.930  12.034  -7.919
  159    H    TYR  22           H        TYR  22  -4.102  14.275  -7.349
  160    HA   TYR  22           HA       TYR  22  -6.850  13.254  -6.749
  161   1HB   TYR  22          2HB       TYR  22  -5.508  15.890  -6.011
  162   2HB   TYR  22          1HB       TYR  22  -7.236  15.584  -5.780
  163    HD1  TYR  22           HD1      TYR  22  -7.939  13.689  -4.251
  164    HD2  TYR  22           HD2      TYR  22  -3.858  14.831  -4.586
  165    HE1  TYR  22           HE1      TYR  22  -7.424  12.437  -2.239
  166    HE2  TYR  22           HE2      TYR  22  -3.351  13.553  -2.549
  167    HH   TYR  22           HH       TYR  22  -5.620  11.411  -1.201
  168    H    ALA  23           H        ALA  23  -5.447  16.150  -8.169
  169    HA   ALA  23           HA       ALA  23  -5.501  17.030 -10.336
  170   1HB   ALA  23          1HB       ALA  23  -5.982  14.730 -11.321
  171   2HB   ALA  23          3HB       ALA  23  -7.695  14.941 -10.995
  172   3HB   ALA  23          2HB       ALA  23  -6.879  15.977 -12.147
  173    H    TRP  24           H        TRP  24  -8.286  17.141 -11.622
  174    HA   TRP  24           HA       TRP  24  -9.200  19.523 -10.181
  175   1HB   TRP  24          2HB       TRP  24 -10.870  19.669 -11.963
  176   2HB   TRP  24          1HB       TRP  24  -9.387  19.151 -12.748
  177    HD1  TRP  24           HD1      TRP  24  -9.474  16.567 -13.837
  178    HE1  TRP  24           HE1      TRP  24 -11.307  14.869 -14.038
  179    HE3  TRP  24           HE3      TRP  24 -12.808  18.818 -10.858
  180    HZ2  TRP  24           HZ2      TRP  24 -13.902  14.522 -13.039
  181    HZ3  TRP  24           HZ3      TRP  24 -14.965  17.800 -10.462
  182    HH2  TRP  24           HH2      TRP  24 -15.550  15.619 -11.561
  183    H    TYR  25           H        TYR  25  -9.902  16.202 -10.251
  184    HA   TYR  25           HA       TYR  25 -12.432  15.957  -9.212
  185   1HB   TYR  25          2HB       TYR  25  -9.967  14.282  -9.150
  186   2HB   TYR  25          1HB       TYR  25 -11.063  13.914  -7.838
  187    HD1  TYR  25           HD1      TYR  25 -13.570  13.712  -8.430
  188    HD2  TYR  25           HD2      TYR  25 -10.470  13.392 -11.340
  189    HE1  TYR  25           HE1      TYR  25 -15.105  12.585  -9.910
  190    HE2  TYR  25           HE2      TYR  25 -12.017  12.254 -12.832
  191    HH   TYR  25           HH       TYR  25 -14.095  11.189 -12.998
  192    H    ASN  26           H        ASN  26 -13.322  15.498  -7.227
  193    HA   ASN  26           HA       ASN  26 -12.086  16.915  -4.904
  194   1HB   ASN  26          2HB       ASN  26 -14.189  17.941  -6.095
  195   2HB   ASN  26          1HB       ASN  26 -15.055  16.574  -5.404
  196   1HD2  ASN  26          2HD2      ASN  26 -14.594  19.619  -2.960
  197   2HD2  ASN  26          1HD2      ASN  26 -14.695  19.748  -4.653
  198    H    GLN  27           H        GLN  27 -11.404  15.320  -3.667
  199    HA   GLN  27           HA       GLN  27 -11.546  13.658  -1.998
  200   1HB   GLN  27          2HB       GLN  27 -14.108  13.909  -1.976
  201   2HB   GLN  27          1HB       GLN  27 -14.196  12.784  -3.321
  202   1HG   GLN  27          2HG       GLN  27 -13.111  11.006  -1.920
  203   2HG   GLN  27          1HG       GLN  27 -13.168  12.096  -0.547
  204   1HE2  GLN  27          2HE2      GLN  27 -16.987  11.798  -1.197
  205   2HE2  GLN  27          1HE2      GLN  27 -15.972  13.040  -1.763
  206    H    GLN  28           H        GLN  28 -11.113  11.330  -2.072
  207    HA   GLN  28           HA       GLN  28 -10.348   9.326  -2.972
  208   1HB   GLN  28          2HB       GLN  28 -10.924  10.403  -5.787
  209   2HB   GLN  28          1HB       GLN  28 -10.741   8.739  -5.312
  210   1HG   GLN  28          2HG       GLN  28 -13.120  10.548  -4.707
  211   2HG   GLN  28          1HG       GLN  28 -13.111   9.107  -5.695
  212   1HE2  GLN  28          2HE2      GLN  28 -14.405   8.450  -2.169
  213   2HE2  GLN  28          1HE2      GLN  28 -14.743   9.708  -3.251
  214    H    GLY  29           H        GLY  29  -8.523   8.567  -4.380
  215   1HA   GLY  29          2HA       GLY  29  -6.595  10.748  -4.955
  216   2HA   GLY  29          1HA       GLY  29  -6.093   9.452  -3.909
  217    H    SER  30           H        SER  30  -4.445   8.750  -5.163
  218    HA   SER  30           HA       SER  30  -4.642   6.661  -6.923
  219   1HB   SER  30          2HB       SER  30  -5.736   7.957  -8.672
  220   2HB   SER  30          1HB       SER  30  -4.524   9.253  -8.573
  221    HG   SER  30           HG       SER  30  -4.466   7.034  -9.991
  222    H    CYS  31           H        CYS  31  -2.905   5.871  -6.289
  223    HA   CYS  31           HA       CYS  31  -0.470   7.093  -5.564
  224   1HB   CYS  31          2HB       CYS  31  -1.524   4.691  -5.130
  225   2HB   CYS  31          1HB       CYS  31  -0.885   4.313  -6.682
  226    H    GLN  32           H        GLN  32   0.315   8.581  -7.215
  227    HA   GLN  32           HA       GLN  32   1.044   7.199  -9.770
  228   1HB   GLN  32          2HB       GLN  32   0.375  10.117  -9.537
  229   2HB   GLN  32          1HB       GLN  32   0.689   9.246 -10.997
  230   1HG   GLN  32          2HG       GLN  32  -1.601   8.129  -9.459
  231   2HG   GLN  32          1HG       GLN  32  -1.886   9.692 -10.161
  232   1HE2  GLN  32          2HE2      GLN  32  -2.459   8.335 -13.297
  233   2HE2  GLN  32          1HE2      GLN  32  -2.753   9.544 -12.136
  234    H    THR  33           H        THR  33   3.002   7.937 -10.613
  235    HA   THR  33           HA       THR  33   4.625   8.667  -8.396
  236    HB   THR  33           HB       THR  33   6.199   8.668 -10.875
  237    HG1  THR  33           HG1      THR  33   5.022   7.604 -12.151
  238   1HG2  THR  33          2HG2      THR  33   5.522   6.578  -8.832
  239   2HG2  THR  33          1HG2      THR  33   6.871   6.509  -9.997
  240   3HG2  THR  33          3HG2      THR  33   6.788   7.804  -8.825
  241    H    THR  34           H        THR  34   3.292  10.777  -8.407
  242    HA   THR  34           HA       THR  34   5.286  12.621  -9.195
  243    HB   THR  34           HB       THR  34   3.759  12.493 -11.316
  244    HG1  THR  34           HG1      THR  34   3.903  14.627 -11.457
  245   1HG2  THR  34          1HG2      THR  34   1.722  11.826  -9.949
  246   2HG2  THR  34          3HG2      THR  34   1.651  13.483  -9.363
  247   3HG2  THR  34          2HG2      THR  34   1.388  13.139 -11.065
  248    H    ILE  35           H        ILE  35   4.955  14.752  -8.815
  249    HA   ILE  35           HA       ILE  35   4.751  16.547  -7.406
  250    HB   ILE  35           HB       ILE  35   2.190  15.530  -7.258
  251   1HG1  ILE  35          2HG1      ILE  35   3.434  17.609  -5.362
  252   2HG1  ILE  35          1HG1      ILE  35   2.899  17.919  -6.998
  253   1HG2  ILE  35          3HG2      ILE  35   2.775  13.948  -5.292
  254   2HG2  ILE  35          2HG2      ILE  35   3.177  15.390  -4.388
  255   3HG2  ILE  35          1HG2      ILE  35   1.532  15.095  -4.943
  256   1HD1  ILE  35          2HD1      ILE  35   0.555  17.384  -6.373
  257   2HD1  ILE  35          1HD1      ILE  35   1.056  17.109  -4.711
  258   3HD1  ILE  35          3HD1      ILE  35   1.211  18.699  -5.414
  259    H    THR  36           H        THR  36   4.429  13.427  -5.813
  260    HA   THR  36           HA       THR  36   6.965  13.968  -4.295
  261    HB   THR  36           HB       THR  36   4.758  12.375  -2.827
  262    HG1  THR  36           HG1      THR  36   3.675  14.305  -3.031
  263   1HG2  THR  36          1HG2      THR  36   6.928  14.300  -1.915
  264   2HG2  THR  36          3HG2      THR  36   5.947  13.290  -0.866
  265   3HG2  THR  36          2HG2      THR  36   7.113  12.555  -1.952
  266    H    GLY  37           H        GLY  37   6.246  12.538  -6.731
  267   1HA   GLY  37          2HA       GLY  37   6.654   9.709  -5.864
  268   2HA   GLY  37          1HA       GLY  37   5.997  10.194  -7.428
  269    H    LEU  38           H        LEU  38   8.636  11.703  -5.977
  270    HA   LEU  38           HA       LEU  38  10.539  10.259  -7.782
  271   1HB   LEU  38          2HB       LEU  38   9.729  12.122  -9.030
  272   2HB   LEU  38          1HB       LEU  38   9.952  13.221  -7.713
  273    HG   LEU  38           HG       LEU  38  12.263  11.714  -9.152
  274   1HD1  LEU  38          1HD1      LEU  38  11.185  14.507  -9.780
  275   2HD1  LEU  38          3HD1      LEU  38  12.597  13.767 -10.518
  276   3HD1  LEU  38          2HD1      LEU  38  11.009  13.091 -10.803
  277   1HD2  LEU  38          1HD2      LEU  38  12.376  14.356  -7.595
  278   2HD2  LEU  38          3HD2      LEU  38  12.984  12.829  -6.981
  279   3HD2  LEU  38          2HD2      LEU  38  13.725  13.559  -8.374
  280    H    PHE  39           H        PHE  39  10.435  12.852  -5.383
  281    HA   PHE  39           HA       PHE  39  13.059  11.927  -4.341
  282   1HB   PHE  39          2HB       PHE  39  13.003  14.165  -3.113
  283   2HB   PHE  39          1HB       PHE  39  12.999  14.318  -4.857
  284    HD1  PHE  39           HD1      PHE  39  10.736  14.677  -6.035
  285    HD2  PHE  39           HD2      PHE  39  11.205  15.061  -1.816
  286    HE1  PHE  39           HE1      PHE  39   8.630  15.919  -5.910
  287    HE2  PHE  39           HE2      PHE  39   9.100  16.318  -1.706
  288    HZ   PHE  39           HZ       PHE  39   7.809  16.744  -3.761
  289    H    LYS  40           H        LYS  40  11.279  10.133  -3.744
  290    HA   LYS  40           HA       LYS  40  10.344  10.751  -0.970
  291   1HB   LYS  40          2HB       LYS  40   8.512   9.808  -2.373
  292   2HB   LYS  40          1HB       LYS  40   9.554   8.490  -2.874
  293   1HG   LYS  40          2HG       LYS  40   8.032   7.697  -1.087
  294   2HG   LYS  40          1HG       LYS  40   9.699   7.624  -0.596
  295   1HD   LYS  40          2HD       LYS  40   9.187   9.998   0.542
  296   2HD   LYS  40          1HD       LYS  40   7.507   9.523   0.327
  297   1HE   LYS  40          2HE       LYS  40   8.069   7.353   1.598
  298   2HE   LYS  40          1HE       LYS  40   9.679   7.996   1.872
  299   1HZ   LYS  40          1HZ       LYS  40   7.816   9.942   2.699
  300   2HZ   LYS  40          3HZ       LYS  40   7.357   8.433   3.335
  301   3HZ   LYS  40          2HZ       LYS  40   8.906   9.055   3.656
  302    H    LYS  41           H        LYS  41  12.110  10.425   0.210
  303    HA   LYS  41           HA       LYS  41  14.003   8.260  -0.345
  304   1HB   LYS  41          2HB       LYS  41  14.674  10.455   0.771
  305   2HB   LYS  41          1HB       LYS  41  13.760   9.954   2.197
  306   1HG   LYS  41          2HG       LYS  41  15.126   7.801   2.259
  307   2HG   LYS  41          1HG       LYS  41  16.117   8.418   0.963
  308   1HD   LYS  41          2HD       LYS  41  15.769   9.700   3.699
  309   2HD   LYS  41          1HD       LYS  41  17.120   8.684   3.222
  310   1HE   LYS  41          2HE       LYS  41  17.680  10.331   1.390
  311   2HE   LYS  41          1HE       LYS  41  16.386  11.372   1.962
  312   1HZ   LYS  41          2HZ       LYS  41  17.980  10.679   4.173
  313   2HZ   LYS  41          1HZ       LYS  41  19.007  11.197   2.935
  314   3HZ   LYS  41          3HZ       LYS  41  17.758  12.207   3.469
  315    H    CYS  42           H        CYS  42  12.642   6.591  -0.386
  316    HA   CYS  42           HA       CYS  42  11.658   5.461   2.190
  317   1HB   CYS  42          2HB       CYS  42   9.827   6.146   0.702
  318   2HB   CYS  42          1HB       CYS  42  10.584   5.342  -0.642
   
  No H/Q in entry =         318
  Start of MODEL   13
    1   1H    CYS   1          3H        CYS   1   1.145  -1.508   0.024
    2   2H    CYS   1          2H        CYS   1   2.664  -2.168   0.367
    3   3H    CYS   1          1H        CYS   1   2.432  -0.494   0.285
    4    HA   CYS   1           HA       CYS   1   2.983  -0.546  -1.869
    5   1HB   CYS   1          2HB       CYS   1   4.312  -2.410  -1.621
    6   2HB   CYS   1          1HB       CYS   1   2.926  -3.489  -1.484
    7    H    ALA   2           H        ALA   2   1.646   0.076  -3.457
    8    HA   ALA   2           HA       ALA   2  -0.771  -1.492  -4.192
    9   1HB   ALA   2          3HB       ALA   2  -1.493   0.500  -2.762
   10   2HB   ALA   2          2HB       ALA   2  -0.666   1.569  -3.874
   11   3HB   ALA   2          1HB       ALA   2  -2.056   0.661  -4.414
   12    H    LYS   3           H        LYS   3  -1.516  -0.217  -6.480
   13    HA   LYS   3           HA       LYS   3   0.996   0.399  -7.962
   14   1HB   LYS   3          2HB       LYS   3   0.201  -0.993  -9.866
   15   2HB   LYS   3          1HB       LYS   3   0.457  -1.953  -8.420
   16   1HG   LYS   3          2HG       LYS   3  -2.059  -1.838  -7.967
   17   2HG   LYS   3          1HG       LYS   3  -2.256  -0.885  -9.420
   18   1HD   LYS   3          2HD       LYS   3  -2.868  -3.218  -9.809
   19   2HD   LYS   3          1HD       LYS   3  -1.496  -2.768 -10.813
   20   1HE   LYS   3          2HE       LYS   3   0.039  -3.867  -9.129
   21   2HE   LYS   3          1HE       LYS   3  -1.360  -4.275  -8.150
   22   1HZ   LYS   3          3HZ       LYS   3  -1.839  -5.176 -10.766
   23   2HZ   LYS   3          2HZ       LYS   3  -0.279  -5.683 -10.336
   24   3HZ   LYS   3          1HZ       LYS   3  -1.597  -6.115  -9.373
   25    H    LYS   4           H        LYS   4   0.593   1.590  -9.936
   26    HA   LYS   4           HA       LYS   4  -1.382   3.612  -9.464
   27   1HB   LYS   4          2HB       LYS   4  -0.901   4.474 -11.647
   28   2HB   LYS   4          1HB       LYS   4   0.606   4.160 -10.804
   29   1HG   LYS   4          2HG       LYS   4   0.906   2.040 -12.102
   30   2HG   LYS   4          1HG       LYS   4  -0.586   2.316 -12.955
   31   1HD   LYS   4          2HD       LYS   4   1.752   4.261 -13.114
   32   2HD   LYS   4          1HD       LYS   4   1.550   2.914 -14.203
   33   1HE   LYS   4          2HE       LYS   4   0.688   4.887 -15.279
   34   2HE   LYS   4          1HE       LYS   4  -0.672   3.835 -14.944
   35   1HZ   LYS   4          1HZ       LYS   4  -0.200   5.656 -12.753
   36   2HZ   LYS   4          3HZ       LYS   4  -0.319   6.511 -14.113
   37   3HZ   LYS   4          2HZ       LYS   4  -1.603   5.474 -13.711
   38    H    ARG   5           H        ARG   5  -3.503   3.570 -10.262
   39    HA   ARG   5           HA       ARG   5  -5.082   2.909 -12.159
   40   1HB   ARG   5          2HB       ARG   5  -4.062   0.720 -12.781
   41   2HB   ARG   5          1HB       ARG   5  -4.219   0.140 -11.133
   42   1HG   ARG   5          2HG       ARG   5  -6.595  -0.052 -11.270
   43   2HG   ARG   5          1HG       ARG   5  -6.711   0.996 -12.663
   44   1HD   ARG   5          2HD       ARG   5  -5.192  -1.641 -12.851
   45   2HD   ARG   5          1HD       ARG   5  -6.942  -1.618 -12.988
   46    HE   ARG   5           HE       ARG   5  -5.193   0.061 -14.784
   47   1HH1  ARG   5          1HH2      ARG   5  -8.160   0.195 -14.631
   48   2HH1  ARG   5          2HH2      ARG   5  -8.729  -0.770 -15.939
   49   1HH2  ARG   5          2HH1      ARG   5  -5.426  -2.196 -16.215
   50   2HH2  ARG   5          1HH1      ARG   5  -6.980  -2.285 -16.946
   51    H    ASN   6           H        ASN   6  -4.361   1.678  -8.962
   52    HA   ASN   6           HA       ASN   6  -7.195   2.323  -8.042
   53   1HB   ASN   6          2HB       ASN   6  -6.174  -0.191  -7.732
   54   2HB   ASN   6          1HB       ASN   6  -5.226   0.590  -6.472
   55   1HD2  ASN   6          2HD2      ASN   6  -8.074   1.102  -4.395
   56   2HD2  ASN   6          1HD2      ASN   6  -6.452   1.525  -4.584
   57    H    TRP   7           H        TRP   7  -7.195   3.171  -5.917
   58    HA   TRP   7           HA       TRP   7  -4.716   4.772  -5.576
   59   1HB   TRP   7          2HB       TRP   7  -6.055   6.598  -5.009
   60   2HB   TRP   7          1HB       TRP   7  -6.608   6.011  -6.571
   61    HD1  TRP   7           HD1      TRP   7  -7.749   5.068  -3.103
   62    HE1  TRP   7           HE1      TRP   7 -10.212   5.660  -2.848
   63    HE3  TRP   7           HE3      TRP   7  -8.383   6.837  -7.632
   64    HZ2  TRP   7           HZ2      TRP   7 -12.201   6.689  -4.498
   65    HZ3  TRP   7           HZ3      TRP   7 -10.630   7.639  -8.374
   66    HH2  TRP   7           HH2      TRP   7 -12.528   7.566  -6.802
   67    H    CYS   8           H        CYS   8  -4.640   5.962  -3.711
   68    HA   CYS   8           HA       CYS   8  -4.911   4.284  -1.276
   69   1HB   CYS   8          2HB       CYS   8  -3.046   6.123  -0.676
   70   2HB   CYS   8          1HB       CYS   8  -2.643   4.706  -1.597
   71    H    GLY   9           H        GLY   9  -6.037   7.037  -2.890
   72   1HA   GLY   9          2HA       GLY   9  -7.876   8.429  -2.206
   73   2HA   GLY   9          1HA       GLY   9  -7.698   7.820  -0.562
   74    H    LYS  10           H        LYS  10  -5.227   8.162  -0.013
   75    HA   LYS  10           HA       LYS  10  -4.123  10.829  -0.455
   76   1HB   LYS  10          2HB       LYS  10  -4.122  11.196   2.083
   77   2HB   LYS  10          1HB       LYS  10  -5.776  11.040   1.506
   78   1HG   LYS  10          2HG       LYS  10  -5.554   8.451   1.993
   79   2HG   LYS  10          1HG       LYS  10  -4.028   8.807   2.726
   80   1HD   LYS  10          2HD       LYS  10  -5.617   8.508   4.394
   81   2HD   LYS  10          1HD       LYS  10  -5.041  10.166   4.398
   82   1HE   LYS  10          2HE       LYS  10  -7.162  10.898   3.201
   83   2HE   LYS  10          1HE       LYS  10  -7.652   9.223   3.022
   84   1HZ   LYS  10          2HZ       LYS  10  -7.215   9.687   5.741
   85   2HZ   LYS  10          1HZ       LYS  10  -8.172  10.978   5.167
   86   3HZ   LYS  10          3HZ       LYS  10  -8.691   9.377   4.951
   87    H    ASN  11           H        ASN  11  -2.006  10.825   0.356
   88    HA   ASN  11           HA       ASN  11  -0.301   8.993  -0.512
   89   1HB   ASN  11          2HB       ASN  11   0.045  11.077   1.240
   90   2HB   ASN  11          1HB       ASN  11   0.519   9.715   2.254
   91   1HD2  ASN  11          2HD2      ASN  11   3.146   8.775  -0.185
   92   2HD2  ASN  11          1HD2      ASN  11   1.883   7.984   0.635
   93    H    GLU  12           H        GLU  12  -2.173   8.181   2.288
   94    HA   GLU  12           HA       GLU  12  -1.550   6.428   3.924
   95   1HB   GLU  12          2HB       GLU  12  -3.735   6.476   2.479
   96   2HB   GLU  12          1HB       GLU  12  -3.045   5.190   1.548
   97   1HG   GLU  12          2HG       GLU  12  -3.026   3.695   3.495
   98   2HG   GLU  12          1HG       GLU  12  -3.478   5.016   4.562
   99    H    ASP  13           H        ASP  13  -1.689   3.933   1.632
  100    HA   ASP  13           HA       ASP  13   1.265   3.453   1.821
  101   1HB   ASP  13          2HB       ASP  13   0.321   1.745   3.291
  102   2HB   ASP  13          1HB       ASP  13  -1.035   1.452   2.213
  103    H    CYS  14           H        CYS  14   2.201   2.616   0.063
  104    HA   CYS  14           HA       CYS  14   0.881   1.738  -2.396
  105   1HB   CYS  14          2HB       CYS  14   1.712   4.561  -2.062
  106   2HB   CYS  14          1HB       CYS  14   2.350   3.726  -3.473
  107    H    CYS  15           H        CYS  15   2.649   1.568  -4.047
  108    HA   CYS  15           HA       CYS  15   4.940   0.261  -2.668
  109   1HB   CYS  15          2HB       CYS  15   3.214  -0.508  -4.639
  110   2HB   CYS  15          1HB       CYS  15   4.501   0.075  -5.587
  111    H    CYS  16           H        CYS  16   5.962   2.115  -2.129
  112    HA   CYS  16           HA       CYS  16   6.483   4.414  -3.386
  113   1HB   CYS  16          2HB       CYS  16   8.431   2.675  -1.895
  114   2HB   CYS  16          1HB       CYS  16   8.730   4.343  -2.285
  115    HA   PRO  17           HA       PRO  17   7.834   5.916  -3.797
  116   1HB   PRO  17          2HB       PRO  17   8.357   7.651  -5.697
  117   2HB   PRO  17          1HB       PRO  17   9.689   6.646  -5.090
  118   1HG   PRO  17          2HG       PRO  17   7.892   6.098  -7.515
  119   2HG   PRO  17          1HG       PRO  17   9.654   6.189  -7.541
  120   1HD   PRO  17          2HD       PRO  17   8.276   3.805  -7.247
  121   2HD   PRO  17          1HD       PRO  17   9.843   4.028  -6.442
  122    H    MET  18           H        MET  18   6.057   7.121  -3.798
  123    HA   MET  18           HA       MET  18   3.926   7.194  -5.764
  124   1HB   MET  18          2HB       MET  18   3.809   4.932  -4.376
  125   2HB   MET  18          1HB       MET  18   3.000   5.984  -3.217
  126   1HG   MET  18          2HG       MET  18   1.416   5.066  -4.888
  127   2HG   MET  18          1HG       MET  18   1.431   6.770  -4.989
  128   1HE   MET  18          1HE       MET  18   2.831   3.665  -5.764
  129   2HE   MET  18          3HE       MET  18   2.335   3.391  -7.414
  130   3HE   MET  18          2HE       MET  18   3.999   3.934  -7.030
  131    H    LYS  19           H        LYS  19   2.180   8.341  -5.176
  132    HA   LYS  19           HA       LYS  19   2.156   9.914  -2.752
  133   1HB   LYS  19          2HB       LYS  19   3.673  11.198  -4.379
  134   2HB   LYS  19          1HB       LYS  19   2.426  11.089  -5.592
  135   1HG   LYS  19          2HG       LYS  19   2.402  13.328  -4.495
  136   2HG   LYS  19          1HG       LYS  19   0.910  12.476  -4.167
  137   1HD   LYS  19          2HD       LYS  19   1.658  11.780  -2.011
  138   2HD   LYS  19          1HD       LYS  19   3.307  12.305  -2.306
  139   1HE   LYS  19          2HE       LYS  19   2.689  14.620  -2.110
  140   2HE   LYS  19          1HE       LYS  19   0.976  14.253  -2.270
  141   1HZ   LYS  19          3HZ       LYS  19   2.018  12.699  -0.195
  142   2HZ   LYS  19          2HZ       LYS  19   2.555  14.277   0.085
  143   3HZ   LYS  19          1HZ       LYS  19   0.889  13.973  -0.088
  144    H    CYS  20           H        CYS  20  -0.338  10.716  -2.652
  145    HA   CYS  20           HA       CYS  20  -1.801   9.010  -4.583
  146   1HB   CYS  20          2HB       CYS  20  -2.039   9.327  -1.873
  147   2HB   CYS  20          1HB       CYS  20  -3.211  10.520  -2.447
  148    H    ILE  21           H        ILE  21  -2.570  10.120  -6.197
  149    HA   ILE  21           HA       ILE  21  -2.240  13.060  -6.316
  150    HB   ILE  21           HB       ILE  21  -2.648  10.987  -8.490
  151   1HG1  ILE  21          2HG1      ILE  21  -0.614  10.328  -7.253
  152   2HG1  ILE  21          1HG1      ILE  21  -0.080  11.155  -8.709
  153   1HG2  ILE  21          1HG2      ILE  21  -1.515  13.795  -8.676
  154   2HG2  ILE  21          3HG2      ILE  21  -1.548  12.610  -9.968
  155   3HG2  ILE  21          2HG2      ILE  21  -3.048  13.233  -9.326
  156   1HD1  ILE  21          1HD1      ILE  21   0.089  13.109  -7.587
  157   2HD1  ILE  21          3HD1      ILE  21  -0.242  12.448  -6.001
  158   3HD1  ILE  21          2HD1      ILE  21   1.203  11.960  -6.887
  159    H    TYR  22           H        TYR  22  -3.768  14.312  -7.524
  160    HA   TYR  22           HA       TYR  22  -6.569  13.350  -7.297
  161   1HB   TYR  22          2HB       TYR  22  -5.473  16.085  -6.494
  162   2HB   TYR  22          1HB       TYR  22  -7.124  15.518  -6.222
  163    HD1  TYR  22           HD1      TYR  22  -7.512  13.691  -4.482
  164    HD2  TYR  22           HD2      TYR  22  -3.660  15.308  -5.192
  165    HE1  TYR  22           HE1      TYR  22  -6.688  12.600  -2.454
  166    HE2  TYR  22           HE2      TYR  22  -2.821  14.238  -3.189
  167    HH   TYR  22           HH       TYR  22  -3.852  13.552  -1.016
  168    H    ALA  23           H        ALA  23  -8.005  14.529  -8.648
  169    HA   ALA  23           HA       ALA  23  -6.888  16.023 -10.947
  170   1HB   ALA  23          2HB       ALA  23  -7.235  13.571 -11.646
  171   2HB   ALA  23          1HB       ALA  23  -8.907  13.701 -11.120
  172   3HB   ALA  23          3HB       ALA  23  -8.344  14.648 -12.479
  173    H    TRP  24           H        TRP  24  -9.041  16.901 -12.142
  174    HA   TRP  24           HA       TRP  24 -10.401  18.504 -10.210
  175   1HB   TRP  24          2HB       TRP  24 -10.747  19.509 -12.350
  176   2HB   TRP  24          1HB       TRP  24 -10.771  17.956 -13.182
  177    HD1  TRP  24           HD1      TRP  24 -13.130  17.592 -14.226
  178    HE1  TRP  24           HE1      TRP  24 -15.505  17.896 -13.517
  179    HE3  TRP  24           HE3      TRP  24 -12.304  19.811  -9.742
  180    HZ2  TRP  24           HZ2      TRP  24 -16.868  18.891 -11.384
  181    HZ3  TRP  24           HZ3      TRP  24 -14.256  20.423  -8.360
  182    HH2  TRP  24           HH2      TRP  24 -16.543  19.968  -9.184
  183    H    TYR  25           H        TYR  25 -11.805  17.766  -8.736
  184    HA   TYR  25           HA       TYR  25 -14.125  16.306  -9.157
  185   1HB   TYR  25          2HB       TYR  25 -11.808  14.527  -9.192
  186   2HB   TYR  25          1HB       TYR  25 -12.662  14.213  -7.694
  187    HD1  TYR  25           HD1      TYR  25 -15.326  14.143  -7.941
  188    HD2  TYR  25           HD2      TYR  25 -12.574  13.432 -11.114
  189    HE1  TYR  25           HE1      TYR  25 -17.041  12.904  -9.165
  190    HE2  TYR  25           HE2      TYR  25 -14.283  12.193 -12.331
  191    HH   TYR  25           HH       TYR  25 -16.577  11.740 -12.422
  192    H    ASN  26           H        ASN  26 -11.460  16.347  -6.878
  193    HA   ASN  26           HA       ASN  26 -12.165  17.991  -4.872
  194   1HB   ASN  26          2HB       ASN  26 -14.407  17.104  -4.438
  195   2HB   ASN  26          1HB       ASN  26 -13.871  15.448  -4.570
  196   1HD2  ASN  26          2HD2      ASN  26 -13.304  17.315  -0.986
  197   2HD2  ASN  26          1HD2      ASN  26 -13.614  18.321  -2.327
  198    H    GLN  27           H        GLN  27 -12.032  14.711  -3.577
  199    HA   GLN  27           HA       GLN  27  -9.079  14.918  -3.402
  200   1HB   GLN  27          2HB       GLN  27 -11.067  14.531  -1.139
  201   2HB   GLN  27          1HB       GLN  27  -9.372  14.132  -0.968
  202   1HG   GLN  27          2HG       GLN  27  -8.699  16.454  -1.425
  203   2HG   GLN  27          1HG       GLN  27 -10.347  16.890  -1.851
  204   1HE2  GLN  27          2HE2      GLN  27  -9.330  16.831   2.031
  205   2HE2  GLN  27          1HE2      GLN  27  -8.157  16.486   0.846
  206    H    GLN  28           H        GLN  28  -9.898  13.242  -5.258
  207    HA   GLN  28           HA       GLN  28 -10.097  10.527  -4.023
  208   1HB   GLN  28          2HB       GLN  28  -9.900  11.362  -6.985
  209   2HB   GLN  28          1HB       GLN  28 -10.113   9.725  -6.435
  210   1HG   GLN  28          2HG       GLN  28 -12.342  10.198  -5.592
  211   2HG   GLN  28          1HG       GLN  28 -12.173  11.907  -5.999
  212   1HE2  GLN  28          2HE2      GLN  28 -13.517  11.132  -9.180
  213   2HE2  GLN  28          1HE2      GLN  28 -13.648  12.082  -7.784
  214    H    GLY  29           H        GLY  29  -8.222   9.241  -3.960
  215   1HA   GLY  29          2HA       GLY  29  -5.767  10.767  -4.750
  216   2HA   GLY  29          1HA       GLY  29  -5.817   9.454  -3.613
  217    H    SER  30           H        SER  30  -3.936   8.849  -5.262
  218    HA   SER  30           HA       SER  30  -4.824   6.546  -6.713
  219   1HB   SER  30          2HB       SER  30  -4.640   7.233  -9.032
  220   2HB   SER  30          1HB       SER  30  -5.527   8.577  -8.321
  221    HG   SER  30           HG       SER  30  -2.810   8.850  -8.057
  222    H    CYS  31           H        CYS  31  -3.136   5.174  -6.861
  223    HA   CYS  31           HA       CYS  31  -0.649   5.969  -5.672
  224   1HB   CYS  31          2HB       CYS  31  -1.954   3.624  -5.963
  225   2HB   CYS  31          1HB       CYS  31  -0.993   3.520  -7.399
  226    H    GLN  32           H        GLN  32  -0.105   7.828  -6.969
  227    HA   GLN  32           HA       GLN  32   1.272   7.233  -9.536
  228   1HB   GLN  32          2HB       GLN  32  -0.960   7.981 -10.003
  229   2HB   GLN  32          1HB       GLN  32  -0.824   9.381  -9.046
  230   1HG   GLN  32          2HG       GLN  32   0.019  10.473 -10.923
  231   2HG   GLN  32          1HG       GLN  32   1.376   9.370 -10.990
  232   1HE2  GLN  32          2HE2      GLN  32  -1.516   9.121 -13.763
  233   2HE2  GLN  32          1HE2      GLN  32  -1.381  10.383 -12.642
  234    H    THR  33           H        THR  33   3.268   7.447  -8.993
  235    HA   THR  33           HA       THR  33   4.106   9.015  -6.764
  236    HB   THR  33           HB       THR  33   4.960   6.875  -7.316
  237    HG1  THR  33           HG1      THR  33   7.079   8.778  -7.484
  238   1HG2  THR  33          3HG2      THR  33   5.202   6.984  -9.713
  239   2HG2  THR  33          2HG2      THR  33   6.527   8.141  -9.522
  240   3HG2  THR  33          1HG2      THR  33   6.663   6.507  -8.894
  241    H    THR  34           H        THR  34   3.169  11.020  -8.170
  242    HA   THR  34           HA       THR  34   5.568  12.500  -9.128
  243    HB   THR  34           HB       THR  34   4.300  11.670 -11.192
  244    HG1  THR  34           HG1      THR  34   3.630  13.936 -11.827
  245   1HG2  THR  34          3HG2      THR  34   2.019  13.254  -9.857
  246   2HG2  THR  34          2HG2      THR  34   1.919  12.423 -11.408
  247   3HG2  THR  34          1HG2      THR  34   2.110  11.511  -9.921
  248    H    ILE  35           H        ILE  35   5.030  14.674  -9.600
  249    HA   ILE  35           HA       ILE  35   4.546  16.843  -8.933
  250    HB   ILE  35           HB       ILE  35   2.123  15.663  -8.310
  251   1HG1  ILE  35          2HG1      ILE  35   3.010  18.378  -7.174
  252   2HG1  ILE  35          1HG1      ILE  35   2.639  18.102  -8.859
  253   1HG2  ILE  35          2HG2      ILE  35   2.810  14.869  -5.964
  254   2HG2  ILE  35          1HG2      ILE  35   3.112  16.517  -5.548
  255   3HG2  ILE  35          3HG2      ILE  35   1.499  15.973  -5.945
  256   1HD1  ILE  35          2HD1      ILE  35   0.306  17.443  -8.243
  257   2HD1  ILE  35          1HD1      ILE  35   0.666  17.782  -6.554
  258   3HD1  ILE  35          3HD1      ILE  35   0.698  19.074  -7.732
  259    H    THR  36           H        THR  36   4.550  14.489  -6.383
  260    HA   THR  36           HA       THR  36   7.089  15.564  -5.274
  261    HB   THR  36           HB       THR  36   6.069  15.337  -2.894
  262    HG1  THR  36           HG1      THR  36   4.095  14.423  -4.433
  263   1HG2  THR  36          2HG2      THR  36   4.656  17.387  -4.714
  264   2HG2  THR  36          1HG2      THR  36   4.775  17.462  -2.966
  265   3HG2  THR  36          3HG2      THR  36   6.203  17.627  -3.968
  266    H    GLY  37           H        GLY  37   6.157  13.151  -6.831
  267   1HA   GLY  37          2HA       GLY  37   6.693  10.996  -4.848
  268   2HA   GLY  37          1HA       GLY  37   6.036  10.790  -6.467
  269    H    LEU  38           H        LEU  38   8.707  12.703  -5.550
  270    HA   LEU  38           HA       LEU  38  10.584  10.843  -6.966
  271   1HB   LEU  38          2HB       LEU  38   9.899  12.501  -8.496
  272   2HB   LEU  38          1HB       LEU  38  10.087  13.779  -7.351
  273    HG   LEU  38           HG       LEU  38  11.835  13.629  -9.270
  274   1HD1  LEU  38          3HD1      LEU  38  12.587  14.800  -7.221
  275   2HD1  LEU  38          2HD1      LEU  38  13.198  13.296  -6.544
  276   3HD1  LEU  38          1HD1      LEU  38  13.903  13.948  -7.995
  277   1HD2  LEU  38          2HD2      LEU  38  11.935  11.166  -9.420
  278   2HD2  LEU  38          1HD2      LEU  38  13.538  11.836  -9.197
  279   3HD2  LEU  38          3HD2      LEU  38  12.715  11.081  -7.849
  280    H    PHE  39           H        PHE  39  10.850  13.877  -5.053
  281    HA   PHE  39           HA       PHE  39  13.374  12.848  -3.881
  282   1HB   PHE  39          2HB       PHE  39  13.437  15.196  -2.845
  283   2HB   PHE  39          1HB       PHE  39  13.398  15.219  -4.602
  284    HD1  PHE  39           HD1      PHE  39  11.251  15.788  -5.792
  285    HD2  PHE  39           HD2      PHE  39  11.535  15.977  -1.545
  286    HE1  PHE  39           HE1      PHE  39   9.161  17.064  -5.708
  287    HE2  PHE  39           HE2      PHE  39   9.449  17.255  -1.467
  288    HZ   PHE  39           HZ       PHE  39   8.261  17.805  -3.544
  289    H    LYS  40           H        LYS  40  11.233  11.360  -3.263
  290    HA   LYS  40           HA       LYS  40  10.860  11.848  -0.350
  291   1HB   LYS  40          2HB       LYS  40   8.706  12.369  -1.597
  292   2HB   LYS  40          1HB       LYS  40   8.797  10.798  -2.356
  293   1HG   LYS  40          2HG       LYS  40   7.222  10.577  -0.585
  294   2HG   LYS  40          1HG       LYS  40   8.642   9.687  -0.113
  295   1HD   LYS  40          2HD       LYS  40   9.405  11.705   1.263
  296   2HD   LYS  40          1HD       LYS  40   7.919  12.532   0.816
  297   1HE   LYS  40          2HE       LYS  40   6.641  10.584   1.899
  298   2HE   LYS  40          1HE       LYS  40   8.189   9.963   2.453
  299   1HZ   LYS  40          1HZ       LYS  40   8.043  12.677   3.195
  300   2HZ   LYS  40          3HZ       LYS  40   6.584  11.944   3.645
  301   3HZ   LYS  40          2HZ       LYS  40   8.046  11.319   4.219
  302    H    LYS  41           H        LYS  41  12.593  10.343   0.077
  303    HA   LYS  41           HA       LYS  41  12.617   7.776  -1.279
  304   1HB   LYS  41          2HB       LYS  41  14.343   7.152   0.384
  305   2HB   LYS  41          1HB       LYS  41  14.675   8.755  -0.213
  306   1HG   LYS  41          2HG       LYS  41  15.043   8.902   2.132
  307   2HG   LYS  41          1HG       LYS  41  13.480   9.656   1.914
  308   1HD   LYS  41          2HD       LYS  41  12.273   7.705   2.717
  309   2HD   LYS  41          1HD       LYS  41  13.665   6.670   2.601
  310   1HE   LYS  41          2HE       LYS  41  13.065   8.917   4.569
  311   2HE   LYS  41          1HE       LYS  41  13.118   7.184   4.877
  312   1HZ   LYS  41          3HZ       LYS  41  15.556   7.863   3.719
  313   2HZ   LYS  41          2HZ       LYS  41  15.274   9.012   4.944
  314   3HZ   LYS  41          1HZ       LYS  41  15.257   7.354   5.294
  315    H    CYS  42           H        CYS  42  12.414   5.706   0.171
  316    HA   CYS  42           HA       CYS  42   9.996   5.925   1.911
  317   1HB   CYS  42          2HB       CYS  42   9.733   4.918  -0.477
  318   2HB   CYS  42          1HB       CYS  42  10.733   3.593   0.038
   
  No H/Q in entry =         318
  Start of MODEL   14
    1   1H    CYS   1          2H        CYS   1  -0.397   0.479  -0.060
    2   2H    CYS   1          1H        CYS   1   0.716  -0.159   1.014
    3   3H    CYS   1          3H        CYS   1   0.907   1.405   0.430
    4    HA   CYS   1           HA       CYS   1   2.080   0.730  -1.329
    5   1HB   CYS   1          2HB       CYS   1   3.046  -0.937  -0.133
    6   2HB   CYS   1          1HB       CYS   1   1.580  -1.922  -0.095
    7    H    ALA   2           H        ALA   2   0.583   1.431  -2.906
    8    HA   ALA   2           HA       ALA   2  -1.318  -0.583  -4.043
    9   1HB   ALA   2          2HB       ALA   2  -1.302   2.480  -4.325
   10   2HB   ALA   2          1HB       ALA   2  -2.516   1.411  -5.008
   11   3HB   ALA   2          3HB       ALA   2  -2.390   1.589  -3.265
   12    H    LYS   3           H        LYS   3  -1.294  -0.471  -6.520
   13    HA   LYS   3           HA       LYS   3   1.445   0.359  -7.486
   14   1HB   LYS   3          2HB       LYS   3  -0.175  -2.110  -8.243
   15   2HB   LYS   3          1HB       LYS   3   1.130  -1.509  -9.232
   16   1HG   LYS   3          2HG       LYS   3   2.633  -1.696  -7.102
   17   2HG   LYS   3          1HG       LYS   3   1.324  -2.643  -6.412
   18   1HD   LYS   3          2HD       LYS   3   1.425  -4.251  -8.299
   19   2HD   LYS   3          1HD       LYS   3   2.631  -3.262  -9.107
   20   1HE   LYS   3          2HE       LYS   3   4.217  -3.678  -7.174
   21   2HE   LYS   3          1HE       LYS   3   3.017  -4.729  -6.442
   22   1HZ   LYS   3          3HZ       LYS   3   3.392  -5.543  -9.116
   23   2HZ   LYS   3          2HZ       LYS   3   4.917  -5.371  -8.408
   24   3HZ   LYS   3          1HZ       LYS   3   3.767  -6.399  -7.706
   25    H    LYS   4           H        LYS   4  -0.360   2.170  -7.536
   26    HA   LYS   4           HA       LYS   4  -1.478   3.730  -8.932
   27   1HB   LYS   4          2HB       LYS   4  -0.429   2.318 -11.394
   28   2HB   LYS   4          1HB       LYS   4  -0.511   4.045 -11.066
   29   1HG   LYS   4          2HG       LYS   4   1.367   3.641  -9.307
   30   2HG   LYS   4          1HG       LYS   4   1.512   2.021  -9.934
   31   1HD   LYS   4          2HD       LYS   4   3.099   2.934 -11.249
   32   2HD   LYS   4          1HD       LYS   4   1.704   3.225 -12.278
   33   1HE   LYS   4          2HE       LYS   4   1.433   5.492 -11.287
   34   2HE   LYS   4          1HE       LYS   4   2.826   5.214 -10.253
   35   1HZ   LYS   4          1HZ       LYS   4   3.569   4.684 -12.947
   36   2HZ   LYS   4          3HZ       LYS   4   2.791   6.201 -12.808
   37   3HZ   LYS   4          2HZ       LYS   4   4.132   5.858 -11.850
   38    H    ARG   5           H        ARG   5  -2.841   3.153 -11.452
   39    HA   ARG   5           HA       ARG   5  -4.592   2.011 -12.472
   40   1HB   ARG   5          2HB       ARG   5  -3.542  -0.339 -10.797
   41   2HB   ARG   5          1HB       ARG   5  -4.908  -0.507 -11.843
   42   1HG   ARG   5          2HG       ARG   5  -2.162   0.497 -12.724
   43   2HG   ARG   5          1HG       ARG   5  -2.698  -1.159 -12.890
   44   1HD   ARG   5          2HD       ARG   5  -3.867   1.288 -14.333
   45   2HD   ARG   5          1HD       ARG   5  -3.128  -0.139 -15.021
   46    HE   ARG   5           HE       ARG   5  -5.099  -1.432 -13.973
   47   1HH1  ARG   5          2HH1      ARG   5  -6.540   0.797 -12.652
   48   2HH1  ARG   5          1HH1      ARG   5  -7.673   1.284 -13.823
   49   1HH2  ARG   5          1HH2      ARG   5  -5.932  -0.386 -16.426
   50   2HH2  ARG   5          2HH2      ARG   5  -7.317   0.588 -16.109
   51    H    ASN   6           H        ASN   6  -4.455   1.397  -9.126
   52    HA   ASN   6           HA       ASN   6  -7.306   1.956  -8.523
   53   1HB   ASN   6          2HB       ASN   6  -5.282  -0.186  -7.625
   54   2HB   ASN   6          1HB       ASN   6  -6.478   0.359  -6.478
   55   1HD2  ASN   6          2HD2      ASN   6  -8.952  -1.734  -7.853
   56   2HD2  ASN   6          1HD2      ASN   6  -8.403  -0.786  -6.545
   57    H    TRP   7           H        TRP   7  -7.329   3.345  -6.716
   58    HA   TRP   7           HA       TRP   7  -4.639   4.620  -6.391
   59   1HB   TRP   7          2HB       TRP   7  -5.850   6.632  -5.683
   60   2HB   TRP   7          1HB       TRP   7  -6.357   6.198  -7.293
   61    HD1  TRP   7           HD1      TRP   7  -7.700   5.129  -3.881
   62    HE1  TRP   7           HE1      TRP   7 -10.217   5.579  -3.757
   63    HE3  TRP   7           HE3      TRP   7  -8.312   6.991  -8.496
   64    HZ2  TRP   7           HZ2      TRP   7 -12.101   6.484  -5.367
   65    HZ3  TRP   7           HZ3      TRP   7 -10.586   7.647  -9.213
   66    HH2  TRP   7           HH2      TRP   7 -12.495   7.402  -7.652
   67    H    CYS   8           H        CYS   8  -4.373   5.738  -4.442
   68    HA   CYS   8           HA       CYS   8  -4.905   3.980  -2.117
   69   1HB   CYS   8          2HB       CYS   8  -3.057   5.840  -1.357
   70   2HB   CYS   8          1HB       CYS   8  -2.635   4.351  -2.140
   71    H    GLY   9           H        GLY   9  -5.586   6.870  -3.722
   72   1HA   GLY   9          2HA       GLY   9  -7.467   8.305  -3.358
   73   2HA   GLY   9          1HA       GLY   9  -7.574   7.750  -1.693
   74    H    LYS  10           H        LYS  10  -5.230   7.882  -0.788
   75    HA   LYS  10           HA       LYS  10  -4.193  10.656  -1.024
   76   1HB   LYS  10          2HB       LYS  10  -3.923  10.374   1.609
   77   2HB   LYS  10          1HB       LYS  10  -5.543  10.713   1.018
   78   1HG   LYS  10          2HG       LYS  10  -6.117   8.290   1.053
   79   2HG   LYS  10          1HG       LYS  10  -4.489   7.864   1.416
   80   1HD   LYS  10          2HD       LYS  10  -4.690   8.407   3.660
   81   2HD   LYS  10          1HD       LYS  10  -5.687   9.745   3.316
   82   1HE   LYS  10          2HE       LYS  10  -7.685   8.171   3.154
   83   2HE   LYS  10          1HE       LYS  10  -6.611   6.785   3.035
   84   1HZ   LYS  10          3HZ       LYS  10  -5.991   8.041   5.416
   85   2HZ   LYS  10          2HZ       LYS  10  -7.694   7.852   5.443
   86   3HZ   LYS  10          1HZ       LYS  10  -6.595   6.558   5.179
   87    H    ASN  11           H        ASN  11  -1.942  10.780  -0.087
   88    HA   ASN  11           HA       ASN  11  -0.563   8.463  -1.185
   89   1HB   ASN  11          2HB       ASN  11   1.533   9.657  -0.432
   90   2HB   ASN  11          1HB       ASN  11   0.475  10.750  -1.311
   91   1HD2  ASN  11          2HD2      ASN  11   0.801  11.275   2.732
   92   2HD2  ASN  11          1HD2      ASN  11   1.106   9.725   2.099
   93    H    GLU  12           H        GLU  12  -2.416   8.100   1.337
   94    HA   GLU  12           HA       GLU  12  -0.623   7.549   3.505
   95   1HB   GLU  12          2HB       GLU  12  -2.837   7.954   3.939
   96   2HB   GLU  12          1HB       GLU  12  -3.445   6.796   2.752
   97   1HG   GLU  12          2HG       GLU  12  -2.819   4.928   4.238
   98   2HG   GLU  12          1HG       GLU  12  -2.147   6.070   5.405
   99    H    ASP  13           H        ASP  13  -2.298   5.072   1.462
  100    HA   ASP  13           HA       ASP  13   0.037   3.324   2.158
  101   1HB   ASP  13          2HB       ASP  13  -2.132   2.563   3.112
  102   2HB   ASP  13          1HB       ASP  13  -2.789   2.402   1.484
  103    H    CYS  14           H        CYS  14   0.750   4.702   0.105
  104    HA   CYS  14           HA       CYS  14   0.165   3.198  -2.454
  105   1HB   CYS  14          2HB       CYS  14   0.032   5.638  -2.514
  106   2HB   CYS  14          1HB       CYS  14   1.608   5.775  -1.770
  107    H    CYS  15           H        CYS  15   2.063   2.425  -3.683
  108    HA   CYS  15           HA       CYS  15   4.198   1.425  -1.840
  109   1HB   CYS  15          2HB       CYS  15   2.514   0.074  -3.556
  110   2HB   CYS  15          1HB       CYS  15   3.826   0.375  -4.594
  111    H    CYS  16           H        CYS  16   5.206   3.304  -1.852
  112    HA   CYS  16           HA       CYS  16   5.976   5.070  -3.744
  113   1HB   CYS  16          2HB       CYS  16   8.138   5.197  -2.314
  114   2HB   CYS  16          1HB       CYS  16   6.580   5.596  -1.636
  115    HA   PRO  17           HA       PRO  17   7.664   6.470  -3.708
  116   1HB   PRO  17          2HB       PRO  17   9.317   7.855  -5.019
  117   2HB   PRO  17          1HB       PRO  17   9.951   6.442  -4.121
  118   1HG   PRO  17          2HG       PRO  17   9.259   6.612  -7.132
  119   2HG   PRO  17          1HG       PRO  17  10.735   5.979  -6.404
  120   1HD   PRO  17          2HD       PRO  17   8.442   4.389  -7.025
  121   2HD   PRO  17          1HD       PRO  17   9.732   3.889  -5.921
  122    H    MET  18           H        MET  18   5.669   6.629  -4.071
  123    HA   MET  18           HA       MET  18   4.734   8.324  -6.298
  124   1HB   MET  18          2HB       MET  18   3.773   5.717  -5.302
  125   2HB   MET  18          1HB       MET  18   2.699   6.782  -6.198
  126   1HG   MET  18          2HG       MET  18   3.677   6.001  -8.139
  127   2HG   MET  18          1HG       MET  18   5.207   6.576  -7.534
  128   1HE   MET  18          2HE       MET  18   2.674   4.086  -7.325
  129   2HE   MET  18          1HE       MET  18   3.469   2.541  -7.041
  130   3HE   MET  18          3HE       MET  18   3.330   3.708  -5.723
  131    H    LYS  19           H        LYS  19   2.912   9.214  -5.935
  132    HA   LYS  19           HA       LYS  19   2.065   9.642  -3.070
  133   1HB   LYS  19          2HB       LYS  19   3.683  11.443  -4.068
  134   2HB   LYS  19          1HB       LYS  19   2.397  11.834  -5.182
  135   1HG   LYS  19          2HG       LYS  19   2.112  12.023  -2.144
  136   2HG   LYS  19          1HG       LYS  19   2.606  13.366  -3.136
  137   1HD   LYS  19          2HD       LYS  19   0.467  13.037  -4.502
  138   2HD   LYS  19          1HD       LYS  19  -0.060  11.941  -3.242
  139   1HE   LYS  19          2HE       LYS  19   0.048  13.673  -1.528
  140   2HE   LYS  19          1HE       LYS  19   0.618  14.836  -2.720
  141   1HZ   LYS  19          1HZ       LYS  19  -1.671  13.528  -3.763
  142   2HZ   LYS  19          3HZ       LYS  19  -2.070  14.041  -2.228
  143   3HZ   LYS  19          2HZ       LYS  19  -1.502  15.170  -3.359
  144    H    CYS  20           H        CYS  20  -0.408   9.986  -3.037
  145    HA   CYS  20           HA       CYS  20  -1.509   8.909  -5.505
  146   1HB   CYS  20          2HB       CYS  20  -2.154   8.891  -2.802
  147   2HB   CYS  20          1HB       CYS  20  -3.379   9.946  -3.428
  148    H    ILE  21           H        ILE  21  -2.251  10.091  -7.086
  149    HA   ILE  21           HA       ILE  21  -2.093  13.043  -6.990
  150    HB   ILE  21           HB       ILE  21  -2.577  11.219  -9.392
  151   1HG1  ILE  21          2HG1      ILE  21  -0.571  10.624  -8.313
  152   2HG1  ILE  21          1HG1      ILE  21  -0.294  11.381  -9.893
  153   1HG2  ILE  21          3HG2      ILE  21  -1.491  14.025  -9.259
  154   2HG2  ILE  21          2HG2      ILE  21  -1.652  13.012 -10.689
  155   3HG2  ILE  21          1HG2      ILE  21  -3.092  13.555  -9.853
  156   1HD1  ILE  21          2HD1      ILE  21   0.448  13.470  -8.708
  157   2HD1  ILE  21          1HD1      ILE  21   0.160  12.611  -7.209
  158   3HD1  ILE  21          3HD1      ILE  21   1.411  12.071  -8.249
  159    H    TYR  22           H        TYR  22  -3.714  14.223  -8.038
  160    HA   TYR  22           HA       TYR  22  -6.428  13.033  -7.834
  161   1HB   TYR  22          2HB       TYR  22  -5.587  15.829  -7.067
  162   2HB   TYR  22          1HB       TYR  22  -7.150  15.088  -6.655
  163    HD1  TYR  22           HD1      TYR  22  -6.125  12.449  -5.765
  164    HD2  TYR  22           HD2      TYR  22  -4.715  16.326  -4.905
  165    HE1  TYR  22           HE1      TYR  22  -5.088  11.545  -3.798
  166    HE2  TYR  22           HE2      TYR  22  -3.678  15.429  -2.874
  167    HH   TYR  22           HH       TYR  22  -3.702  12.102  -2.062
  168    H    ALA  23           H        ALA  23  -8.039  14.391  -8.862
  169    HA   ALA  23           HA       ALA  23  -7.031  15.566 -11.434
  170   1HB   ALA  23          2HB       ALA  23  -8.270  13.381 -11.720
  171   2HB   ALA  23          1HB       ALA  23  -9.672  14.073 -10.922
  172   3HB   ALA  23          3HB       ALA  23  -9.132  14.719 -12.457
  173    H    TRP  24           H        TRP  24  -9.989  15.451  -9.488
  174    HA   TRP  24           HA       TRP  24  -9.960  18.416  -9.116
  175   1HB   TRP  24          2HB       TRP  24 -12.121  18.710 -10.111
  176   2HB   TRP  24          1HB       TRP  24 -11.154  17.861 -11.290
  177    HD1  TRP  24           HD1      TRP  24 -11.984  15.171 -11.801
  178    HE1  TRP  24           HE1      TRP  24 -14.115  13.987 -11.223
  179    HE3  TRP  24           HE3      TRP  24 -13.682  18.523  -8.551
  180    HZ2  TRP  24           HZ2      TRP  24 -16.326  14.460  -9.493
  181    HZ3  TRP  24           HZ3      TRP  24 -15.759  18.193  -7.404
  182    HH2  TRP  24           HH2      TRP  24 -17.147  16.132  -7.861
  183    H    TYR  25           H        TYR  25 -12.108  15.683  -8.605
  184    HA   TYR  25           HA       TYR  25 -13.580  16.043  -6.521
  185   1HB   TYR  25          2HB       TYR  25 -12.853  13.677  -5.620
  186   2HB   TYR  25          1HB       TYR  25 -13.541  13.848  -7.210
  187    HD1  TYR  25           HD2      TYR  25 -10.168  13.688  -5.488
  188    HD2  TYR  25           HD1      TYR  25 -12.381  13.087  -9.088
  189    HE1  TYR  25           HE2      TYR  25  -8.231  12.701  -6.533
  190    HE2  TYR  25           HE1      TYR  25 -10.406  12.074 -10.111
  191    HH   TYR  25           HH       TYR  25  -8.095  10.789  -8.785
  192    H    ASN  26           H        ASN  26 -10.152  15.650  -5.803
  193    HA   ASN  26           HA       ASN  26  -8.883  16.145  -3.886
  194   1HB   ASN  26          2HB       ASN  26 -10.161  18.310  -4.311
  195   2HB   ASN  26          1HB       ASN  26 -11.309  17.800  -3.104
  196   1HD2  ASN  26          2HD2      ASN  26  -8.262  18.317  -0.733
  197   2HD2  ASN  26          1HD2      ASN  26  -8.771  16.808  -1.336
  198    H    GLN  27           H        GLN  27 -11.455  14.301  -3.893
  199    HA   GLN  27           HA       GLN  27 -11.587  13.665  -0.992
  200   1HB   GLN  27          2HB       GLN  27 -13.692  14.068  -2.414
  201   2HB   GLN  27          1HB       GLN  27 -13.314  12.599  -3.290
  202   1HG   GLN  27          2HG       GLN  27 -13.410  11.345  -1.064
  203   2HG   GLN  27          1HG       GLN  27 -14.003  12.831  -0.338
  204   1HE2  GLN  27          2HE2      GLN  27 -17.259  12.243  -1.540
  205   2HE2  GLN  27          1HE2      GLN  27 -16.270  13.067  -0.427
  206    H    GLN  28           H        GLN  28 -10.955  12.251  -4.128
  207    HA   GLN  28           HA       GLN  28  -9.509   9.989  -2.822
  208   1HB   GLN  28          2HB       GLN  28 -11.014  10.000  -5.529
  209   2HB   GLN  28          1HB       GLN  28 -10.226   8.610  -4.829
  210   1HG   GLN  28          2HG       GLN  28 -12.575   9.995  -3.485
  211   2HG   GLN  28          1HG       GLN  28 -12.740   8.597  -4.521
  212   1HE2  GLN  28          2HE2      GLN  28 -12.048   7.860  -0.747
  213   2HE2  GLN  28          1HE2      GLN  28 -12.813   9.251  -1.366
  214    H    GLY  29           H        GLY  29  -8.332   8.924  -5.016
  215   1HA   GLY  29          2HA       GLY  29  -6.890  10.904  -6.498
  216   2HA   GLY  29          1HA       GLY  29  -5.907  10.350  -5.155
  217    H    SER  30           H        SER  30  -4.344   9.096  -5.896
  218    HA   SER  30           HA       SER  30  -4.467   6.667  -7.210
  219   1HB   SER  30          2HB       SER  30  -5.386   7.382  -9.242
  220   2HB   SER  30          1HB       SER  30  -4.552   8.941  -9.211
  221    HG   SER  30           HG       SER  30  -2.642   7.879  -9.666
  222    H    CYS  31           H        CYS  31  -2.774   5.934  -6.316
  223    HA   CYS  31           HA       CYS  31  -0.311   6.929  -5.628
  224   1HB   CYS  31          2HB       CYS  31  -1.429   4.567  -5.326
  225   2HB   CYS  31          1HB       CYS  31  -0.819   4.232  -6.889
  226    H    GLN  32           H        GLN  32   0.565   8.492  -7.276
  227    HA   GLN  32           HA       GLN  32   1.360   7.136  -9.784
  228   1HB   GLN  32          2HB       GLN  32  -0.393   9.055  -9.862
  229   2HB   GLN  32          1HB       GLN  32   0.969   9.959  -9.190
  230   1HG   GLN  32          2HG       GLN  32   0.694  10.499 -11.554
  231   2HG   GLN  32          1HG       GLN  32   2.266   9.856 -11.157
  232   1HE2  GLN  32          2HE2      GLN  32  -0.274   7.876 -13.634
  233   2HE2  GLN  32          1HE2      GLN  32  -0.763   9.261 -12.792
  234    H    THR  33           H        THR  33   3.356   7.797 -10.611
  235    HA   THR  33           HA       THR  33   5.066   8.282  -8.363
  236    HB   THR  33           HB       THR  33   6.739   8.286 -10.788
  237    HG1  THR  33           HG1      THR  33   5.509   7.550 -12.188
  238   1HG2  THR  33          1HG2      THR  33   7.067   7.090  -8.789
  239   2HG2  THR  33          3HG2      THR  33   5.801   5.936  -9.270
  240   3HG2  THR  33          2HG2      THR  33   7.263   6.128 -10.249
  241    H    THR  34           H        THR  34   3.892  10.471  -8.303
  242    HA   THR  34           HA       THR  34   5.968  12.141  -9.111
  243    HB   THR  34           HB       THR  34   4.607  12.009 -11.323
  244    HG1  THR  34           HG1      THR  34   4.949  14.113 -11.558
  245   1HG2  THR  34          1HG2      THR  34   2.434  11.628 -10.073
  246   2HG2  THR  34          3HG2      THR  34   2.454  13.332  -9.637
  247   3HG2  THR  34          2HG2      THR  34   2.315  12.856 -11.327
  248    H    ILE  35           H        ILE  35   5.351  14.457  -9.015
  249    HA   ILE  35           HA       ILE  35   5.001  16.351  -7.771
  250    HB   ILE  35           HB       ILE  35   2.546  15.231  -7.430
  251   1HG1  ILE  35          2HG1      ILE  35   3.740  17.356  -5.543
  252   2HG1  ILE  35          1HG1      ILE  35   3.179  17.660  -7.171
  253   1HG2  ILE  35          2HG2      ILE  35   3.237  13.674  -5.483
  254   2HG2  ILE  35          1HG2      ILE  35   3.658  15.092  -4.569
  255   3HG2  ILE  35          3HG2      ILE  35   1.996  14.784  -5.048
  256   1HD1  ILE  35          3HD1      ILE  35   0.870  17.049  -6.542
  257   2HD1  ILE  35          2HD1      ILE  35   1.383  16.766  -4.880
  258   3HD1  ILE  35          1HD1      ILE  35   1.487  18.371  -5.568
  259    H    THR  36           H        THR  36   5.032  13.403  -5.947
  260    HA   THR  36           HA       THR  36   7.572  14.037  -4.614
  261    HB   THR  36           HB       THR  36   4.961  13.379  -3.072
  262    HG1  THR  36           HG1      THR  36   6.174  15.722  -3.954
  263   1HG2  THR  36          2HG2      THR  36   7.694  14.320  -2.061
  264   2HG2  THR  36          1HG2      THR  36   6.284  13.961  -1.076
  265   3HG2  THR  36          3HG2      THR  36   7.119  12.665  -1.919
  266    H    GLY  37           H        GLY  37   6.886  12.411  -6.744
  267   1HA   GLY  37          2HA       GLY  37   6.842   9.658  -5.575
  268   2HA   GLY  37          1HA       GLY  37   6.359  10.058  -7.222
  269    H    LEU  38           H        LEU  38   9.038  11.191  -5.439
  270    HA   LEU  38           HA       LEU  38  10.993   9.470  -6.744
  271   1HB   LEU  38          2HB       LEU  38  10.531  11.016  -8.584
  272   2HB   LEU  38          1HB       LEU  38  10.691  12.408  -7.549
  273    HG   LEU  38           HG       LEU  38  13.166  11.868  -7.286
  274   1HD1  LEU  38          2HD1      LEU  38  12.542   9.586  -9.234
  275   2HD1  LEU  38          1HD1      LEU  38  14.147  10.048  -8.696
  276   3HD1  LEU  38          3HD1      LEU  38  13.007   9.378  -7.555
  277   1HD2  LEU  38          2HD2      LEU  38  12.436  13.333  -9.182
  278   2HD2  LEU  38          1HD2      LEU  38  13.834  12.373  -9.628
  279   3HD2  LEU  38          3HD2      LEU  38  12.239  11.914 -10.196
  280    H    PHE  39           H        PHE  39  10.908  12.726  -5.492
  281    HA   PHE  39           HA       PHE  39  13.051  12.120  -3.522
  282   1HB   PHE  39          2HB       PHE  39  12.930  14.765  -3.369
  283   2HB   PHE  39          1HB       PHE  39  13.611  14.055  -4.826
  284    HD1  PHE  39           HD1      PHE  39  10.359  15.344  -3.405
  285    HD2  PHE  39           HD2      PHE  39  12.599  14.477  -6.932
  286    HE1  PHE  39           HE1      PHE  39   8.616  16.361  -4.769
  287    HE2  PHE  39           HE2      PHE  39  10.834  15.500  -8.294
  288    HZ   PHE  39           HZ       PHE  39   8.829  16.441  -7.205
  289    H    LYS  40           H        LYS  40  10.908  10.913  -2.895
  290    HA   LYS  40           HA       LYS  40   9.157  12.470  -1.105
  291   1HB   LYS  40          2HB       LYS  40   8.064  10.670  -2.298
  292   2HB   LYS  40          1HB       LYS  40   9.332   9.533  -1.943
  293   1HG   LYS  40          2HG       LYS  40   8.668   9.587   0.487
  294   2HG   LYS  40          1HG       LYS  40   7.357  10.680   0.052
  295   1HD   LYS  40          2HD       LYS  40   6.160   8.974  -1.105
  296   2HD   LYS  40          1HD       LYS  40   7.601   8.041  -1.426
  297   1HE   LYS  40          2HE       LYS  40   6.189   6.963   0.377
  298   2HE   LYS  40          1HE       LYS  40   7.785   7.401   0.965
  299   1HZ   LYS  40          2HZ       LYS  40   6.133   9.613   1.286
  300   2HZ   LYS  40          1HZ       LYS  40   5.348   8.254   1.961
  301   3HZ   LYS  40          3HZ       LYS  40   6.922   8.656   2.470
  302    H    LYS  41           H        LYS  41  11.071   9.661  -0.735
  303    HA   LYS  41           HA       LYS  41  12.923   9.359   0.817
  304   1HB   LYS  41          2HB       LYS  41  12.370  11.545   2.118
  305   2HB   LYS  41          1HB       LYS  41  11.050  10.675   2.875
  306   1HG   LYS  41          2HG       LYS  41  12.617   9.034   3.828
  307   2HG   LYS  41          1HG       LYS  41  13.964   9.785   2.998
  308   1HD   LYS  41          2HD       LYS  41  13.372  11.950   4.325
  309   2HD   LYS  41          1HD       LYS  41  12.184  10.996   5.183
  310   1HE   LYS  41          2HE       LYS  41  14.295  11.128   6.481
  311   2HE   LYS  41          1HE       LYS  41  13.947   9.466   6.024
  312   1HZ   LYS  41          3HZ       LYS  41  15.397  10.677   3.942
  313   2HZ   LYS  41          2HZ       LYS  41  16.220  10.988   5.388
  314   3HZ   LYS  41          1HZ       LYS  41  15.883   9.391   4.938
  315    H    CYS  42           H        CYS  42  11.925   7.418  -0.030
  316    HA   CYS  42           HA       CYS  42  10.557   5.820   2.016
  317   1HB   CYS  42          2HB       CYS  42   9.152   6.728  -0.406
  318   2HB   CYS  42          1HB       CYS  42   9.764   5.154  -0.753
   
  No H/Q in entry =         318
  Start of MODEL   15
    1   1H    CYS   1          2H        CYS   1   0.518  -1.321  -0.378
    2   2H    CYS   1          1H        CYS   1   1.935  -1.854   0.353
    3   3H    CYS   1          3H        CYS   1   1.517  -0.215   0.349
    4    HA   CYS   1           HA       CYS   1   2.690   0.020  -1.621
    5   1HB   CYS   1          2HB       CYS   1   4.167  -1.664  -1.370
    6   2HB   CYS   1          1HB       CYS   1   2.947  -2.915  -1.204
    7    H    ALA   2           H        ALA   2   1.717   0.438  -3.603
    8    HA   ALA   2           HA       ALA   2  -0.615  -1.198  -4.487
    9   1HB   ALA   2          3HB       ALA   2  -1.381   0.968  -3.477
   10   2HB   ALA   2          2HB       ALA   2  -0.339   1.831  -4.600
   11   3HB   ALA   2          1HB       ALA   2  -1.722   0.941  -5.200
   12    H    LYS   3           H        LYS   3  -1.087  -0.231  -6.950
   13    HA   LYS   3           HA       LYS   3   1.548   0.049  -8.303
   14   1HB   LYS   3          2HB       LYS   3   0.790  -2.408  -8.030
   15   2HB   LYS   3          1HB       LYS   3  -0.514  -2.025  -9.137
   16   1HG   LYS   3          2HG       LYS   3   0.914  -1.658 -10.960
   17   2HG   LYS   3          1HG       LYS   3   2.310  -1.321  -9.946
   18   1HD   LYS   3          2HD       LYS   3   2.297  -3.706  -9.189
   19   2HD   LYS   3          1HD       LYS   3   0.966  -4.026 -10.299
   20   1HE   LYS   3          2HE       LYS   3   2.374  -3.370 -12.219
   21   2HE   LYS   3          1HE       LYS   3   3.679  -2.899 -11.135
   22   1HZ   LYS   3          2HZ       LYS   3   2.933  -5.547 -10.530
   23   2HZ   LYS   3          1HZ       LYS   3   3.163  -5.429 -12.201
   24   3HZ   LYS   3          3HZ       LYS   3   4.398  -4.963 -11.134
   25    H    LYS   4           H        LYS   4  -0.282   1.939  -7.831
   26    HA   LYS   4           HA       LYS   4  -1.433   3.657  -8.883
   27   1HB   LYS   4          2HB       LYS   4  -0.426   2.348 -11.532
   28   2HB   LYS   4          1HB       LYS   4  -0.896   4.020 -11.323
   29   1HG   LYS   4          2HG       LYS   4   1.046   4.648 -10.216
   30   2HG   LYS   4          1HG       LYS   4   1.315   3.087  -9.510
   31   1HD   LYS   4          2HD       LYS   4   3.084   3.351 -11.122
   32   2HD   LYS   4          1HD       LYS   4   1.973   2.182 -11.767
   33   1HE   LYS   4          2HE       LYS   4   2.627   3.705 -13.567
   34   2HE   LYS   4          1HE       LYS   4   0.931   3.954 -13.202
   35   1HZ   LYS   4          2HZ       LYS   4   2.378   5.655 -11.533
   36   2HZ   LYS   4          1HZ       LYS   4   3.009   5.869 -13.093
   37   3HZ   LYS   4          3HZ       LYS   4   1.362   6.062 -12.787
   38    H    ARG   5           H        ARG   5  -3.150   3.971 -10.755
   39    HA   ARG   5           HA       ARG   5  -5.256   3.488 -11.626
   40   1HB   ARG   5          2HB       ARG   5  -4.158   1.340 -12.558
   41   2HB   ARG   5          1HB       ARG   5  -4.621   0.525 -11.085
   42   1HG   ARG   5          2HG       ARG   5  -6.943   0.681 -11.473
   43   2HG   ARG   5          1HG       ARG   5  -6.807   1.973 -12.626
   44   1HD   ARG   5          2HD       ARG   5  -6.088  -0.969 -13.056
   45   2HD   ARG   5          1HD       ARG   5  -7.337  -0.046 -13.876
   46    HE   ARG   5           HE       ARG   5  -4.475   0.014 -14.495
   47   1HH1  ARG   5          2HH1      ARG   5  -5.244   2.760 -13.889
   48   2HH1  ARG   5          1HH1      ARG   5  -5.757   3.419 -15.405
   49   1HH2  ARG   5          1HH2      ARG   5  -6.111   0.122 -16.733
   50   2HH2  ARG   5          2HH2      ARG   5  -6.297   1.771 -17.163
   51    H    ASN   6           H        ASN   6  -4.669   1.208  -8.949
   52    HA   ASN   6           HA       ASN   6  -7.365   1.955  -7.746
   53   1HB   ASN   6          2HB       ASN   6  -6.096  -0.558  -7.766
   54   2HB   ASN   6          1HB       ASN   6  -5.323   0.160  -6.361
   55   1HD2  ASN   6          2HD2      ASN   6  -9.121  -1.053  -5.988
   56   2HD2  ASN   6          1HD2      ASN   6  -8.194  -1.448  -7.357
   57    H    TRP   7           H        TRP   7  -7.382   2.936  -5.755
   58    HA   TRP   7           HA       TRP   7  -4.827   4.430  -5.419
   59   1HB   TRP   7          2HB       TRP   7  -6.129   6.383  -4.830
   60   2HB   TRP   7          1HB       TRP   7  -6.698   5.787  -6.372
   61    HD1  TRP   7           HD1      TRP   7  -7.723   4.859  -2.881
   62    HE1  TRP   7           HE1      TRP   7 -10.185   5.254  -2.543
   63    HE3  TRP   7           HE3      TRP   7  -8.721   6.512  -7.466
   64    HZ2  TRP   7           HZ2      TRP   7 -12.262   6.062  -4.055
   65    HZ3  TRP   7           HZ3      TRP   7 -11.080   7.091  -8.053
   66    HH2  TRP   7           HH2      TRP   7 -12.855   6.864  -6.348
   67    H    CYS   8           H        CYS   8  -4.665   5.596  -3.661
   68    HA   CYS   8           HA       CYS   8  -4.796   3.972  -1.187
   69   1HB   CYS   8          2HB       CYS   8  -2.928   5.848  -0.768
   70   2HB   CYS   8          1HB       CYS   8  -2.614   4.430  -1.716
   71    H    GLY   9           H        GLY   9  -6.036   6.703  -2.719
   72   1HA   GLY   9          2HA       GLY   9  -7.889   8.072  -1.973
   73   2HA   GLY   9          1HA       GLY   9  -7.612   7.511  -0.320
   74    H    LYS  10           H        LYS  10  -5.251   7.817   0.289
   75    HA   LYS  10           HA       LYS  10  -4.232  10.508  -0.410
   76   1HB   LYS  10          2HB       LYS  10  -3.881  10.963   2.027
   77   2HB   LYS  10          1HB       LYS  10  -5.573  10.593   1.739
   78   1HG   LYS  10          2HG       LYS  10  -5.462   8.465   2.798
   79   2HG   LYS  10          1HG       LYS  10  -3.808   8.213   2.354
   80   1HD   LYS  10          2HD       LYS  10  -3.362   8.584   4.485
   81   2HD   LYS  10          1HD       LYS  10  -3.404  10.250   4.059
   82   1HE   LYS  10          2HE       LYS  10  -5.653   8.536   5.324
   83   2HE   LYS  10          1HE       LYS  10  -4.782   9.835   6.089
   84   1HZ   LYS  10          1HZ       LYS  10  -5.895  10.831   3.742
   85   2HZ   LYS  10          3HZ       LYS  10  -7.096   9.906   4.507
   86   3HZ   LYS  10          2HZ       LYS  10  -6.360  11.199   5.341
   87    H    ASN  11           H        ASN  11  -1.976  10.579   0.998
   88    HA   ASN  11           HA       ASN  11  -0.364   8.635  -0.385
   89   1HB   ASN  11          2HB       ASN  11   0.374  10.997   0.154
   90   2HB   ASN  11          1HB       ASN  11   0.355  10.603   1.854
   91   1HD2  ASN  11          2HD2      ASN  11   3.445   8.581   0.221
   92   2HD2  ASN  11          1HD2      ASN  11   1.839   8.131  -0.078
   93    H    GLU  12           H        GLU  12  -2.230   7.316   1.483
   94    HA   GLU  12           HA       GLU  12  -0.721   6.360   3.787
   95   1HB   GLU  12          2HB       GLU  12  -3.542   6.254   2.897
   96   2HB   GLU  12          1HB       GLU  12  -3.023   4.689   3.433
   97   1HG   GLU  12          2HG       GLU  12  -2.570   5.339   5.600
   98   2HG   GLU  12          1HG       GLU  12  -2.299   7.016   5.216
   99    H    ASP  13           H        ASP  13  -2.161   4.386   1.075
  100    HA   ASP  13           HA       ASP  13   0.196   2.582   1.570
  101   1HB   ASP  13          2HB       ASP  13  -1.863   1.462   2.347
  102   2HB   ASP  13          1HB       ASP  13  -2.542   1.585   0.722
  103    H    CYS  14           H        CYS  14   1.503   3.079  -0.025
  104    HA   CYS  14           HA       CYS  14   0.727   2.315  -2.808
  105   1HB   CYS  14          2HB       CYS  14   1.922   4.898  -1.877
  106   2HB   CYS  14          1HB       CYS  14   2.039   4.299  -3.494
  107    H    CYS  15           H        CYS  15   2.606   1.988  -4.144
  108    HA   CYS  15           HA       CYS  15   4.809   0.814  -2.524
  109   1HB   CYS  15          2HB       CYS  15   3.290  -0.158  -4.538
  110   2HB   CYS  15          1HB       CYS  15   4.618   0.405  -5.453
  111    H    CYS  16           H        CYS  16   5.824   2.617  -2.069
  112    HA   CYS  16           HA       CYS  16   6.451   4.838  -3.425
  113   1HB   CYS  16          2HB       CYS  16   8.587   4.874  -2.185
  114   2HB   CYS  16          1HB       CYS  16   7.187   4.505  -1.213
  115    HA   PRO  17           HA       PRO  17   7.894   6.308  -3.767
  116   1HB   PRO  17          2HB       PRO  17   8.331   8.016  -5.724
  117   2HB   PRO  17          1HB       PRO  17   9.717   7.129  -5.054
  118   1HG   PRO  17          2HG       PRO  17   8.021   6.325  -7.523
  119   2HG   PRO  17          1HG       PRO  17   9.768   6.555  -7.473
  120   1HD   PRO  17          2HD       PRO  17   8.673   4.064  -7.084
  121   2HD   PRO  17          1HD       PRO  17  10.101   4.542  -6.151
  122    H    MET  18           H        MET  18   5.970   7.446  -3.771
  123    HA   MET  18           HA       MET  18   3.984   7.432  -5.899
  124   1HB   MET  18          2HB       MET  18   4.044   5.103  -4.586
  125   2HB   MET  18          1HB       MET  18   3.172   6.053  -3.405
  126   1HG   MET  18          2HG       MET  18   1.326   6.244  -4.760
  127   2HG   MET  18          1HG       MET  18   2.232   6.362  -6.249
  128   1HE   MET  18          3HE       MET  18   3.839   4.659  -6.731
  129   2HE   MET  18          2HE       MET  18   3.647   2.931  -6.540
  130   3HE   MET  18          1HE       MET  18   2.754   3.801  -7.831
  131    H    LYS  19           H        LYS  19   2.078   8.384  -5.154
  132    HA   LYS  19           HA       LYS  19   1.911   9.909  -2.721
  133   1HB   LYS  19          2HB       LYS  19   3.372  11.444  -4.203
  134   2HB   LYS  19          1HB       LYS  19   2.150  11.314  -5.463
  135   1HG   LYS  19          2HG       LYS  19   0.517  12.512  -4.215
  136   2HG   LYS  19          1HG       LYS  19   1.349  12.267  -2.682
  137   1HD   LYS  19          2HD       LYS  19   3.216  13.749  -3.493
  138   2HD   LYS  19          1HD       LYS  19   2.318  13.992  -4.988
  139   1HE   LYS  19          2HE       LYS  19   0.509  15.140  -3.818
  140   2HE   LYS  19          1HE       LYS  19   1.161  14.701  -2.241
  141   1HZ   LYS  19          2HZ       LYS  19   3.172  16.051  -3.681
  142   2HZ   LYS  19          1HZ       LYS  19   1.770  16.976  -3.810
  143   3HZ   LYS  19          3HZ       LYS  19   2.358  16.605  -2.284
  144    H    CYS  20           H        CYS  20  -0.511  10.281  -2.604
  145    HA   CYS  20           HA       CYS  20  -1.833   8.643  -4.671
  146   1HB   CYS  20          2HB       CYS  20  -2.163   8.883  -2.063
  147   2HB   CYS  20          1HB       CYS  20  -3.285  10.144  -2.488
  148    H    ILE  21           H        ILE  21  -3.053   9.678  -6.330
  149    HA   ILE  21           HA       ILE  21  -2.822  12.609  -6.279
  150    HB   ILE  21           HB       ILE  21  -2.672  10.524  -8.475
  151   1HG1  ILE  21          2HG1      ILE  21  -0.684  10.847  -7.146
  152   2HG1  ILE  21          1HG1      ILE  21  -0.455  11.492  -8.748
  153   1HG2  ILE  21          3HG2      ILE  21  -2.694  13.528  -8.916
  154   2HG2  ILE  21          2HG2      ILE  21  -2.292  12.284 -10.091
  155   3HG2  ILE  21          1HG2      ILE  21  -3.920  12.360  -9.457
  156   1HD1  ILE  21          2HD1      ILE  21  -1.047  13.189  -6.270
  157   2HD1  ILE  21          1HD1      ILE  21   0.430  12.828  -7.042
  158   3HD1  ILE  21          3HD1      ILE  21  -0.750  13.798  -7.902
  159    H    TYR  22           H        TYR  22  -4.082  13.831  -6.767
  160    HA   TYR  22           HA       TYR  22  -6.953  13.306  -6.605
  161   1HB   TYR  22          2HB       TYR  22  -5.150  15.743  -6.228
  162   2HB   TYR  22          1HB       TYR  22  -6.819  15.660  -5.668
  163    HD1  TYR  22           HD1      TYR  22  -7.338  13.498  -4.079
  164    HD2  TYR  22           HD2      TYR  22  -3.465  15.094  -4.823
  165    HE1  TYR  22           HE1      TYR  22  -6.469  12.310  -2.101
  166    HE2  TYR  22           HE2      TYR  22  -2.607  13.914  -2.875
  167    HH   TYR  22           HH       TYR  22  -3.232  13.000  -0.904
  168    H    ALA  23           H        ALA  23  -4.559  14.133  -8.843
  169    HA   ALA  23           HA       ALA  23  -4.598  15.020 -11.045
  170   1HB   ALA  23          3HB       ALA  23  -5.776  12.793 -11.333
  171   2HB   ALA  23          2HB       ALA  23  -7.300  13.590 -10.966
  172   3HB   ALA  23          1HB       ALA  23  -6.424  14.015 -12.420
  173    H    TRP  24           H        TRP  24  -5.403  16.674  -9.075
  174    HA   TRP  24           HA       TRP  24  -6.048  18.947  -8.936
  175   1HB   TRP  24          2HB       TRP  24  -7.053  20.102 -10.760
  176   2HB   TRP  24          1HB       TRP  24  -6.633  18.683 -11.685
  177    HD1  TRP  24           HD1      TRP  24  -8.698  17.464 -12.868
  178    HE1  TRP  24           HE1      TRP  24 -11.191  17.594 -12.711
  179    HE3  TRP  24           HE3      TRP  24  -9.053  20.623  -8.924
  180    HZ2  TRP  24           HZ2      TRP  24 -13.072  18.826 -11.165
  181    HZ3  TRP  24           HZ3      TRP  24 -11.300  21.259  -8.125
  182    HH2  TRP  24           HH2      TRP  24 -13.311  20.359  -9.249
  183    H    TYR  25           H        TYR  25  -8.475  16.636  -9.884
  184    HA   TYR  25           HA       TYR  25 -10.731  17.386  -8.582
  185   1HB   TYR  25          2HB       TYR  25  -9.662  14.808  -9.478
  186   2HB   TYR  25          1HB       TYR  25 -10.631  14.574  -8.045
  187    HD1  TYR  25           HD2      TYR  25 -12.973  15.517  -7.995
  188    HD2  TYR  25           HD1      TYR  25 -10.670  15.355 -11.567
  189    HE1  TYR  25           HE2      TYR  25 -15.003  15.804  -9.306
  190    HE2  TYR  25           HE1      TYR  25 -12.706  15.636 -12.888
  191    HH   TYR  25           HH       TYR  25 -14.969  16.416 -12.695
  192    H    ASN  26           H        ASN  26 -11.793  17.081  -6.728
  193    HA   ASN  26           HA       ASN  26 -10.099  16.526  -4.318
  194   1HB   ASN  26          2HB       ASN  26 -10.888  18.970  -4.837
  195   2HB   ASN  26          1HB       ASN  26 -12.491  18.387  -4.398
  196   1HD2  ASN  26          2HD2      ASN  26  -9.648  18.674  -1.491
  197   2HD2  ASN  26          1HD2      ASN  26  -9.152  18.658  -3.117
  198    H    GLN  27           H        GLN  27 -10.880  14.333  -4.926
  199    HA   GLN  27           HA       GLN  27 -13.421  13.765  -3.468
  200   1HB   GLN  27          2HB       GLN  27 -12.555  12.666  -6.196
  201   2HB   GLN  27          1HB       GLN  27 -13.788  11.870  -5.246
  202   1HG   GLN  27          2HG       GLN  27 -13.968  14.817  -6.041
  203   2HG   GLN  27          1HG       GLN  27 -14.638  13.536  -7.025
  204   1HE2  GLN  27          2HE2      GLN  27 -16.621  13.228  -3.584
  205   2HE2  GLN  27          1HE2      GLN  27 -15.049  12.609  -3.770
  206    H    GLN  28           H        GLN  28 -10.959  11.785  -5.071
  207    HA   GLN  28           HA       GLN  28 -10.150  10.585  -2.483
  208   1HB   GLN  28          2HB       GLN  28 -11.114   9.116  -5.007
  209   2HB   GLN  28          1HB       GLN  28 -10.131   8.329  -3.801
  210   1HG   GLN  28          2HG       GLN  28 -12.460   9.730  -2.591
  211   2HG   GLN  28          1HG       GLN  28 -12.914   8.438  -3.688
  212   1HE2  GLN  28          2HE2      GLN  28 -12.404   6.229  -0.973
  213   2HE2  GLN  28          1HE2      GLN  28 -13.475   6.782  -2.174
  214    H    GLY  29           H        GLY  29  -8.248   8.863  -3.596
  215   1HA   GLY  29          2HA       GLY  29  -6.497  10.800  -5.070
  216   2HA   GLY  29          1HA       GLY  29  -5.885   9.774  -3.796
  217    H    SER  30           H        SER  30  -4.334   9.042  -5.338
  218    HA   SER  30           HA       SER  30  -4.990   6.528  -6.556
  219   1HB   SER  30          2HB       SER  30  -4.455   7.263  -8.967
  220   2HB   SER  30          1HB       SER  30  -5.989   7.887  -8.340
  221    HG   SER  30           HG       SER  30  -5.166   9.821  -8.122
  222    H    CYS  31           H        CYS  31  -3.293   5.348  -6.122
  223    HA   CYS  31           HA       CYS  31  -0.811   6.262  -5.276
  224   1HB   CYS  31          2HB       CYS  31  -2.035   3.743  -6.246
  225   2HB   CYS  31          1HB       CYS  31  -0.324   3.710  -6.166
  226    H    GLN  32           H        GLN  32  -0.190   7.938  -6.695
  227    HA   GLN  32           HA       GLN  32   1.137   7.074  -9.182
  228   1HB   GLN  32          2HB       GLN  32  -1.087   8.011  -9.557
  229   2HB   GLN  32          1HB       GLN  32  -0.640   9.418  -8.665
  230   1HG   GLN  32          2HG       GLN  32  -0.232  10.232 -10.771
  231   2HG   GLN  32          1HG       GLN  32   1.340   9.468 -10.544
  232   1HE2  GLN  32          2HE2      GLN  32  -1.017   8.232 -13.451
  233   2HE2  GLN  32          1HE2      GLN  32  -1.291   9.650 -12.549
  234    H    THR  33           H        THR  33   3.238   7.297  -8.940
  235    HA   THR  33           HA       THR  33   4.189   9.242  -7.052
  236    HB   THR  33           HB       THR  33   5.709   7.643  -7.001
  237    HG1  THR  33           HG1      THR  33   7.464   8.718  -7.562
  238   1HG2  THR  33          2HG2      THR  33   5.538   7.363  -9.991
  239   2HG2  THR  33          1HG2      THR  33   6.521   6.348  -8.927
  240   3HG2  THR  33          3HG2      THR  33   4.774   6.250  -8.817
  241    H    THR  34           H        THR  34   3.065  10.993  -8.263
  242    HA   THR  34           HA       THR  34   4.893  12.180 -10.247
  243    HB   THR  34           HB       THR  34   2.933  11.003 -11.556
  244    HG1  THR  34           HG1      THR  34   3.022  12.685 -12.853
  245   1HG2  THR  34          1HG2      THR  34   1.284  11.481  -9.672
  246   2HG2  THR  34          3HG2      THR  34   1.329  13.181 -10.094
  247   3HG2  THR  34          2HG2      THR  34   0.702  12.024 -11.248
  248    H    ILE  35           H        ILE  35   4.393  14.218 -10.815
  249    HA   ILE  35           HA       ILE  35   4.311  16.484 -10.409
  250    HB   ILE  35           HB       ILE  35   1.860  15.682  -9.540
  251   1HG1  ILE  35          2HG1      ILE  35   3.046  18.402  -8.794
  252   2HG1  ILE  35          1HG1      ILE  35   2.558  17.959 -10.412
  253   1HG2  ILE  35          1HG2      ILE  35   2.558  15.124  -7.150
  254   2HG2  ILE  35          3HG2      ILE  35   3.060  16.787  -6.966
  255   3HG2  ILE  35          2HG2      ILE  35   1.378  16.363  -7.239
  256   1HD1  ILE  35          3HD1      ILE  35   0.218  17.623  -9.632
  257   2HD1  ILE  35          2HD1      ILE  35   0.675  18.130  -8.014
  258   3HD1  ILE  35          1HD1      ILE  35   0.784  19.255  -9.342
  259    H    THR  36           H        THR  36   4.492  14.517  -7.569
  260    HA   THR  36           HA       THR  36   7.044  15.758  -6.729
  261    HB   THR  36           HB       THR  36   6.073  15.838  -4.252
  262    HG1  THR  36           HG1      THR  36   3.947  15.124  -5.821
  263   1HG2  THR  36          1HG2      THR  36   4.695  17.687  -6.287
  264   2HG2  THR  36          3HG2      THR  36   4.913  18.002  -4.576
  265   3HG2  THR  36          2HG2      THR  36   6.287  17.946  -5.659
  266    H    GLY  37           H        GLY  37   6.160  13.272  -7.970
  267   1HA   GLY  37          2HA       GLY  37   6.220  11.169  -5.941
  268   2HA   GLY  37          1HA       GLY  37   6.328  10.946  -7.693
  269    H    LEU  38           H        LEU  38   8.426  13.119  -6.642
  270    HA   LEU  38           HA       LEU  38  10.710  11.229  -6.411
  271   1HB   LEU  38          2HB       LEU  38  10.692  12.218  -8.610
  272   2HB   LEU  38          1HB       LEU  38  10.271  13.782  -7.971
  273    HG   LEU  38           HG       LEU  38  12.593  13.978  -6.990
  274   1HD1  LEU  38          2HD1      LEU  38  13.057  11.206  -8.203
  275   2HD1  LEU  38          1HD1      LEU  38  14.271  12.210  -7.433
  276   3HD1  LEU  38          3HD1      LEU  38  12.956  11.559  -6.484
  277   1HD2  LEU  38          3HD2      LEU  38  12.614  13.059  -9.903
  278   2HD2  LEU  38          2HD2      LEU  38  12.249  14.683  -9.354
  279   3HD2  LEU  38          1HD2      LEU  38  13.860  14.024  -9.131
  280    H    PHE  39           H        PHE  39   8.749  13.440  -4.888
  281    HA   PHE  39           HA       PHE  39  10.974  14.539  -3.206
  282   1HB   PHE  39          2HB       PHE  39   8.038  15.375  -3.331
  283   2HB   PHE  39          1HB       PHE  39   9.289  16.160  -2.402
  284    HD1  PHE  39           HD2      PHE  39  10.988  15.482  -5.399
  285    HD2  PHE  39           HD1      PHE  39   7.842  17.925  -3.873
  286    HE1  PHE  39           HE2      PHE  39  11.329  17.057  -7.217
  287    HE2  PHE  39           HE1      PHE  39   8.204  19.511  -5.710
  288    HZ   PHE  39           HZ       PHE  39   9.948  19.081  -7.385
  289    H    LYS  40           H        LYS  40  10.535  11.897  -2.930
  290    HA   LYS  40           HA       LYS  40   9.330  11.800  -0.243
  291   1HB   LYS  40          2HB       LYS  40   7.653  10.987  -2.165
  292   2HB   LYS  40          1HB       LYS  40   8.713   9.611  -2.321
  293   1HG   LYS  40          2HG       LYS  40   6.977   8.946  -0.812
  294   2HG   LYS  40          1HG       LYS  40   8.374   9.179   0.213
  295   1HD   LYS  40          2HD       LYS  40   7.497  11.586   0.643
  296   2HD   LYS  40          1HD       LYS  40   6.080  11.141  -0.279
  297   1HE   LYS  40          2HE       LYS  40   5.624   9.291   1.385
  298   2HE   LYS  40          1HE       LYS  40   6.986   9.863   2.345
  299   1HZ   LYS  40          1HZ       LYS  40   5.302  12.056   1.702
  300   2HZ   LYS  40          3HZ       LYS  40   4.345  10.830   2.321
  301   3HZ   LYS  40          2HZ       LYS  40   5.664  11.421   3.244
  302    H    LYS  41           H        LYS  41  10.159   9.905   0.916
  303    HA   LYS  41           HA       LYS  41  12.572   8.711  -0.335
  304   1HB   LYS  41          2HB       LYS  41  12.729  10.742   1.638
  305   2HB   LYS  41          1HB       LYS  41  12.822   9.276   2.599
  306   1HG   LYS  41          2HG       LYS  41  14.540   9.883   0.154
  307   2HG   LYS  41          1HG       LYS  41  15.063  10.087   1.817
  308   1HD   LYS  41          2HD       LYS  41  15.429   7.808   2.146
  309   2HD   LYS  41          1HD       LYS  41  14.020   7.319   1.258
  310   1HE   LYS  41          2HE       LYS  41  16.158   6.625   0.159
  311   2HE   LYS  41          1HE       LYS  41  15.137   7.597  -0.883
  312   1HZ   LYS  41          2HZ       LYS  41  16.776   9.321   0.622
  313   2HZ   LYS  41          1HZ       LYS  41  17.769   8.138  -0.083
  314   3HZ   LYS  41          3HZ       LYS  41  16.760   9.092  -1.057
  315    H    CYS  42           H        CYS  42  12.440   6.577  -0.123
  316    HA   CYS  42           HA       CYS  42  10.945   5.344   2.081
  317   1HB   CYS  42          2HB       CYS  42   9.483   5.591  -0.095
  318   2HB   CYS  42          1HB       CYS  42  10.645   4.559  -0.877
   
  No H/Q in entry =         318
  Start of MODEL   16
    1   1H    CYS   1          2H        CYS   1   0.474   0.244   0.016
    2   2H    CYS   1          1H        CYS   1   1.871  -0.486   0.653
    3   3H    CYS   1          3H        CYS   1   1.896   1.152   0.161
    4    HA   CYS   1           HA       CYS   1   2.516   0.612  -1.833
    5   1HB   CYS   1          2HB       CYS   1   3.727  -1.028  -1.068
    6   2HB   CYS   1          1HB       CYS   1   2.333  -2.110  -0.808
    7    H    ALA   2           H        ALA   2   0.830   1.458  -2.990
    8    HA   ALA   2           HA       ALA   2  -1.192  -0.454  -4.061
    9   1HB   ALA   2          1HB       ALA   2  -1.503   2.568  -3.541
   10   2HB   ALA   2          3HB       ALA   2  -2.736   1.524  -4.223
   11   3HB   ALA   2          2HB       ALA   2  -2.237   1.314  -2.555
   12    H    LYS   3           H        LYS   3  -1.748   0.394  -6.395
   13    HA   LYS   3           HA       LYS   3   0.690   1.719  -7.540
   14   1HB   LYS   3          2HB       LYS   3  -0.789  -0.719  -8.585
   15   2HB   LYS   3          1HB       LYS   3   0.161   0.286  -9.657
   16   1HG   LYS   3          2HG       LYS   3   2.115  -0.037  -7.958
   17   2HG   LYS   3          1HG       LYS   3   1.132  -1.313  -7.257
   18   1HD   LYS   3          2HD       LYS   3   1.073  -2.522  -9.441
   19   2HD   LYS   3          1HD       LYS   3   1.877  -1.188 -10.233
   20   1HE   LYS   3          2HE       LYS   3   3.571  -2.844  -9.882
   21   2HE   LYS   3          1HE       LYS   3   3.897  -1.557  -8.743
   22   1HZ   LYS   3          1HZ       LYS   3   2.174  -3.440  -7.513
   23   2HZ   LYS   3          3HZ       LYS   3   3.484  -4.267  -8.196
   24   3HZ   LYS   3          2HZ       LYS   3   3.745  -3.011  -7.082
   25    H    LYS   4           H        LYS   4   0.444   2.825  -9.472
   26    HA   LYS   4           HA       LYS   4  -1.610   4.624  -9.489
   27   1HB   LYS   4          2HB       LYS   4  -0.939   5.189 -11.877
   28   2HB   LYS   4          1HB       LYS   4   0.429   5.062 -10.829
   29   1HG   LYS   4          2HG       LYS   4  -0.360   2.828 -12.754
   30   2HG   LYS   4          1HG       LYS   4   0.714   4.138 -13.171
   31   1HD   LYS   4          2HD       LYS   4   2.230   3.414 -11.211
   32   2HD   LYS   4          1HD       LYS   4   1.208   1.997 -11.060
   33   1HE   LYS   4          2HE       LYS   4   3.132   1.366 -12.392
   34   2HE   LYS   4          1HE       LYS   4   1.707   1.333 -13.412
   35   1HZ   LYS   4          1HZ       LYS   4   2.916   3.915 -13.569
   36   2HZ   LYS   4          3HZ       LYS   4   4.088   2.744 -13.841
   37   3HZ   LYS   4          2HZ       LYS   4   2.688   2.775 -14.796
   38    H    ARG   5           H        ARG   5  -3.691   4.279  -9.684
   39    HA   ARG   5           HA       ARG   5  -5.579   3.813 -11.301
   40   1HB   ARG   5          2HB       ARG   5  -4.415   2.187 -12.652
   41   2HB   ARG   5          1HB       ARG   5  -4.280   1.057 -11.293
   42   1HG   ARG   5          2HG       ARG   5  -6.818   0.878 -11.331
   43   2HG   ARG   5          1HG       ARG   5  -6.831   1.875 -12.771
   44   1HD   ARG   5          2HD       ARG   5  -5.525  -0.872 -12.385
   45   2HD   ARG   5          1HD       ARG   5  -6.801  -0.452 -13.519
   46    HE   ARG   5           HE       ARG   5  -5.103   0.983 -14.724
   47   1HH1  ARG   5          2HH1      ARG   5  -2.926   1.074 -12.818
   48   2HH1  ARG   5          1HH1      ARG   5  -1.864  -0.182 -13.305
   49   1HH2  ARG   5          1HH2      ARG   5  -4.401  -1.691 -15.300
   50   2HH2  ARG   5          2HH2      ARG   5  -2.744  -1.866 -14.860
   51    H    ASN   6           H        ASN   6  -4.305   1.657  -8.812
   52    HA   ASN   6           HA       ASN   6  -7.102   1.540  -7.621
   53   1HB   ASN   6          2HB       ASN   6  -5.306  -0.631  -8.243
   54   2HB   ASN   6          1HB       ASN   6  -5.210  -0.441  -6.497
   55   1HD2  ASN   6          2HD2      ASN   6  -8.355  -1.972  -6.059
   56   2HD2  ASN   6          1HD2      ASN   6  -6.892  -1.472  -5.348
   57    H    TRP   7           H        TRP   7  -6.527   3.571  -7.126
   58    HA   TRP   7           HA       TRP   7  -4.431   4.525  -5.665
   59   1HB   TRP   7          2HB       TRP   7  -5.795   6.370  -5.099
   60   2HB   TRP   7          1HB       TRP   7  -6.403   5.819  -6.640
   61    HD1  TRP   7           HD1      TRP   7  -7.374   4.745  -3.074
   62    HE1  TRP   7           HE1      TRP   7  -9.821   5.041  -2.714
   63    HE3  TRP   7           HE3      TRP   7  -8.494   6.693  -7.574
   64    HZ2  TRP   7           HZ2      TRP   7 -11.962   5.953  -4.128
   65    HZ3  TRP   7           HZ3      TRP   7 -10.856   7.294  -8.039
   66    HH2  TRP   7           HH2      TRP   7 -12.587   6.921  -6.316
   67    H    CYS   8           H        CYS   8  -4.570   5.567  -3.748
   68    HA   CYS   8           HA       CYS   8  -4.953   3.796  -1.379
   69   1HB   CYS   8          2HB       CYS   8  -3.050   5.645  -0.692
   70   2HB   CYS   8          1HB       CYS   8  -2.710   4.103  -1.414
   71    H    GLY   9           H        GLY   9  -5.811   6.744  -2.809
   72   1HA   GLY   9          2HA       GLY   9  -7.678   8.122  -2.069
   73   2HA   GLY   9          1HA       GLY   9  -7.431   7.506  -0.422
   74    H    LYS  10           H        LYS  10  -5.001   7.742   0.189
   75    HA   LYS  10           HA       LYS  10  -3.868  10.367  -0.446
   76   1HB   LYS  10          2HB       LYS  10  -5.255  10.679   1.618
   77   2HB   LYS  10          1HB       LYS  10  -4.671   9.160   2.269
   78   1HG   LYS  10          2HG       LYS  10  -2.357  10.098   2.443
   79   2HG   LYS  10          1HG       LYS  10  -2.947  11.655   1.884
   80   1HD   LYS  10          2HD       LYS  10  -4.099  10.130   4.259
   81   2HD   LYS  10          1HD       LYS  10  -2.749  11.216   4.438
   82   1HE   LYS  10          2HE       LYS  10  -4.127  13.122   3.728
   83   2HE   LYS  10          1HE       LYS  10  -5.447  12.074   3.244
   84   1HZ   LYS  10          1HZ       LYS  10  -4.840  11.501   5.917
   85   2HZ   LYS  10          3HZ       LYS  10  -4.947  13.188   5.786
   86   3HZ   LYS  10          2HZ       LYS  10  -6.257  12.226   5.313
   87    H    ASN  11           H        ASN  11  -1.760  10.245  -0.263
   88    HA   ASN  11           HA       ASN  11  -0.303   8.166  -1.171
   89   1HB   ASN  11          2HB       ASN  11   0.593  10.443  -0.663
   90   2HB   ASN  11          1HB       ASN  11   0.632  10.034   1.050
   91   1HD2  ASN  11          2HD2      ASN  11   3.843   8.722   0.559
   92   2HD2  ASN  11          1HD2      ASN  11   2.841   9.737   1.486
   93    H    GLU  12           H        GLU  12  -1.543   8.258   1.967
   94    HA   GLU  12           HA       GLU  12  -0.327   6.898   3.800
   95   1HB   GLU  12          2HB       GLU  12  -3.001   7.268   3.180
   96   2HB   GLU  12          1HB       GLU  12  -2.913   5.518   3.180
   97   1HG   GLU  12          2HG       GLU  12  -3.451   6.246   5.439
   98   2HG   GLU  12          1HG       GLU  12  -1.813   5.640   5.467
   99    H    ASP  13           H        ASP  13  -1.961   4.635   1.548
  100    HA   ASP  13           HA       ASP  13   0.196   2.689   2.265
  101   1HB   ASP  13          2HB       ASP  13  -2.651   2.192   1.286
  102   2HB   ASP  13          1HB       ASP  13  -1.459   0.924   1.389
  103    H    CYS  14           H        CYS  14   0.737   4.647   0.160
  104    HA   CYS  14           HA       CYS  14   0.386   3.200  -2.413
  105   1HB   CYS  14          2HB       CYS  14   0.484   5.729  -2.173
  106   2HB   CYS  14          1HB       CYS  14   2.190   5.564  -1.821
  107    H    CYS  15           H        CYS  15   2.204   2.855  -3.730
  108    HA   CYS  15           HA       CYS  15   4.396   1.404  -2.319
  109   1HB   CYS  15          2HB       CYS  15   2.583   0.360  -4.168
  110   2HB   CYS  15          1HB       CYS  15   3.861   0.886  -5.214
  111    H    CYS  16           H        CYS  16   5.872   2.781  -2.206
  112    HA   CYS  16           HA       CYS  16   6.601   5.058  -3.448
  113   1HB   CYS  16          2HB       CYS  16   8.844   3.158  -2.887
  114   2HB   CYS  16          1HB       CYS  16   8.659   4.817  -2.414
  115    HA   PRO  17           HA       PRO  17   7.833   6.348  -4.210
  116   1HB   PRO  17          2HB       PRO  17   9.596   7.660  -5.674
  117   2HB   PRO  17          1HB       PRO  17  10.178   6.151  -4.938
  118   1HG   PRO  17          2HG       PRO  17   9.222   6.614  -7.823
  119   2HG   PRO  17          1HG       PRO  17  10.556   5.596  -7.281
  120   1HD   PRO  17          2HD       PRO  17   7.797   4.738  -7.733
  121   2HD   PRO  17          1HD       PRO  17   9.103   3.747  -7.072
  122    H    MET  18           H        MET  18   5.752   6.486  -4.504
  123    HA   MET  18           HA       MET  18   4.843   8.513  -6.490
  124   1HB   MET  18          2HB       MET  18   3.772   5.952  -5.717
  125   2HB   MET  18          1HB       MET  18   2.783   7.123  -6.576
  126   1HG   MET  18          2HG       MET  18   3.704   6.371  -8.562
  127   2HG   MET  18          1HG       MET  18   5.279   6.764  -7.919
  128   1HE   MET  18          3HE       MET  18   2.481   4.447  -7.716
  129   2HE   MET  18          2HE       MET  18   3.137   2.900  -7.183
  130   3HE   MET  18          1HE       MET  18   3.095   4.233  -6.063
  131    H    LYS  19           H        LYS  19   2.911   9.279  -5.986
  132    HA   LYS  19           HA       LYS  19   2.216   9.322  -3.038
  133   1HB   LYS  19          2HB       LYS  19   3.498  11.368  -3.662
  134   2HB   LYS  19          1HB       LYS  19   2.353  11.701  -4.943
  135   1HG   LYS  19          2HG       LYS  19   0.987  12.824  -3.534
  136   2HG   LYS  19          1HG       LYS  19   0.809  11.430  -2.507
  137   1HD   LYS  19          2HD       LYS  19   2.743  11.988  -1.195
  138   2HD   LYS  19          1HD       LYS  19   3.273  13.206  -2.328
  139   1HE   LYS  19          2HE       LYS  19   1.120  14.515  -1.782
  140   2HE   LYS  19          1HE       LYS  19   0.855  13.359  -0.484
  141   1HZ   LYS  19          2HZ       LYS  19   3.527  14.226  -0.311
  142   2HZ   LYS  19          1HZ       LYS  19   2.575  15.588  -0.541
  143   3HZ   LYS  19          3HZ       LYS  19   2.244  14.568   0.768
  144    H    CYS  20           H        CYS  20  -0.271   9.651  -2.732
  145    HA   CYS  20           HA       CYS  20  -1.565   8.639  -5.156
  146   1HB   CYS  20          2HB       CYS  20  -2.111   8.633  -2.347
  147   2HB   CYS  20          1HB       CYS  20  -3.359   9.642  -3.016
  148    H    ILE  21           H        ILE  21  -2.513  10.010  -6.636
  149    HA   ILE  21           HA       ILE  21  -2.342  12.909  -6.048
  150    HB   ILE  21           HB       ILE  21  -2.588  11.499  -8.724
  151   1HG1  ILE  21          2HG1      ILE  21  -0.557  10.587  -7.719
  152   2HG1  ILE  21          1HG1      ILE  21  -0.143  11.900  -8.836
  153   1HG2  ILE  21          3HG2      ILE  21  -1.546  14.294  -8.023
  154   2HG2  ILE  21          2HG2      ILE  21  -1.504  13.571  -9.614
  155   3HG2  ILE  21          1HG2      ILE  21  -3.037  13.946  -8.890
  156   1HD1  ILE  21          3HD1      ILE  21  -0.217  12.284  -5.870
  157   2HD1  ILE  21          2HD1      ILE  21   1.215  11.924  -6.831
  158   3HD1  ILE  21          1HD1      ILE  21   0.240  13.321  -7.206
  159    H    TYR  22           H        TYR  22  -3.835  14.214  -7.175
  160    HA   TYR  22           HA       TYR  22  -6.629  13.222  -7.012
  161   1HB   TYR  22          2HB       TYR  22  -5.439  15.960  -6.286
  162   2HB   TYR  22          1HB       TYR  22  -7.106  15.453  -5.982
  163    HD1  TYR  22           HD1      TYR  22  -7.558  13.646  -4.356
  164    HD2  TYR  22           HD2      TYR  22  -3.576  15.000  -4.951
  165    HE1  TYR  22           HE1      TYR  22  -6.839  12.414  -2.385
  166    HE2  TYR  22           HE2      TYR  22  -2.851  13.769  -2.983
  167    HH   TYR  22           HH       TYR  22  -5.009  11.526  -1.394
  168    H    ALA  23           H        ALA  23  -8.125  14.536  -8.371
  169    HA   ALA  23           HA       ALA  23  -6.866  15.744 -10.772
  170   1HB   ALA  23          3HB       ALA  23  -7.344  13.305 -11.249
  171   2HB   ALA  23          2HB       ALA  23  -9.023  13.549 -10.785
  172   3HB   ALA  23          1HB       ALA  23  -8.379  14.331 -12.218
  173    H    TRP  24           H        TRP  24  -9.060  16.503 -12.091
  174    HA   TRP  24           HA       TRP  24 -10.175  18.703 -10.837
  175   1HB   TRP  24          2HB       TRP  24 -11.960  18.618 -12.480
  176   2HB   TRP  24          1HB       TRP  24 -10.541  17.975 -13.281
  177    HD1  TRP  24           HD1      TRP  24 -10.728  15.272 -14.015
  178    HE1  TRP  24           HE1      TRP  24 -12.607  13.616 -13.903
  179    HE3  TRP  24           HE3      TRP  24 -13.810  17.974 -11.152
  180    HZ2  TRP  24           HZ2      TRP  24 -15.136  13.475 -12.693
  181    HZ3  TRP  24           HZ3      TRP  24 -15.962  17.079 -10.494
  182    HH2  TRP  24           HH2      TRP  24 -16.663  14.797 -11.267
  183    H    TYR  25           H        TYR  25 -11.131  15.451 -10.433
  184    HA   TYR  25           HA       TYR  25 -13.558  15.496  -9.178
  185   1HB   TYR  25          2HB       TYR  25 -11.193  13.683  -9.032
  186   2HB   TYR  25          1HB       TYR  25 -12.239  13.551  -7.644
  187    HD1  TYR  25           HD1      TYR  25 -14.856  13.568  -8.257
  188    HD2  TYR  25           HD2      TYR  25 -11.755  12.300 -10.892
  189    HE1  TYR  25           HE1      TYR  25 -16.470  12.258  -9.502
  190    HE2  TYR  25           HE2      TYR  25 -13.389  10.978 -12.140
  191    HH   TYR  25           HH       TYR  25 -16.829  11.009 -11.401
  192    H    ASN  26           H        ASN  26 -14.101  15.025  -6.941
  193    HA   ASN  26           HA       ASN  26 -12.782  16.961  -5.087
  194   1HB   ASN  26          2HB       ASN  26 -15.154  17.477  -5.844
  195   2HB   ASN  26          1HB       ASN  26 -15.662  15.995  -5.040
  196   1HD2  ASN  26          2HD2      ASN  26 -15.172  19.261  -2.816
  197   2HD2  ASN  26          1HD2      ASN  26 -15.192  19.317  -4.513
  198    H    GLN  27           H        GLN  27 -11.352  15.415  -4.437
  199    HA   GLN  27           HA       GLN  27 -10.561  14.210  -2.554
  200   1HB   GLN  27          2HB       GLN  27 -13.362  12.944  -2.348
  201   2HB   GLN  27          1HB       GLN  27 -12.063  12.745  -1.208
  202   1HG   GLN  27          2HG       GLN  27 -12.114  15.014  -0.474
  203   2HG   GLN  27          1HG       GLN  27 -13.140  15.534  -1.792
  204   1HE2  GLN  27          2HE2      GLN  27 -16.062  14.796  -0.053
  205   2HE2  GLN  27          1HE2      GLN  27 -15.299  15.619  -1.338
  206    H    GLN  28           H        GLN  28 -10.424  11.801  -2.092
  207    HA   GLN  28           HA       GLN  28  -9.945   9.605  -2.714
  208   1HB   GLN  28          2HB       GLN  28 -11.095  10.364  -5.515
  209   2HB   GLN  28          1HB       GLN  28 -10.706   8.768  -4.958
  210   1HG   GLN  28          2HG       GLN  28 -12.523   8.611  -3.471
  211   2HG   GLN  28          1HG       GLN  28 -12.664  10.343  -3.250
  212   1HE2  GLN  28          2HE2      GLN  28 -15.450  10.112  -5.431
  213   2HE2  GLN  28          1HE2      GLN  28 -14.943  10.493  -3.855
  214    H    GLY  29           H        GLY  29  -8.052   8.688  -3.839
  215   1HA   GLY  29          2HA       GLY  29  -6.361  10.790  -5.115
  216   2HA   GLY  29          1HA       GLY  29  -5.694   9.773  -3.860
  217    H    SER  30           H        SER  30  -4.049   9.070  -5.392
  218    HA   SER  30           HA       SER  30  -4.458   6.575  -6.560
  219   1HB   SER  30          2HB       SER  30  -5.920   7.582  -8.271
  220   2HB   SER  30          1HB       SER  30  -4.661   8.782  -8.647
  221    HG   SER  30           HG       SER  30  -3.679   7.287  -9.810
  222    H    CYS  31           H        CYS  31  -2.466   5.963  -6.129
  223    HA   CYS  31           HA       CYS  31  -0.088   7.168  -5.904
  224   1HB   CYS  31          2HB       CYS  31  -0.798   4.542  -7.076
  225   2HB   CYS  31          1HB       CYS  31   0.856   4.998  -6.903
  226    H    GLN  32           H        GLN  32   0.686   8.893  -7.387
  227    HA   GLN  32           HA       GLN  32   1.334   7.857 -10.126
  228   1HB   GLN  32          2HB       GLN  32   1.073  10.784  -9.617
  229   2HB   GLN  32          1HB       GLN  32   1.063   9.952 -11.124
  230   1HG   GLN  32          2HG       GLN  32  -1.303   9.699  -9.248
  231   2HG   GLN  32          1HG       GLN  32  -1.235  10.826 -10.561
  232   1HE2  GLN  32          2HE2      GLN  32  -1.546   8.179 -12.948
  233   2HE2  GLN  32          1HE2      GLN  32  -0.648   9.617 -12.719
  234    H    THR  33           H        THR  33   3.381   8.598 -10.913
  235    HA   THR  33           HA       THR  33   4.988   8.733  -8.593
  236    HB   THR  33           HB       THR  33   6.654   9.155 -11.069
  237    HG1  THR  33           HG1      THR  33   5.502   8.156 -12.492
  238   1HG2  THR  33          3HG2      THR  33   7.032   7.755  -9.116
  239   2HG2  THR  33          2HG2      THR  33   5.812   6.634  -9.760
  240   3HG2  THR  33          1HG2      THR  33   7.297   6.966 -10.671
  241    H    THR  34           H        THR  34   3.797  11.042  -8.303
  242    HA   THR  34           HA       THR  34   6.032  12.765  -8.787
  243    HB   THR  34           HB       THR  34   4.656  13.147 -10.911
  244    HG1  THR  34           HG1      THR  34   4.932  15.258 -10.694
  245   1HG2  THR  34          2HG2      THR  34   2.446  13.873  -8.903
  246   2HG2  THR  34          1HG2      THR  34   2.285  13.898 -10.658
  247   3HG2  THR  34          3HG2      THR  34   2.515  12.378  -9.813
  248    H    ILE  35           H        ILE  35   5.601  15.005  -8.146
  249    HA   ILE  35           HA       ILE  35   5.287  16.599  -6.503
  250    HB   ILE  35           HB       ILE  35   2.807  15.357  -6.393
  251   1HG1  ILE  35          2HG1      ILE  35   3.934  17.229  -4.231
  252   2HG1  ILE  35          1HG1      ILE  35   3.399  17.759  -5.807
  253   1HG2  ILE  35          3HG2      ILE  35   3.597  13.568  -4.711
  254   2HG2  ILE  35          2HG2      ILE  35   3.974  14.870  -3.615
  255   3HG2  ILE  35          1HG2      ILE  35   2.314  14.562  -4.124
  256   1HD1  ILE  35          2HD1      ILE  35   1.091  16.955  -5.309
  257   2HD1  ILE  35          1HD1      ILE  35   1.604  16.491  -3.691
  258   3HD1  ILE  35          3HD1      ILE  35   1.634  18.175  -4.169
  259    H    THR  36           H        THR  36   5.226  13.290  -5.412
  260    HA   THR  36           HA       THR  36   7.836  13.565  -4.051
  261    HB   THR  36           HB       THR  36   5.375  12.393  -2.591
  262    HG1  THR  36           HG1      THR  36   6.378  14.993  -2.918
  263   1HG2  THR  36          2HG2      THR  36   7.729  11.738  -1.806
  264   2HG2  THR  36          1HG2      THR  36   8.075  13.440  -1.559
  265   3HG2  THR  36          3HG2      THR  36   6.825  12.646  -0.609
  266    H    GLY  37           H        GLY  37   6.912  12.474  -6.499
  267   1HA   GLY  37          2HA       GLY  37   6.973   9.568  -5.931
  268   2HA   GLY  37          1HA       GLY  37   6.293  10.259  -7.382
  269    H    LEU  38           H        LEU  38   9.212  11.096  -5.867
  270    HA   LEU  38           HA       LEU  38  10.915   9.533  -7.651
  271   1HB   LEU  38          2HB       LEU  38  10.274  11.280  -9.194
  272   2HB   LEU  38          1HB       LEU  38  10.603  12.538  -8.040
  273    HG   LEU  38           HG       LEU  38  13.092  11.908  -8.179
  274   1HD1  LEU  38          1HD1      LEU  38  12.116   9.933 -10.310
  275   2HD1  LEU  38          3HD1      LEU  38  13.794  10.263  -9.926
  276   3HD1  LEU  38          2HD1      LEU  38  12.773   9.475  -8.748
  277   1HD2  LEU  38          2HD2      LEU  38  12.166  13.635  -9.725
  278   2HD2  LEU  38          1HD2      LEU  38  13.453  12.721 -10.488
  279   3HD2  LEU  38          3HD2      LEU  38  11.780  12.381 -10.887
  280    H    PHE  39           H        PHE  39  11.245  12.604  -6.030
  281    HA   PHE  39           HA       PHE  39  13.717  11.751  -4.619
  282   1HB   PHE  39          2HB       PHE  39  13.594  14.322  -3.952
  283   2HB   PHE  39          1HB       PHE  39  13.976  13.938  -5.623
  284    HD1  PHE  39           HD2      PHE  39  11.294  15.146  -3.346
  285    HD2  PHE  39           HD1      PHE  39  12.321  14.273  -7.394
  286    HE1  PHE  39           HE2      PHE  39   9.268  16.288  -4.116
  287    HE2  PHE  39           HE1      PHE  39  10.286  15.413  -8.152
  288    HZ   PHE  39           HZ       PHE  39   8.757  16.427  -6.509
  289    H    LYS  40           H        LYS  40  11.880  10.302  -3.709
  290    HA   LYS  40           HA       LYS  40  10.728  11.612  -1.276
  291   1HB   LYS  40          2HB       LYS  40   9.061  10.481  -2.789
  292   2HB   LYS  40          1HB       LYS  40   9.940   8.981  -2.641
  293   1HG   LYS  40          2HG       LYS  40   9.498   8.884  -0.224
  294   2HG   LYS  40          1HG       LYS  40   8.636  10.413  -0.263
  295   1HD   LYS  40          2HD       LYS  40   6.905   9.354  -1.695
  296   2HD   LYS  40          1HD       LYS  40   7.786   7.842  -1.698
  297   1HE   LYS  40          2HE       LYS  40   6.607   9.265   0.768
  298   2HE   LYS  40          1HE       LYS  40   6.057   7.745   0.073
  299   1HZ   LYS  40          2HZ       LYS  40   8.771   7.422   0.585
  300   2HZ   LYS  40          1HZ       LYS  40   8.197   8.109   1.976
  301   3HZ   LYS  40          3HZ       LYS  40   7.519   6.685   1.378
  302    H    LYS  41           H        LYS  41  10.582  10.359   0.584
  303    HA   LYS  41           HA       LYS  41  12.960   8.647   1.168
  304   1HB   LYS  41          2HB       LYS  41  11.297  10.363   3.119
  305   2HB   LYS  41          1HB       LYS  41  12.811   9.576   3.470
  306   1HG   LYS  41          2HG       LYS  41  12.540  11.787   1.357
  307   2HG   LYS  41          1HG       LYS  41  12.913  12.132   3.022
  308   1HD   LYS  41          2HD       LYS  41  14.611  10.178   1.423
  309   2HD   LYS  41          1HD       LYS  41  14.864  11.906   1.282
  310   1HE   LYS  41          2HE       LYS  41  15.215  12.072   3.762
  311   2HE   LYS  41          1HE       LYS  41  14.969  10.341   3.920
  312   1HZ   LYS  41          3HZ       LYS  41  16.919  10.742   1.957
  313   2HZ   LYS  41          2HZ       LYS  41  17.354  11.704   3.290
  314   3HZ   LYS  41          1HZ       LYS  41  17.109  10.036   3.480
  315    H    CYS  42           H        CYS  42  11.957   6.625   0.813
  316    HA   CYS  42           HA       CYS  42   9.451   6.082   2.332
  317   1HB   CYS  42          2HB       CYS  42   9.745   6.165  -0.541
  318   2HB   CYS  42          1HB       CYS  42   9.973   4.506  -0.146
   
  No H/Q in entry =         318
  Start of MODEL   17
    1   1H    CYS   1          2H        CYS   1   0.542  -0.680   0.489
    2   2H    CYS   1          1H        CYS   1   2.013  -1.137   1.174
    3   3H    CYS   1          3H        CYS   1   1.582   0.495   1.030
    4    HA   CYS   1           HA       CYS   1   2.646   0.543  -0.963
    5   1HB   CYS   1          2HB       CYS   1   3.121  -2.219  -0.235
    6   2HB   CYS   1          1HB       CYS   1   2.995  -1.964  -1.960
    7    H    ALA   2           H        ALA   2   1.306   1.099  -2.714
    8    HA   ALA   2           HA       ALA   2  -0.565  -0.931  -3.827
    9   1HB   ALA   2          2HB       ALA   2  -1.926   0.822  -2.575
   10   2HB   ALA   2          1HB       ALA   2  -1.188   2.075  -3.557
   11   3HB   ALA   2          3HB       ALA   2  -2.208   0.865  -4.301
   12    H    LYS   3           H        LYS   3  -1.029  -0.313  -6.132
   13    HA   LYS   3           HA       LYS   3   1.367   1.031  -7.316
   14   1HB   LYS   3          2HB       LYS   3  -0.301  -1.265  -8.407
   15   2HB   LYS   3          1HB       LYS   3   0.977  -0.500  -9.309
   16   1HG   LYS   3          2HG       LYS   3   1.301  -1.924  -6.630
   17   2HG   LYS   3          1HG       LYS   3   1.740  -2.630  -8.158
   18   1HD   LYS   3          2HD       LYS   3   3.137  -0.110  -8.119
   19   2HD   LYS   3          1HD       LYS   3   3.171  -0.646  -6.454
   20   1HE   LYS   3          2HE       LYS   3   5.153  -1.461  -7.728
   21   2HE   LYS   3          1HE       LYS   3   4.192  -2.786  -7.100
   22   1HZ   LYS   3          1HZ       LYS   3   3.139  -2.059  -9.603
   23   2HZ   LYS   3          3HZ       LYS   3   4.812  -2.187  -9.789
   24   3HZ   LYS   3          2HZ       LYS   3   3.924  -3.510  -9.213
   25    H    LYS   4           H        LYS   4   1.078   2.204  -9.256
   26    HA   LYS   4           HA       LYS   4  -1.193   3.850  -9.169
   27   1HB   LYS   4          2HB       LYS   4  -0.366   4.781 -11.348
   28   2HB   LYS   4          1HB       LYS   4   0.971   4.524 -10.253
   29   1HG   LYS   4          2HG       LYS   4   1.466   2.306 -11.348
   30   2HG   LYS   4          1HG       LYS   4   0.182   2.560 -12.497
   31   1HD   LYS   4          2HD       LYS   4   2.700   4.244 -12.222
   32   2HD   LYS   4          1HD       LYS   4   2.410   3.034 -13.454
   33   1HE   LYS   4          2HE       LYS   4   0.362   4.497 -14.171
   34   2HE   LYS   4          1HE       LYS   4   1.011   5.729 -13.101
   35   1HZ   LYS   4          3HZ       LYS   4   3.122   4.793 -14.729
   36   2HZ   LYS   4          2HZ       LYS   4   1.807   5.186 -15.736
   37   3HZ   LYS   4          1HZ       LYS   4   2.422   6.340 -14.669
   38    H    ARG   5           H        ARG   5  -3.058   3.755 -10.356
   39    HA   ARG   5           HA       ARG   5  -4.430   3.076 -12.263
   40   1HB   ARG   5          2HB       ARG   5  -2.928   0.958 -12.755
   41   2HB   ARG   5          1HB       ARG   5  -3.773   0.180 -11.434
   42   1HG   ARG   5          2HG       ARG   5  -4.729  -0.353 -13.712
   43   2HG   ARG   5          1HG       ARG   5  -5.909   0.417 -12.666
   44   1HD   ARG   5          2HD       ARG   5  -5.649   2.562 -13.766
   45   2HD   ARG   5          1HD       ARG   5  -4.168   2.047 -14.577
   46    HE   ARG   5           HE       ARG   5  -6.830   0.805 -15.233
   47   1HH1  ARG   5          2HH1      ARG   5  -5.049  -0.372 -16.888
   48   2HH1  ARG   5          1HH1      ARG   5  -4.794   0.649 -18.249
   49   1HH2  ARG   5          1HH2      ARG   5  -5.994   3.435 -16.361
   50   2HH2  ARG   5          2HH2      ARG   5  -5.373   3.025 -17.926
   51    H    ASN   6           H        ASN   6  -4.051   1.462  -9.179
   52    HA   ASN   6           HA       ASN   6  -7.006   1.800  -8.529
   53   1HB   ASN   6          2HB       ASN   6  -5.414  -0.622  -8.270
   54   2HB   ASN   6          1HB       ASN   6  -5.202   0.191  -6.725
   55   1HD2  ASN   6          2HD2      ASN   6  -8.482  -1.873  -6.966
   56   2HD2  ASN   6          1HD2      ASN   6  -6.961  -2.283  -7.601
   57    H    TRP   7           H        TRP   7  -7.282   3.102  -6.730
   58    HA   TRP   7           HA       TRP   7  -4.714   4.491  -6.208
   59   1HB   TRP   7          2HB       TRP   7  -5.982   6.334  -5.588
   60   2HB   TRP   7          1HB       TRP   7  -6.428   5.814  -7.210
   61    HD1  TRP   7           HD1      TRP   7  -7.910   4.841  -3.825
   62    HE1  TRP   7           HE1      TRP   7 -10.315   5.659  -3.719
   63    HE3  TRP   7           HE3      TRP   7  -8.156   6.857  -8.383
   64    HZ2  TRP   7           HZ2      TRP   7 -12.051   6.856  -5.358
   65    HZ3  TRP   7           HZ3      TRP   7 -10.309   7.860  -9.155
   66    HH2  TRP   7           HH2      TRP   7 -12.267   7.861  -7.644
   67    H    CYS   8           H        CYS   8  -4.616   5.650  -4.470
   68    HA   CYS   8           HA       CYS   8  -4.632   4.060  -2.012
   69   1HB   CYS   8          2HB       CYS   8  -3.040   6.168  -1.592
   70   2HB   CYS   8          1HB       CYS   8  -2.531   4.835  -2.571
   71    H    GLY   9           H        GLY   9  -5.680   7.123  -3.313
   72   1HA   GLY   9          2HA       GLY   9  -7.707   8.293  -2.660
   73   2HA   GLY   9          1HA       GLY   9  -7.715   7.400  -1.126
   74    H    LYS  10           H        LYS  10  -5.231   7.544  -0.347
   75    HA   LYS  10           HA       LYS  10  -4.165  10.286  -0.235
   76   1HB   LYS  10          2HB       LYS  10  -5.529  10.296   1.849
   77   2HB   LYS  10          1HB       LYS  10  -5.346   8.563   2.060
   78   1HG   LYS  10          2HG       LYS  10  -2.891   8.920   2.576
   79   2HG   LYS  10          1HG       LYS  10  -3.137  10.629   2.592
   80   1HD   LYS  10          2HD       LYS  10  -4.471   8.495   4.311
   81   2HD   LYS  10          1HD       LYS  10  -3.089   9.469   4.770
   82   1HE   LYS  10          2HE       LYS  10  -4.475  11.493   4.802
   83   2HE   LYS  10          1HE       LYS  10  -5.860  10.579   4.209
   84   1HZ   LYS  10          2HZ       LYS  10  -4.859   9.215   6.449
   85   2HZ   LYS  10          1HZ       LYS  10  -4.962  10.816   6.900
   86   3HZ   LYS  10          3HZ       LYS  10  -6.334  10.000   6.317
   87    H    ASN  11           H        ASN  11  -2.097  10.365   0.484
   88    HA   ASN  11           HA       ASN  11  -0.675   8.071  -0.573
   89   1HB   ASN  11          2HB       ASN  11   0.127  10.502  -0.857
   90   2HB   ASN  11          1HB       ASN  11   0.626  10.430   0.836
   91   1HD2  ASN  11          2HD2      ASN  11   3.616   8.894  -0.313
   92   2HD2  ASN  11          1HD2      ASN  11   2.951  10.117   0.683
   93    H    GLU  12           H        GLU  12  -2.021   7.213   1.594
   94    HA   GLU  12           HA       GLU  12  -0.126   7.008   3.874
   95   1HB   GLU  12          2HB       GLU  12  -3.049   7.006   3.633
   96   2HB   GLU  12          1HB       GLU  12  -2.554   5.493   4.329
   97   1HG   GLU  12          2HG       GLU  12  -1.410   6.529   6.180
   98   2HG   GLU  12          1HG       GLU  12  -1.496   8.116   5.440
   99    H    ASP  13           H        ASP  13  -2.038   4.785   1.714
  100    HA   ASP  13           HA       ASP  13   0.121   2.778   2.309
  101   1HB   ASP  13          2HB       ASP  13  -2.400   2.395   3.152
  102   2HB   ASP  13          1HB       ASP  13  -2.612   1.801   1.503
  103    H    CYS  14           H        CYS  14   0.977   4.056   0.439
  104    HA   CYS  14           HA       CYS  14   0.333   2.747  -2.195
  105   1HB   CYS  14          2HB       CYS  14   1.402   5.510  -1.451
  106   2HB   CYS  14          1HB       CYS  14   1.980   4.792  -2.909
  107    H    CYS  15           H        CYS  15   2.299   2.450  -3.514
  108    HA   CYS  15           HA       CYS  15   4.466   1.463  -1.682
  109   1HB   CYS  15          2HB       CYS  15   3.109   0.038  -3.599
  110   2HB   CYS  15          1HB       CYS  15   4.308   0.787  -4.598
  111    H    CYS  16           H        CYS  16   5.967   2.817  -1.561
  112    HA   CYS  16           HA       CYS  16   6.211   5.182  -3.100
  113   1HB   CYS  16          2HB       CYS  16   8.398   5.326  -1.912
  114   2HB   CYS  16          1HB       CYS  16   7.009   5.100  -0.888
  115    HA   PRO  17           HA       PRO  17   7.678   6.577  -3.425
  116   1HB   PRO  17          2HB       PRO  17   9.107   8.099  -4.937
  117   2HB   PRO  17          1HB       PRO  17   9.944   6.826  -4.009
  118   1HG   PRO  17          2HG       PRO  17   9.106   6.787  -6.969
  119   2HG   PRO  17          1HG       PRO  17  10.652   6.282  -6.286
  120   1HD   PRO  17          2HD       PRO  17   8.451   4.531  -6.765
  121   2HD   PRO  17          1HD       PRO  17   9.812   4.141  -5.702
  122    H    MET  18           H        MET  18   5.571   6.905  -3.690
  123    HA   MET  18           HA       MET  18   4.536   8.126  -6.192
  124   1HB   MET  18          2HB       MET  18   4.398   5.471  -5.806
  125   2HB   MET  18          1HB       MET  18   2.976   5.963  -4.916
  126   1HG   MET  18          2HG       MET  18   2.079   7.083  -6.847
  127   2HG   MET  18          1HG       MET  18   3.516   6.687  -7.791
  128   1HE   MET  18          1HE       MET  18   2.877   3.944  -5.618
  129   2HE   MET  18          3HE       MET  18   2.684   2.710  -6.829
  130   3HE   MET  18          2HE       MET  18   4.067   3.805  -6.929
  131    H    LYS  19           H        LYS  19   2.743   9.305  -5.770
  132    HA   LYS  19           HA       LYS  19   2.034   9.537  -2.848
  133   1HB   LYS  19          2HB       LYS  19   3.397  11.605  -3.643
  134   2HB   LYS  19          1HB       LYS  19   2.037  11.976  -4.694
  135   1HG   LYS  19          2HG       LYS  19   0.471  11.793  -2.664
  136   2HG   LYS  19          1HG       LYS  19   1.894  11.572  -1.660
  137   1HD   LYS  19          2HD       LYS  19   2.554  13.841  -1.919
  138   2HD   LYS  19          1HD       LYS  19   1.468  14.059  -3.279
  139   1HE   LYS  19          2HE       LYS  19   0.439  13.420  -0.478
  140   2HE   LYS  19          1HE       LYS  19   0.549  15.036  -1.159
  141   1HZ   LYS  19          3HZ       LYS  19  -0.686  13.418  -3.101
  142   2HZ   LYS  19          2HZ       LYS  19  -1.494  13.080  -1.704
  143   3HZ   LYS  19          1HZ       LYS  19  -1.375  14.678  -2.233
  144    H    CYS  20           H        CYS  20  -0.397   9.989  -2.520
  145    HA   CYS  20           HA       CYS  20  -1.756   9.138  -4.924
  146   1HB   CYS  20          2HB       CYS  20  -2.227   8.960  -2.218
  147   2HB   CYS  20          1HB       CYS  20  -3.158  10.396  -2.518
  148    H    ILE  21           H        ILE  21  -2.370  10.513  -6.366
  149    HA   ILE  21           HA       ILE  21  -2.006  13.444  -6.190
  150    HB   ILE  21           HB       ILE  21  -2.595  11.714  -8.642
  151   1HG1  ILE  21          2HG1      ILE  21  -0.493  10.848  -7.961
  152   2HG1  ILE  21          1HG1      ILE  21  -0.262  11.923  -9.348
  153   1HG2  ILE  21          2HG2      ILE  21  -1.428  14.507  -8.537
  154   2HG2  ILE  21          1HG2      ILE  21  -1.619  13.537  -9.984
  155   3HG2  ILE  21          3HG2      ILE  21  -3.033  14.049  -9.113
  156   1HD1  ILE  21          2HD1      ILE  21   0.561  13.705  -7.850
  157   2HD1  ILE  21          1HD1      ILE  21   0.219  12.583  -6.542
  158   3HD1  ILE  21          3HD1      ILE  21   1.502  12.224  -7.646
  159    H    TYR  22           H        TYR  22  -3.823  14.492  -7.500
  160    HA   TYR  22           HA       TYR  22  -6.382  13.056  -7.043
  161   1HB   TYR  22          2HB       TYR  22  -5.407  15.814  -6.292
  162   2HB   TYR  22          1HB       TYR  22  -7.127  15.373  -6.135
  163    HD1  TYR  22           HD2      TYR  22  -7.737  13.480  -4.588
  164    HD2  TYR  22           HD1      TYR  22  -3.741  14.964  -4.811
  165    HE1  TYR  22           HE2      TYR  22  -7.158  12.225  -2.572
  166    HE2  TYR  22           HE1      TYR  22  -3.199  13.694  -2.785
  167    HH   TYR  22           HH       TYR  22  -5.519  11.659  -1.240
  168    H    ALA  23           H        ALA  23  -8.157  14.077  -8.297
  169    HA   ALA  23           HA       ALA  23  -7.116  15.055 -10.937
  170   1HB   ALA  23          2HB       ALA  23  -8.223  12.763 -11.011
  171   2HB   ALA  23          1HB       ALA  23  -9.679  13.464 -10.324
  172   3HB   ALA  23          3HB       ALA  23  -9.139  13.947 -11.926
  173    H    TRP  24           H        TRP  24  -9.125  16.300 -11.968
  174    HA   TRP  24           HA       TRP  24  -9.535  18.722 -10.682
  175   1HB   TRP  24          2HB       TRP  24 -11.288  19.146 -12.236
  176   2HB   TRP  24          1HB       TRP  24 -10.316  17.952 -13.069
  177    HD1  TRP  24           HD1      TRP  24 -11.536  15.433 -13.395
  178    HE1  TRP  24           HE1      TRP  24 -13.890  14.655 -13.000
  179    HE3  TRP  24           HE3      TRP  24 -13.155  19.425 -10.836
  180    HZ2  TRP  24           HZ2      TRP  24 -16.185  15.633 -11.749
  181    HZ3  TRP  24           HZ3      TRP  24 -15.451  19.496 -10.020
  182    HH2  TRP  24           HH2      TRP  24 -17.001  17.588 -10.475
  183    H    TYR  25           H        TYR  25 -11.203  15.806 -10.063
  184    HA   TYR  25           HA       TYR  25 -13.404  16.648  -8.566
  185   1HB   TYR  25          2HB       TYR  25 -11.845  14.123  -8.794
  186   2HB   TYR  25          1HB       TYR  25 -12.685  14.251  -7.275
  187    HD1  TYR  25           HD2      TYR  25 -15.180  15.219  -7.496
  188    HD2  TYR  25           HD1      TYR  25 -13.061  13.215 -10.599
  189    HE1  TYR  25           HE2      TYR  25 -17.281  14.679  -8.535
  190    HE2  TYR  25           HE1      TYR  25 -15.196  12.662 -11.658
  191    HH   TYR  25           HH       TYR  25 -18.160  12.940 -10.153
  192    H    ASN  26           H        ASN  26 -13.722  15.965  -6.230
  193    HA   ASN  26           HA       ASN  26 -11.527  17.003  -4.497
  194   1HB   ASN  26          2HB       ASN  26 -13.299  18.739  -5.197
  195   2HB   ASN  26          1HB       ASN  26 -14.423  17.837  -4.186
  196   1HD2  ASN  26          2HD2      ASN  26 -12.809  18.847  -1.130
  197   2HD2  ASN  26          1HD2      ASN  26 -13.810  17.652  -1.821
  198    H    GLN  27           H        GLN  27 -12.004  14.316  -4.691
  199    HA   GLN  27           HA       GLN  27 -13.118  13.721  -1.993
  200   1HB   GLN  27          2HB       GLN  27 -14.018  12.409  -4.594
  201   2HB   GLN  27          1HB       GLN  27 -14.136  11.556  -3.070
  202   1HG   GLN  27          2HG       GLN  27 -15.549  13.505  -2.198
  203   2HG   GLN  27          1HG       GLN  27 -15.550  14.144  -3.839
  204   1HE2  GLN  27          2HE2      GLN  27 -18.169  11.930  -4.712
  205   2HE2  GLN  27          1HE2      GLN  27 -17.438  13.446  -4.954
  206    H    GLN  28           H        GLN  28 -12.054  11.584  -4.614
  207    HA   GLN  28           HA       GLN  28  -9.957  10.549  -2.757
  208   1HB   GLN  28          2HB       GLN  28 -10.959   9.195  -5.271
  209   2HB   GLN  28          1HB       GLN  28 -10.105   8.453  -3.934
  210   1HG   GLN  28          2HG       GLN  28 -12.239   7.798  -3.254
  211   2HG   GLN  28          1HG       GLN  28 -12.334   9.423  -2.607
  212   1HE2  GLN  28          2HE2      GLN  28 -15.001   8.562  -5.305
  213   2HE2  GLN  28          1HE2      GLN  28 -14.269   7.438  -4.262
  214    H    GLY  29           H        GLY  29  -8.227   9.369  -4.325
  215   1HA   GLY  29          2HA       GLY  29  -7.401  11.191  -6.514
  216   2HA   GLY  29          1HA       GLY  29  -6.338  11.123  -5.095
  217    H    SER  30           H        SER  30  -5.058  10.225  -7.342
  218    HA   SER  30           HA       SER  30  -5.241   7.289  -7.027
  219   1HB   SER  30          2HB       SER  30  -4.580   7.225  -9.562
  220   2HB   SER  30          1HB       SER  30  -6.197   7.875  -9.274
  221    HG   SER  30           HG       SER  30  -4.217   9.110 -10.419
  222    H    CYS  31           H        CYS  31  -3.304   6.119  -7.156
  223    HA   CYS  31           HA       CYS  31  -1.083   7.667  -6.096
  224   1HB   CYS  31          2HB       CYS  31  -1.824   5.077  -5.707
  225   2HB   CYS  31          1HB       CYS  31  -0.729   4.849  -7.008
  226    H    GLN  32           H        GLN  32   0.425   8.681  -7.248
  227    HA   GLN  32           HA       GLN  32   1.255   7.451  -9.843
  228   1HB   GLN  32          2HB       GLN  32   0.864  10.437  -9.619
  229   2HB   GLN  32          1HB       GLN  32   1.111   9.520 -11.065
  230   1HG   GLN  32          2HG       GLN  32  -1.410   8.719  -9.703
  231   2HG   GLN  32          1HG       GLN  32  -1.416  10.361 -10.242
  232   1HE2  GLN  32          2HE2      GLN  32  -2.280   9.386 -13.458
  233   2HE2  GLN  32          1HE2      GLN  32  -2.529  10.433 -12.137
  234    H    THR  33           H        THR  33   3.270   7.996 -10.499
  235    HA   THR  33           HA       THR  33   4.859   8.378  -8.177
  236    HB   THR  33           HB       THR  33   6.457   8.344 -10.702
  237    HG1  THR  33           HG1      THR  33   5.219   7.172 -11.897
  238   1HG2  THR  33          3HG2      THR  33   5.690   6.275  -8.676
  239   2HG2  THR  33          2HG2      THR  33   7.026   6.150  -9.840
  240   3HG2  THR  33          1HG2      THR  33   7.037   7.418  -8.613
  241    H    THR  34           H        THR  34   3.759  10.661  -8.117
  242    HA   THR  34           HA       THR  34   5.945  12.313  -8.797
  243    HB   THR  34           HB       THR  34   4.593  12.414 -10.975
  244    HG1  THR  34           HG1      THR  34   3.800  14.827 -10.138
  245   1HG2  THR  34          2HG2      THR  34   2.415  11.845  -9.820
  246   2HG2  THR  34          1HG2      THR  34   2.375  13.466  -9.148
  247   3HG2  THR  34          3HG2      THR  34   2.256  13.227 -10.888
  248    H    ILE  35           H        ILE  35   5.732  14.501  -8.395
  249    HA   ILE  35           HA       ILE  35   5.604  16.257  -6.918
  250    HB   ILE  35           HB       ILE  35   2.981  15.352  -7.008
  251   1HG1  ILE  35          2HG1      ILE  35   2.412  17.303  -5.429
  252   2HG1  ILE  35          1HG1      ILE  35   4.128  17.479  -5.122
  253   1HG2  ILE  35          3HG2      ILE  35   3.261  13.785  -5.049
  254   2HG2  ILE  35          2HG2      ILE  35   3.727  15.145  -4.065
  255   3HG2  ILE  35          1HG2      ILE  35   2.125  15.077  -4.791
  256   1HD1  ILE  35          1HD1      ILE  35   2.791  17.684  -7.857
  257   2HD1  ILE  35          3HD1      ILE  35   3.365  19.030  -6.891
  258   3HD1  ILE  35          2HD1      ILE  35   4.513  17.895  -7.568
  259    H    THR  36           H        THR  36   5.032  13.096  -5.495
  260    HA   THR  36           HA       THR  36   7.463  13.408  -3.819
  261    HB   THR  36           HB       THR  36   4.770  12.457  -2.585
  262    HG1  THR  36           HG1      THR  36   5.919  14.944  -3.066
  263   1HG2  THR  36          3HG2      THR  36   7.377  13.471  -1.353
  264   2HG2  THR  36          2HG2      THR  36   5.994  12.829  -0.484
  265   3HG2  THR  36          1HG2      THR  36   6.976  11.763  -1.482
  266    H    GLY  37           H        GLY  37   6.843  12.134  -6.275
  267   1HA   GLY  37          2HA       GLY  37   6.874   9.268  -5.487
  268   2HA   GLY  37          1HA       GLY  37   6.286   9.842  -7.041
  269    H    LEU  38           H        LEU  38   9.002  11.216  -5.603
  270    HA   LEU  38           HA       LEU  38  10.909   9.491  -7.055
  271   1HB   LEU  38          2HB       LEU  38  10.172  10.987  -8.803
  272   2HB   LEU  38          1HB       LEU  38  10.368  12.392  -7.815
  273    HG   LEU  38           HG       LEU  38  12.181  11.876  -9.685
  274   1HD1  LEU  38          2HD1      LEU  38  12.817  13.469  -7.852
  275   2HD1  LEU  38          1HD1      LEU  38  13.379  12.126  -6.870
  276   3HD1  LEU  38          3HD1      LEU  38  14.171  12.497  -8.373
  277   1HD2  LEU  38          2HD2      LEU  38  12.311   9.430  -9.279
  278   2HD2  LEU  38          1HD2      LEU  38  13.896  10.163  -9.137
  279   3HD2  LEU  38          3HD2      LEU  38  13.022   9.698  -7.694
  280    H    PHE  39           H        PHE  39  10.970  12.807  -5.767
  281    HA   PHE  39           HA       PHE  39  13.349  12.053  -4.137
  282   1HB   PHE  39          2HB       PHE  39  13.440  14.531  -3.632
  283   2HB   PHE  39          1HB       PHE  39  13.453  14.246  -5.358
  284    HD1  PHE  39           HD1      PHE  39  11.242  14.506  -6.657
  285    HD2  PHE  39           HD2      PHE  39  11.697  15.795  -2.615
  286    HE1  PHE  39           HE1      PHE  39   9.244  15.903  -6.871
  287    HE2  PHE  39           HE2      PHE  39   9.704  17.205  -2.852
  288    HZ   PHE  39           HZ       PHE  39   8.477  17.257  -4.973
  289    H    LYS  40           H        LYS  40  11.365  10.696  -3.596
  290    HA   LYS  40           HA       LYS  40   9.615  11.638  -1.475
  291   1HB   LYS  40          2HB       LYS  40   8.596   9.961  -2.854
  292   2HB   LYS  40          1HB       LYS  40  10.084   9.069  -3.031
  293   1HG   LYS  40          2HG       LYS  40   8.510   7.813  -1.650
  294   2HG   LYS  40          1HG       LYS  40   9.930   8.244  -0.724
  295   1HD   LYS  40          2HD       LYS  40   8.366  10.390  -0.127
  296   2HD   LYS  40          1HD       LYS  40   7.114   9.208  -0.480
  297   1HE   LYS  40          2HE       LYS  40   8.277   7.623   1.165
  298   2HE   LYS  40          1HE       LYS  40   9.384   8.931   1.554
  299   1HZ   LYS  40          3HZ       LYS  40   6.713   9.859   1.637
  300   2HZ   LYS  40          2HZ       LYS  40   6.870   8.480   2.618
  301   3HZ   LYS  40          1HZ       LYS  40   7.878   9.811   2.896
  302    H    LYS  41           H        LYS  41  12.245   9.493  -1.898
  303    HA   LYS  41           HA       LYS  41  14.118   9.011  -0.564
  304   1HB   LYS  41          2HB       LYS  41  13.526  11.163   0.873
  305   2HB   LYS  41          1HB       LYS  41  12.597  10.068   1.882
  306   1HG   LYS  41          2HG       LYS  41  14.721   8.614   2.074
  307   2HG   LYS  41          1HG       LYS  41  15.575   9.985   1.389
  308   1HD   LYS  41          2HD       LYS  41  14.605  11.421   3.315
  309   2HD   LYS  41          1HD       LYS  41  13.868   9.966   3.934
  310   1HE   LYS  41          2HE       LYS  41  16.022  10.505   5.106
  311   2HE   LYS  41          1HE       LYS  41  15.995   8.896   4.392
  312   1HZ   LYS  41          2HZ       LYS  41  16.895  10.755   2.478
  313   2HZ   LYS  41          1HZ       LYS  41  17.818  10.955   3.877
  314   3HZ   LYS  41          3HZ       LYS  41  17.739   9.440   3.123
  315    H    CYS  42           H        CYS  42  12.735   7.020  -1.343
  316    HA   CYS  42           HA       CYS  42  12.167   5.395   1.065
  317   1HB   CYS  42          2HB       CYS  42  10.036   6.213  -0.626
  318   2HB   CYS  42          1HB       CYS  42  10.612   4.785  -1.417
   
  No H/Q in entry =         318
  Start of MODEL   18
    1   1H    CYS   1          2H        CYS   1   1.179  -0.352   0.221
    2   2H    CYS   1          1H        CYS   1   2.650  -0.841   0.938
    3   3H    CYS   1          3H        CYS   1   2.451   0.761   0.363
    4    HA   CYS   1           HA       CYS   1   3.210   0.188  -1.589
    5   1HB   CYS   1          2HB       CYS   1   4.596  -1.288  -0.661
    6   2HB   CYS   1          1HB       CYS   1   3.331  -2.515  -0.423
    7    H    ALA   2           H        ALA   2   1.460   0.706  -2.803
    8    HA   ALA   2           HA       ALA   2  -0.270  -1.475  -3.828
    9   1HB   ALA   2          1HB       ALA   2  -1.587   0.101  -2.311
   10   2HB   ALA   2          3HB       ALA   2  -1.071   1.450  -3.296
   11   3HB   ALA   2          2HB       ALA   2  -2.122   0.223  -3.972
   12    H    LYS   3           H        LYS   3  -1.062  -0.563  -6.086
   13    HA   LYS   3           HA       LYS   3   1.136   1.052  -7.277
   14   1HB   LYS   3          2HB       LYS   3   1.097  -0.533  -9.228
   15   2HB   LYS   3          1HB       LYS   3   1.683  -1.236  -7.731
   16   1HG   LYS   3          2HG       LYS   3  -0.698  -2.111  -7.332
   17   2HG   LYS   3          1HG       LYS   3  -1.125  -1.504  -8.922
   18   1HD   LYS   3          2HD       LYS   3   0.481  -2.971  -9.994
   19   2HD   LYS   3          1HD       LYS   3   1.140  -3.466  -8.432
   20   1HE   LYS   3          2HE       LYS   3  -1.088  -4.396  -7.793
   21   2HE   LYS   3          1HE       LYS   3  -1.729  -3.931  -9.361
   22   1HZ   LYS   3          1HZ       LYS   3   0.618  -5.448  -9.795
   23   2HZ   LYS   3          3HZ       LYS   3  -0.355  -6.257  -8.674
   24   3HZ   LYS   3          2HZ       LYS   3  -0.995  -5.836 -10.176
   25    H    LYS   4           H        LYS   4   0.712   2.335  -8.877
   26    HA   LYS   4           HA       LYS   4  -1.521   3.739  -9.147
   27   1HB   LYS   4          2HB       LYS   4  -0.798   4.299 -11.522
   28   2HB   LYS   4          1HB       LYS   4   0.435   4.468 -10.302
   29   1HG   LYS   4          2HG       LYS   4   1.553   2.453 -10.928
   30   2HG   LYS   4          1HG       LYS   4   0.253   1.947 -11.991
   31   1HD   LYS   4          2HD       LYS   4   0.719   3.898 -13.497
   32   2HD   LYS   4          1HD       LYS   4   1.885   4.514 -12.355
   33   1HE   LYS   4          2HE       LYS   4   3.041   3.353 -14.178
   34   2HE   LYS   4          1HE       LYS   4   3.319   2.539 -12.650
   35   1HZ   LYS   4          1HZ       LYS   4   1.001   1.474 -13.891
   36   2HZ   LYS   4          3HZ       LYS   4   2.303   1.425 -14.985
   37   3HZ   LYS   4          2HZ       LYS   4   2.450   0.695 -13.458
   38    H    ARG   5           H        ARG   5  -3.595   3.208  -9.840
   39    HA   ARG   5           HA       ARG   5  -4.960   2.359 -11.880
   40   1HB   ARG   5          2HB       ARG   5  -3.408   0.208 -12.117
   41   2HB   ARG   5          1HB       ARG   5  -4.153  -0.349 -10.639
   42   1HG   ARG   5          2HG       ARG   5  -5.452  -1.345 -12.335
   43   2HG   ARG   5          1HG       ARG   5  -6.416   0.074 -11.985
   44   1HD   ARG   5          2HD       ARG   5  -5.281   1.303 -13.879
   45   2HD   ARG   5          1HD       ARG   5  -4.352  -0.141 -14.258
   46    HE   ARG   5           HE       ARG   5  -7.324   0.132 -14.526
   47   1HH1  ARG   5          1HH2      ARG   5  -6.263  -2.532 -13.957
   48   2HH1  ARG   5          2HH2      ARG   5  -6.036  -3.272 -15.499
   49   1HH2  ARG   5          2HH1      ARG   5  -6.231  -0.043 -17.035
   50   2HH2  ARG   5          1HH1      ARG   5  -6.041  -1.705 -17.439
   51    H    ASN   6           H        ASN   6  -4.182   1.140  -8.718
   52    HA   ASN   6           HA       ASN   6  -7.036   1.450  -7.710
   53   1HB   ASN   6          2HB       ASN   6  -5.467  -0.898  -7.596
   54   2HB   ASN   6          1HB       ASN   6  -4.867  -0.042  -6.182
   55   1HD2  ASN   6          2HD2      ASN   6  -7.870  -0.568  -4.372
   56   2HD2  ASN   6          1HD2      ASN   6  -6.397   0.279  -4.381
   57    H    TRP   7           H        TRP   7  -7.121   2.924  -6.010
   58    HA   TRP   7           HA       TRP   7  -4.588   4.463  -5.823
   59   1HB   TRP   7          2HB       TRP   7  -5.979   6.346  -5.194
   60   2HB   TRP   7          1HB       TRP   7  -6.623   5.665  -6.675
   61    HD1  TRP   7           HD1      TRP   7  -7.354   4.674  -3.080
   62    HE1  TRP   7           HE1      TRP   7  -9.792   5.033  -2.565
   63    HE3  TRP   7           HE3      TRP   7  -8.717   6.481  -7.541
   64    HZ2  TRP   7           HZ2      TRP   7 -11.911   5.884  -3.831
   65    HZ3  TRP   7           HZ3      TRP   7 -11.107   7.053  -7.904
   66    HH2  TRP   7           HH2      TRP   7 -12.738   6.749  -6.050
   67    H    CYS   8           H        CYS   8  -4.605   5.750  -3.907
   68    HA   CYS   8           HA       CYS   8  -4.723   4.102  -1.399
   69   1HB   CYS   8          2HB       CYS   8  -2.781   5.795  -0.831
   70   2HB   CYS   8          1HB       CYS   8  -2.483   4.351  -1.749
   71    H    GLY   9           H        GLY   9  -5.870   6.881  -2.919
   72   1HA   GLY   9          2HA       GLY   9  -7.412   8.486  -2.104
   73   2HA   GLY   9          1HA       GLY   9  -7.267   7.768  -0.513
   74    H    LYS  10           H        LYS  10  -5.051   8.190   0.604
   75    HA   LYS  10           HA       LYS  10  -3.945  10.887  -0.190
   76   1HB   LYS  10          2HB       LYS  10  -3.759  11.541   2.116
   77   2HB   LYS  10          1HB       LYS  10  -5.346  10.797   2.047
   78   1HG   LYS  10          2HG       LYS  10  -4.706   8.945   3.267
   79   2HG   LYS  10          1HG       LYS  10  -3.080   8.902   2.632
   80   1HD   LYS  10          2HD       LYS  10  -2.540   9.526   4.743
   81   2HD   LYS  10          1HD       LYS  10  -2.658  11.065   3.953
   82   1HE   LYS  10          2HE       LYS  10  -3.959  11.140   6.073
   83   2HE   LYS  10          1HE       LYS  10  -5.104  11.153   4.727
   84   1HZ   LYS  10          1HZ       LYS  10  -4.458   8.475   5.279
   85   2HZ   LYS  10          3HZ       LYS  10  -4.886   9.171   6.757
   86   3HZ   LYS  10          2HZ       LYS  10  -5.922   9.159   5.417
   87    H    ASN  11           H        ASN  11  -3.106   8.206  -0.695
   88    HA   ASN  11           HA       ASN  11  -0.958   7.700  -1.521
   89   1HB   ASN  11          2HB       ASN  11  -0.070   9.953  -0.538
   90   2HB   ASN  11          1HB       ASN  11   0.313   9.061   0.918
   91   1HD2  ASN  11          2HD2      ASN  11   2.482   7.252  -1.855
   92   2HD2  ASN  11          1HD2      ASN  11   0.880   6.800  -1.477
   93    H    GLU  12           H        GLU  12  -1.684   7.760   1.797
   94    HA   GLU  12           HA       GLU  12  -0.700   6.300   3.538
   95   1HB   GLU  12          2HB       GLU  12  -3.182   4.932   2.411
   96   2HB   GLU  12          1HB       GLU  12  -2.528   4.738   4.014
   97   1HG   GLU  12          2HG       GLU  12  -2.826   7.315   4.245
   98   2HG   GLU  12          1HG       GLU  12  -3.806   7.100   2.770
   99    H    ASP  13           H        ASP  13  -1.922   3.921   1.283
  100    HA   ASP  13           HA       ASP  13   0.109   1.968   2.175
  101   1HB   ASP  13          2HB       ASP  13  -1.487   0.273   1.266
  102   2HB   ASP  13          1HB       ASP  13  -2.333   1.372   2.353
  103    H    CYS  14           H        CYS  14   0.596   4.046  -0.044
  104    HA   CYS  14           HA       CYS  14   0.754   2.322  -2.439
  105   1HB   CYS  14          2HB       CYS  14   0.404   4.890  -2.244
  106   2HB   CYS  14          1HB       CYS  14   2.157   4.968  -2.180
  107    H    CYS  15           H        CYS  15   2.676   2.174  -3.667
  108    HA   CYS  15           HA       CYS  15   5.010   1.263  -2.059
  109   1HB   CYS  15          2HB       CYS  15   3.459  -0.147  -3.922
  110   2HB   CYS  15          1HB       CYS  15   4.728   0.455  -4.906
  111    H    CYS  16           H        CYS  16   5.902   3.186  -1.941
  112    HA   CYS  16           HA       CYS  16   6.306   5.286  -3.669
  113   1HB   CYS  16          2HB       CYS  16   8.480   5.685  -2.600
  114   2HB   CYS  16          1HB       CYS  16   7.201   5.362  -1.475
  115    HA   PRO  17           HA       PRO  17   7.724   6.715  -4.132
  116   1HB   PRO  17          2HB       PRO  17   8.963   8.232  -5.822
  117   2HB   PRO  17          1HB       PRO  17   9.906   6.960  -5.012
  118   1HG   PRO  17          2HG       PRO  17   8.641   6.819  -7.810
  119   2HG   PRO  17          1HG       PRO  17  10.309   6.455  -7.385
  120   1HD   PRO  17          2HD       PRO  17   8.241   4.510  -7.422
  121   2HD   PRO  17          1HD       PRO  17   9.751   4.310  -6.520
  122    H    MET  18           H        MET  18   5.670   7.012  -4.116
  123    HA   MET  18           HA       MET  18   4.346   8.136  -6.442
  124   1HB   MET  18          2HB       MET  18   4.416   5.786  -6.879
  125   2HB   MET  18          1HB       MET  18   3.760   5.427  -5.295
  126   1HG   MET  18          2HG       MET  18   1.658   5.916  -5.916
  127   2HG   MET  18          1HG       MET  18   2.135   7.124  -7.046
  128   1HE   MET  18          1HE       MET  18   2.819   3.748  -6.068
  129   2HE   MET  18          3HE       MET  18   2.700   2.689  -7.438
  130   3HE   MET  18          2HE       MET  18   4.115   3.755  -7.259
  131    H    LYS  19           H        LYS  19   2.708   9.299  -5.900
  132    HA   LYS  19           HA       LYS  19   1.875   9.260  -2.996
  133   1HB   LYS  19          2HB       LYS  19   3.381  11.197  -3.910
  134   2HB   LYS  19          1HB       LYS  19   1.957  11.703  -4.761
  135   1HG   LYS  19          2HG       LYS  19   1.948  11.392  -1.718
  136   2HG   LYS  19          1HG       LYS  19   2.393  12.898  -2.485
  137   1HD   LYS  19          2HD       LYS  19   0.181  12.822  -3.733
  138   2HD   LYS  19          1HD       LYS  19  -0.273  11.503  -2.680
  139   1HE   LYS  19          2HE       LYS  19  -0.216  12.806  -0.712
  140   2HE   LYS  19          1HE       LYS  19   0.342  14.225  -1.613
  141   1HZ   LYS  19          2HZ       LYS  19  -1.853  12.998  -2.934
  142   2HZ   LYS  19          1HZ       LYS  19  -2.373  13.321  -1.395
  143   3HZ   LYS  19          3HZ       LYS  19  -1.743  14.586  -2.325
  144    H    CYS  20           H        CYS  20  -0.586   9.737  -2.721
  145    HA   CYS  20           HA       CYS  20  -1.910   8.804  -5.124
  146   1HB   CYS  20          2HB       CYS  20  -2.452   9.134  -2.368
  147   2HB   CYS  20          1HB       CYS  20  -3.715   9.962  -3.178
  148    H    ILE  21           H        ILE  21  -2.959   9.970  -6.563
  149    HA   ILE  21           HA       ILE  21  -2.652  12.928  -6.634
  150    HB   ILE  21           HB       ILE  21  -3.336  10.934  -8.833
  151   1HG1  ILE  21          2HG1      ILE  21  -1.184  10.509  -8.042
  152   2HG1  ILE  21          1HG1      ILE  21  -1.228  11.234  -9.660
  153   1HG2  ILE  21          2HG2      ILE  21  -2.515  13.825  -9.081
  154   2HG2  ILE  21          1HG2      ILE  21  -2.688  12.663 -10.389
  155   3HG2  ILE  21          3HG2      ILE  21  -4.102  13.138  -9.488
  156   1HD1  ILE  21          2HD1      ILE  21  -0.407  13.367  -8.775
  157   2HD1  ILE  21          1HD1      ILE  21  -0.374  12.697  -7.161
  158   3HD1  ILE  21          3HD1      ILE  21   0.656  12.035  -8.345
  159    H    TYR  22           H        TYR  22  -4.501  13.980  -7.789
  160    HA   TYR  22           HA       TYR  22  -7.124  12.781  -6.994
  161   1HB   TYR  22          2HB       TYR  22  -6.107  15.661  -6.655
  162   2HB   TYR  22          1HB       TYR  22  -7.701  15.079  -6.118
  163    HD1  TYR  22           HD1      TYR  22  -7.753  13.303  -4.255
  164    HD2  TYR  22           HD2      TYR  22  -4.137  15.067  -5.592
  165    HE1  TYR  22           HE1      TYR  22  -6.581  12.281  -2.377
  166    HE2  TYR  22           HE2      TYR  22  -2.972  14.093  -3.783
  167    HH   TYR  22           HH       TYR  22  -4.465  11.701  -1.755
  168    H    ALA  23           H        ALA  23  -5.904  15.546  -8.736
  169    HA   ALA  23           HA       ALA  23  -5.935  15.614 -11.250
  170   1HB   ALA  23          1HB       ALA  23  -8.941  15.084 -10.731
  171   2HB   ALA  23          3HB       ALA  23  -8.234  15.454 -12.306
  172   3HB   ALA  23          2HB       ALA  23  -7.859  13.946 -11.513
  173    H    TRP  24           H        TRP  24  -8.875  17.041 -11.218
  174    HA   TRP  24           HA       TRP  24  -7.808  19.591 -10.050
  175   1HB   TRP  24          2HB       TRP  24  -9.240  20.766 -11.663
  176   2HB   TRP  24          1HB       TRP  24  -8.520  19.465 -12.599
  177    HD1  TRP  24           HD1      TRP  24 -10.296  17.485 -13.445
  178    HE1  TRP  24           HE1      TRP  24 -12.778  17.206 -13.217
  179    HE3  TRP  24           HE3      TRP  24 -11.120  21.254 -10.228
  180    HZ2  TRP  24           HZ2      TRP  24 -14.846  18.433 -11.786
  181    HZ3  TRP  24           HZ3      TRP  24 -13.387  21.688  -9.423
  182    HH2  TRP  24           HH2      TRP  24 -15.277  20.272 -10.214
  183    H    TYR  25           H        TYR  25 -10.446  17.308 -10.126
  184    HA   TYR  25           HA       TYR  25 -12.176  18.760  -8.304
  185   1HB   TYR  25          2HB       TYR  25 -13.538  16.692  -8.273
  186   2HB   TYR  25          1HB       TYR  25 -13.040  16.985  -9.924
  187    HD1  TYR  25           HD1      TYR  25 -12.115  15.029  -6.853
  188    HD2  TYR  25           HD2      TYR  25 -11.761  15.325 -11.086
  189    HE1  TYR  25           HE1      TYR  25 -10.986  12.867  -6.907
  190    HE2  TYR  25           HE2      TYR  25 -10.646  13.153 -11.120
  191    HH   TYR  25           HH       TYR  25  -9.175  11.898  -9.240
  192    H    ASN  26           H        ASN  26 -12.637  17.536  -6.040
  193    HA   ASN  26           HA       ASN  26 -10.134  16.246  -5.057
  194   1HB   ASN  26          2HB       ASN  26 -10.157  18.761  -4.666
  195   2HB   ASN  26          1HB       ASN  26 -11.456  18.456  -3.498
  196   1HD2  ASN  26          2HD2      ASN  26  -7.681  17.549  -2.455
  197   2HD2  ASN  26          1HD2      ASN  26  -8.019  18.385  -3.898
  198    H    GLN  27           H        GLN  27 -11.161  14.314  -4.924
  199    HA   GLN  27           HA       GLN  27 -12.886  13.964  -2.527
  200   1HB   GLN  27          2HB       GLN  27 -13.474  12.827  -5.311
  201   2HB   GLN  27          1HB       GLN  27 -14.122  12.110  -3.852
  202   1HG   GLN  27          2HG       GLN  27 -15.080  14.444  -3.294
  203   2HG   GLN  27          1HG       GLN  27 -14.693  14.882  -4.953
  204   1HE2  GLN  27          2HE2      GLN  27 -17.607  13.233  -6.091
  205   2HE2  GLN  27          1HE2      GLN  27 -16.466  14.468  -6.353
  206    H    GLN  28           H        GLN  28 -11.481  11.952  -5.083
  207    HA   GLN  28           HA       GLN  28 -10.242  10.303  -2.944
  208   1HB   GLN  28          2HB       GLN  28 -11.409   9.566  -5.682
  209   2HB   GLN  28          1HB       GLN  28 -10.452   8.448  -4.734
  210   1HG   GLN  28          2HG       GLN  28 -12.859   9.871  -3.492
  211   2HG   GLN  28          1HG       GLN  28 -13.046   8.361  -4.363
  212   1HE2  GLN  28          2HE2      GLN  28 -12.482   6.927  -1.176
  213   2HE2  GLN  28          1HE2      GLN  28 -13.659   7.301  -2.337
  214    H    GLY  29           H        GLY  29  -8.552   8.875  -3.748
  215   1HA   GLY  29          2HA       GLY  29  -6.472  10.658  -4.861
  216   2HA   GLY  29          1HA       GLY  29  -6.161   9.304  -3.835
  217    H    SER  30           H        SER  30  -4.512   8.716  -5.256
  218    HA   SER  30           HA       SER  30  -4.885   6.523  -6.875
  219   1HB   SER  30          2HB       SER  30  -6.101   7.677  -8.571
  220   2HB   SER  30          1HB       SER  30  -5.048   9.100  -8.489
  221    HG   SER  30           HG       SER  30  -3.389   7.868  -9.400
  222    H    CYS  31           H        CYS  31  -3.056   5.685  -6.331
  223    HA   CYS  31           HA       CYS  31  -0.611   6.757  -5.780
  224   1HB   CYS  31          2HB       CYS  31  -1.527   4.138  -6.919
  225   2HB   CYS  31          1HB       CYS  31   0.165   4.422  -6.932
  226    H    GLN  32           H        GLN  32   0.225   8.494  -7.244
  227    HA   GLN  32           HA       GLN  32   0.963   7.374  -9.915
  228   1HB   GLN  32          2HB       GLN  32  -0.956   9.172  -9.726
  229   2HB   GLN  32          1HB       GLN  32   0.427  10.181  -9.220
  230   1HG   GLN  32          2HG       GLN  32  -0.175  10.568 -11.571
  231   2HG   GLN  32          1HG       GLN  32   1.479  10.045 -11.306
  232   1HE2  GLN  32          2HE2      GLN  32  -1.234   7.569 -13.144
  233   2HE2  GLN  32          1HE2      GLN  32  -1.776   8.964 -12.345
  234    H    THR  33           H        THR  33   2.890   8.094 -10.685
  235    HA   THR  33           HA       THR  33   4.637   8.439  -8.473
  236    HB   THR  33           HB       THR  33   6.057   8.683 -11.102
  237    HG1  THR  33           HG1      THR  33   4.718   7.552 -12.258
  238   1HG2  THR  33          1HG2      THR  33   5.502   6.449  -9.183
  239   2HG2  THR  33          3HG2      THR  33   6.807   6.492 -10.392
  240   3HG2  THR  33          2HG2      THR  33   6.782   7.669  -9.078
  241    H    THR  34           H        THR  34   3.372  10.703  -8.280
  242    HA   THR  34           HA       THR  34   5.511  12.499  -8.859
  243    HB   THR  34           HB       THR  34   4.133  12.740 -11.002
  244    HG1  THR  34           HG1      THR  34   4.121  14.887 -10.862
  245   1HG2  THR  34          1HG2      THR  34   2.051  11.904  -9.877
  246   2HG2  THR  34          3HG2      THR  34   1.946  13.449  -9.022
  247   3HG2  THR  34          2HG2      THR  34   1.755  13.390 -10.776
  248    H    ILE  35           H        ILE  35   5.024  14.688  -8.293
  249    HA   ILE  35           HA       ILE  35   4.808  16.272  -6.650
  250    HB   ILE  35           HB       ILE  35   2.294  15.125  -6.866
  251   1HG1  ILE  35          2HG1      ILE  35   3.081  17.165  -4.703
  252   2HG1  ILE  35          1HG1      ILE  35   2.922  17.549  -6.399
  253   1HG2  ILE  35          1HG2      ILE  35   2.819  13.499  -4.988
  254   2HG2  ILE  35          3HG2      ILE  35   3.031  14.857  -3.928
  255   3HG2  ILE  35          2HG2      ILE  35   1.463  14.523  -4.650
  256   1HD1  ILE  35          3HD1      ILE  35   0.531  16.879  -6.377
  257   2HD1  ILE  35          2HD1      ILE  35   0.649  16.482  -4.666
  258   3HD1  ILE  35          1HD1      ILE  35   0.854  18.140  -5.199
  259    H    THR  36           H        THR  36   4.647  12.937  -5.454
  260    HA   THR  36           HA       THR  36   6.983  13.452  -3.692
  261    HB   THR  36           HB       THR  36   4.564  11.879  -2.541
  262    HG1  THR  36           HG1      THR  36   4.933  14.615  -2.991
  263   1HG2  THR  36          2HG2      THR  36   6.668  13.652  -1.252
  264   2HG2  THR  36          1HG2      THR  36   5.482  12.655  -0.422
  265   3HG2  THR  36          3HG2      THR  36   6.781  11.903  -1.337
  266    H    GLY  37           H        GLY  37   6.277  12.224  -6.258
  267   1HA   GLY  37          2HA       GLY  37   6.906   9.363  -5.757
  268   2HA   GLY  37          1HA       GLY  37   6.054   9.971  -7.181
  269    H    LEU  38           H        LEU  38   8.699  11.555  -5.856
  270    HA   LEU  38           HA       LEU  38  10.628  10.381  -7.781
  271   1HB   LEU  38          2HB       LEU  38   9.464  12.095  -9.074
  272   2HB   LEU  38          1HB       LEU  38   9.661  13.270  -7.831
  273    HG   LEU  38           HG       LEU  38  11.233  13.596  -9.830
  274   1HD1  LEU  38          2HD1      LEU  38  12.272  14.300  -7.670
  275   2HD1  LEU  38          1HD1      LEU  38  12.956  12.692  -7.464
  276   3HD1  LEU  38          3HD1      LEU  38  13.447  13.690  -8.802
  277   1HD2  LEU  38          1HD2      LEU  38  11.340  11.248 -10.557
  278   2HD2  LEU  38          3HD2      LEU  38  12.952  11.906 -10.383
  279   3HD2  LEU  38          2HD2      LEU  38  12.316  10.827  -9.158
  280    H    PHE  39           H        PHE  39  10.419  13.361  -5.859
  281    HA   PHE  39           HA       PHE  39  12.969  12.625  -4.489
  282   1HB   PHE  39          2HB       PHE  39  12.834  15.023  -3.625
  283   2HB   PHE  39          1HB       PHE  39  12.905  14.956  -5.375
  284    HD1  PHE  39           HD1      PHE  39  10.670  15.178  -6.689
  285    HD2  PHE  39           HD2      PHE  39  10.980  16.016  -2.517
  286    HE1  PHE  39           HE1      PHE  39   8.558  16.404  -6.774
  287    HE2  PHE  39           HE2      PHE  39   8.865  17.254  -2.623
  288    HZ   PHE  39           HZ       PHE  39   7.653  17.446  -4.742
  289    H    LYS  40           H        LYS  40  11.271  10.973  -3.891
  290    HA   LYS  40           HA       LYS  40   9.494  11.648  -1.681
  291   1HB   LYS  40          2HB       LYS  40   8.867   9.296  -1.744
  292   2HB   LYS  40          1HB       LYS  40   9.063   9.786  -3.396
  293   1HG   LYS  40          2HG       LYS  40  11.141   8.214  -1.778
  294   2HG   LYS  40          1HG       LYS  40  10.072   7.525  -2.942
  295   1HD   LYS  40          2HD       LYS  40  11.222   8.952  -4.713
  296   2HD   LYS  40          1HD       LYS  40  12.361   9.491  -3.484
  297   1HE   LYS  40          2HE       LYS  40  11.933   6.586  -4.342
  298   2HE   LYS  40          1HE       LYS  40  13.279   7.603  -4.820
  299   1HZ   LYS  40          3HZ       LYS  40  13.108   7.524  -1.949
  300   2HZ   LYS  40          2HZ       LYS  40  12.950   6.042  -2.473
  301   3HZ   LYS  40          1HZ       LYS  40  14.340   6.895  -2.922
  302    H    LYS  41           H        LYS  41   9.641  10.361   0.355
  303    HA   LYS  41           HA       LYS  41  12.468  10.326   1.357
  304   1HB   LYS  41          2HB       LYS  41  10.109  11.690   2.375
  305   2HB   LYS  41          1HB       LYS  41  10.412  10.365   3.469
  306   1HG   LYS  41          2HG       LYS  41  11.631  12.219   4.323
  307   2HG   LYS  41          1HG       LYS  41  12.814  11.108   3.655
  308   1HD   LYS  41          2HD       LYS  41  12.822  12.481   1.495
  309   2HD   LYS  41          1HD       LYS  41  11.774  13.647   2.259
  310   1HE   LYS  41          2HE       LYS  41  14.611  12.880   3.129
  311   2HE   LYS  41          1HE       LYS  41  14.126  14.403   2.406
  312   1HZ   LYS  41          1HZ       LYS  41  12.513  13.976   4.666
  313   2HZ   LYS  41          3HZ       LYS  41  14.124  13.715   5.127
  314   3HZ   LYS  41          2HZ       LYS  41  13.669  15.185   4.426
  315    H    CYS  42           H        CYS  42  11.119   8.411  -0.080
  316    HA   CYS  42           HA       CYS  42  11.323   5.985   1.604
  317   1HB   CYS  42          2HB       CYS  42   8.822   6.713   1.058
  318   2HB   CYS  42          1HB       CYS  42   9.229   6.431  -0.603
   
  No H/Q in entry =         318
  Start of MODEL   19
    1   1H    CYS   1          3H        CYS   1   0.209  -0.822  -0.535
    2   2H    CYS   1          2H        CYS   1   1.485  -1.511   0.303
    3   3H    CYS   1          1H        CYS   1   1.419   0.145   0.045
    4    HA   CYS   1           HA       CYS   1   2.605  -0.076  -1.843
    5   1HB   CYS   1          2HB       CYS   1   3.874  -1.698  -1.002
    6   2HB   CYS   1          1HB       CYS   1   2.592  -2.901  -0.978
    7    H    ALA   2           H        ALA   2   0.881   0.708  -3.317
    8    HA   ALA   2           HA       ALA   2  -0.531  -1.444  -4.846
    9   1HB   ALA   2          2HB       ALA   2  -1.167   1.546  -4.629
   10   2HB   ALA   2          1HB       ALA   2  -2.101   0.380  -5.545
   11   3HB   ALA   2          3HB       ALA   2  -2.038   0.277  -3.795
   12    H    LYS   3           H        LYS   3  -0.660  -0.988  -7.177
   13    HA   LYS   3           HA       LYS   3   1.841   0.350  -8.208
   14   1HB   LYS   3          2HB       LYS   3   0.364  -2.108  -9.292
   15   2HB   LYS   3          1HB       LYS   3   1.570  -1.257 -10.205
   16   1HG   LYS   3          2HG       LYS   3   2.487  -3.287  -9.266
   17   2HG   LYS   3          1HG       LYS   3   3.338  -1.882  -8.694
   18   1HD   LYS   3          2HD       LYS   3   1.078  -2.789  -6.943
   19   2HD   LYS   3          1HD       LYS   3   2.347  -3.964  -7.094
   20   1HE   LYS   3          2HE       LYS   3   2.826  -1.059  -6.395
   21   2HE   LYS   3          1HE       LYS   3   2.666  -2.322  -5.188
   22   1HZ   LYS   3          1HZ       LYS   3   4.621  -3.073  -7.102
   23   2HZ   LYS   3          3HZ       LYS   3   4.924  -1.474  -6.590
   24   3HZ   LYS   3          2HZ       LYS   3   4.814  -2.701  -5.450
   25    H    LYS   4           H        LYS   4   0.001   2.106  -7.997
   26    HA   LYS   4           HA       LYS   4  -1.270   3.733  -9.177
   27   1HB   LYS   4          2HB       LYS   4   0.699   3.423 -10.800
   28   2HB   LYS   4          1HB       LYS   4  -0.287   2.313 -11.721
   29   1HG   LYS   4          2HG       LYS   4  -1.348   5.092 -11.108
   30   2HG   LYS   4          1HG       LYS   4  -0.124   4.917 -12.326
   31   1HD   LYS   4          2HD       LYS   4  -1.446   3.996 -13.875
   32   2HD   LYS   4          1HD       LYS   4  -2.384   3.005 -12.827
   33   1HE   LYS   4          2HE       LYS   4  -3.265   5.585 -12.091
   34   2HE   LYS   4          1HE       LYS   4  -2.708   5.909 -13.719
   35   1HZ   LYS   4          3HZ       LYS   4  -4.332   3.595 -13.804
   36   2HZ   LYS   4          2HZ       LYS   4  -5.147   4.789 -12.913
   37   3HZ   LYS   4          1HZ       LYS   4  -4.624   5.109 -14.486
   38    H    ARG   5           H        ARG   5  -3.028   3.456 -11.199
   39    HA   ARG   5           HA       ARG   5  -5.005   2.574 -12.103
   40   1HB   ARG   5          2HB       ARG   5  -3.496   0.546 -12.555
   41   2HB   ARG   5          1HB       ARG   5  -4.039  -0.124 -11.039
   42   1HG   ARG   5          2HG       ARG   5  -6.286  -0.370 -11.747
   43   2HG   ARG   5          1HG       ARG   5  -6.111   0.706 -13.111
   44   1HD   ARG   5          2HD       ARG   5  -4.648  -1.976 -12.866
   45   2HD   ARG   5          1HD       ARG   5  -6.172  -1.779 -13.715
   46    HE   ARG   5           HE       ARG   5  -3.689  -0.268 -14.535
   47   1HH1  ARG   5          1HH2      ARG   5  -6.061   0.534 -15.914
   48   2HH1  ARG   5          2HH2      ARG   5  -6.133  -0.457 -17.318
   49   1HH2  ARG   5          2HH1      ARG   5  -3.902  -2.796 -15.847
   50   2HH2  ARG   5          1HH1      ARG   5  -4.823  -2.508 -17.272
   51    H    ASN   6           H        ASN   6  -4.296   1.093  -8.996
   52    HA   ASN   6           HA       ASN   6  -7.103   1.642  -8.013
   53   1HB   ASN   6          2HB       ASN   6  -5.502  -0.723  -7.768
   54   2HB   ASN   6          1HB       ASN   6  -5.027   0.188  -6.353
   55   1HD2  ASN   6          2HD2      ASN   6  -8.624  -1.598  -6.378
   56   2HD2  ASN   6          1HD2      ASN   6  -7.457  -1.843  -7.594
   57    H    TRP   7           H        TRP   7  -7.194   3.092  -6.256
   58    HA   TRP   7           HA       TRP   7  -4.631   4.607  -6.064
   59   1HB   TRP   7          2HB       TRP   7  -5.984   6.504  -5.389
   60   2HB   TRP   7          1HB       TRP   7  -6.593   5.912  -6.919
   61    HD1  TRP   7           HD1      TRP   7  -7.511   4.792  -3.353
   62    HE1  TRP   7           HE1      TRP   7  -9.957   5.261  -2.941
   63    HE3  TRP   7           HE3      TRP   7  -8.524   6.808  -7.764
   64    HZ2  TRP   7           HZ2      TRP   7 -12.050   6.295  -4.344
   65    HZ3  TRP   7           HZ3      TRP   7 -10.863   7.551  -8.274
   66    HH2  TRP   7           HH2      TRP   7 -12.622   7.275  -6.553
   67    H    CYS   8           H        CYS   8  -4.673   5.906  -4.070
   68    HA   CYS   8           HA       CYS   8  -4.788   4.118  -1.702
   69   1HB   CYS   8          2HB       CYS   8  -2.881   5.905  -1.133
   70   2HB   CYS   8          1HB       CYS   8  -2.572   4.496  -2.112
   71    H    GLY   9           H        GLY   9  -5.983   6.981  -3.067
   72   1HA   GLY   9          2HA       GLY   9  -7.751   8.353  -2.114
   73   2HA   GLY   9          1HA       GLY   9  -7.436   7.601  -0.557
   74    H    LYS  10           H        LYS  10  -5.043   7.869   0.031
   75    HA   LYS  10           HA       LYS  10  -3.968  10.619  -0.332
   76   1HB   LYS  10          2HB       LYS  10  -3.510  10.630   2.166
   77   2HB   LYS  10          1HB       LYS  10  -5.246  10.553   1.855
   78   1HG   LYS  10          2HG       LYS  10  -5.224   8.077   2.135
   79   2HG   LYS  10          1HG       LYS  10  -3.511   8.060   2.183
   80   1HD   LYS  10          2HD       LYS  10  -4.237   7.674   4.273
   81   2HD   LYS  10          1HD       LYS  10  -3.452   9.244   4.324
   82   1HE   LYS  10          2HE       LYS  10  -5.643  10.318   4.519
   83   2HE   LYS  10          1HE       LYS  10  -6.444   8.751   4.373
   84   1HZ   LYS  10          3HZ       LYS  10  -4.425   8.510   6.334
   85   2HZ   LYS  10          2HZ       LYS  10  -5.293   9.889   6.718
   86   3HZ   LYS  10          1HZ       LYS  10  -6.069   8.381   6.547
   87    H    ASN  11           H        ASN  11  -1.709  10.738   0.444
   88    HA   ASN  11           HA       ASN  11  -0.268   8.529  -0.757
   89   1HB   ASN  11          2HB       ASN  11   1.769   9.892  -0.062
   90   2HB   ASN  11          1HB       ASN  11   0.595  10.816  -1.002
   91   1HD2  ASN  11          2HD2      ASN  11   1.259  11.896   2.825
   92   2HD2  ASN  11          1HD2      ASN  11   2.125  10.595   2.146
   93    H    GLU  12           H        GLU  12  -1.648   7.429   1.375
   94    HA   GLU  12           HA       GLU  12   0.326   7.077   3.607
   95   1HB   GLU  12          2HB       GLU  12  -2.098   7.853   3.845
   96   2HB   GLU  12          1HB       GLU  12  -2.594   6.180   3.624
   97   1HG   GLU  12          2HG       GLU  12  -1.538   5.561   5.736
   98   2HG   GLU  12          1HG       GLU  12  -0.669   7.089   5.832
   99    H    ASP  13           H        ASP  13  -1.730   5.003   1.419
  100    HA   ASP  13           HA       ASP  13   0.304   2.847   1.953
  101   1HB   ASP  13          2HB       ASP  13  -1.882   2.226   3.008
  102   2HB   ASP  13          1HB       ASP  13  -2.661   2.309   1.435
  103    H    CYS  14           H        CYS  14   1.504   3.354   0.131
  104    HA   CYS  14           HA       CYS  14   0.481   2.322  -2.514
  105   1HB   CYS  14          2HB       CYS  14   0.447   4.861  -2.412
  106   2HB   CYS  14          1HB       CYS  14   2.209   4.762  -2.316
  107    H    CYS  15           H        CYS  15   2.445   2.003  -3.925
  108    HA   CYS  15           HA       CYS  15   4.618   0.794  -2.272
  109   1HB   CYS  15          2HB       CYS  15   3.038  -0.371  -4.137
  110   2HB   CYS  15          1HB       CYS  15   4.259   0.250  -5.168
  111    H    CYS  16           H        CYS  16   5.538   2.721  -2.002
  112    HA   CYS  16           HA       CYS  16   6.298   4.823  -3.596
  113   1HB   CYS  16          2HB       CYS  16   7.713   3.450  -1.424
  114   2HB   CYS  16          1HB       CYS  16   8.531   4.719  -2.269
  115    HA   PRO  17           HA       PRO  17   7.964   6.166  -3.692
  116   1HB   PRO  17          2HB       PRO  17   9.037   7.796  -5.422
  117   2HB   PRO  17          1HB       PRO  17  10.084   6.586  -4.629
  118   1HG   PRO  17          2HG       PRO  17   8.735   6.375  -7.410
  119   2HG   PRO  17          1HG       PRO  17  10.435   6.116  -7.034
  120   1HD   PRO  17          2HD       PRO  17   8.569   4.036  -7.079
  121   2HD   PRO  17          1HD       PRO  17  10.026   3.954  -6.077
  122    H    MET  18           H        MET  18   5.969   6.985  -3.619
  123    HA   MET  18           HA       MET  18   4.570   7.865  -6.085
  124   1HB   MET  18          2HB       MET  18   4.433   5.363  -5.773
  125   2HB   MET  18          1HB       MET  18   3.387   5.694  -4.421
  126   1HG   MET  18          2HG       MET  18   1.673   5.885  -5.785
  127   2HG   MET  18          1HG       MET  18   2.395   7.235  -6.578
  128   1HE   MET  18          1HE       MET  18   3.061   3.784  -5.947
  129   2HE   MET  18          3HE       MET  18   2.645   2.871  -7.357
  130   3HE   MET  18          2HE       MET  18   4.295   3.541  -7.151
  131    H    LYS  19           H        LYS  19   2.704   8.906  -5.700
  132    HA   LYS  19           HA       LYS  19   2.092   9.612  -2.825
  133   1HB   LYS  19          2HB       LYS  19   3.459  11.406  -4.219
  134   2HB   LYS  19          1HB       LYS  19   1.969  11.623  -5.111
  135   1HG   LYS  19          2HG       LYS  19   0.763  12.225  -2.984
  136   2HG   LYS  19          1HG       LYS  19   2.258  11.955  -2.081
  137   1HD   LYS  19          2HD       LYS  19   3.277  13.626  -3.835
  138   2HD   LYS  19          1HD       LYS  19   1.595  14.053  -4.102
  139   1HE   LYS  19          2HE       LYS  19   1.263  14.916  -1.954
  140   2HE   LYS  19          1HE       LYS  19   2.680  14.111  -1.289
  141   1HZ   LYS  19          1HZ       LYS  19   3.546  15.753  -3.429
  142   2HZ   LYS  19          3HZ       LYS  19   2.568  16.693  -2.425
  143   3HZ   LYS  19          2HZ       LYS  19   3.939  15.887  -1.862
  144    H    CYS  20           H        CYS  20  -0.398  10.441  -2.766
  145    HA   CYS  20           HA       CYS  20  -1.740   8.823  -4.855
  146   1HB   CYS  20          2HB       CYS  20  -2.076   8.983  -2.224
  147   2HB   CYS  20          1HB       CYS  20  -3.205  10.251  -2.642
  148    H    ILE  21           H        ILE  21  -2.953   9.965  -6.504
  149    HA   ILE  21           HA       ILE  21  -2.670  12.896  -6.373
  150    HB   ILE  21           HB       ILE  21  -2.619  10.870  -8.647
  151   1HG1  ILE  21          2HG1      ILE  21  -0.573  11.036  -7.441
  152   2HG1  ILE  21          1HG1      ILE  21  -0.387  11.906  -8.969
  153   1HG2  ILE  21          2HG2      ILE  21  -2.452  13.871  -9.035
  154   2HG2  ILE  21          1HG2      ILE  21  -2.168  12.630 -10.245
  155   3HG2  ILE  21          3HG2      ILE  21  -3.773  12.829  -9.575
  156   1HD1  ILE  21          2HD1      ILE  21  -0.883  13.343  -6.328
  157   2HD1  ILE  21          1HD1      ILE  21   0.571  13.029  -7.134
  158   3HD1  ILE  21          3HD1      ILE  21  -0.593  14.067  -7.916
  159    H    TYR  22           H        TYR  22  -3.803  14.190  -7.446
  160    HA   TYR  22           HA       TYR  22  -6.710  13.683  -7.232
  161   1HB   TYR  22          2HB       TYR  22  -4.956  16.068  -6.562
  162   2HB   TYR  22          1HB       TYR  22  -6.686  16.012  -6.199
  163    HD1  TYR  22           HD1      TYR  22  -7.434  13.862  -4.703
  164    HD2  TYR  22           HD2      TYR  22  -3.404  15.177  -5.088
  165    HE1  TYR  22           HE1      TYR  22  -6.788  12.564  -2.750
  166    HE2  TYR  22           HE2      TYR  22  -2.776  13.870  -3.150
  167    HH   TYR  22           HH       TYR  22  -5.200  11.803  -1.538
  168    H    ALA  23           H        ALA  23  -8.147  14.932  -8.431
  169    HA   ALA  23           HA       ALA  23  -7.133  16.088 -10.984
  170   1HB   ALA  23          2HB       ALA  23  -9.548  14.209 -10.607
  171   2HB   ALA  23          1HB       ALA  23  -9.069  14.922 -12.135
  172   3HB   ALA  23          3HB       ALA  23  -8.039  13.735 -11.363
  173    H    TRP  24           H        TRP  24  -9.389  17.158 -11.908
  174    HA   TRP  24           HA       TRP  24  -9.990  19.420 -10.363
  175   1HB   TRP  24          2HB       TRP  24 -11.934  19.744 -11.793
  176   2HB   TRP  24          1HB       TRP  24 -10.751  18.950 -12.813
  177    HD1  TRP  24           HD1      TRP  24 -11.476  16.404 -13.687
  178    HE1  TRP  24           HE1      TRP  24 -13.552  15.029 -13.401
  179    HE3  TRP  24           HE3      TRP  24 -13.701  19.255 -10.218
  180    HZ2  TRP  24           HZ2      TRP  24 -15.886  15.140 -11.847
  181    HZ3  TRP  24           HZ3      TRP  24 -15.854  18.607  -9.310
  182    HH2  TRP  24           HH2      TRP  24 -16.985  16.530 -10.124
  183    H    TYR  25           H        TYR  25 -11.224  16.272 -10.101
  184    HA   TYR  25           HA       TYR  25 -13.493  16.514  -8.493
  185   1HB   TYR  25          2HB       TYR  25 -11.728  14.395  -9.333
  186   2HB   TYR  25          1HB       TYR  25 -11.860  14.236  -7.600
  187    HD1  TYR  25           HD1      TYR  25 -14.248  14.179  -6.580
  188    HD2  TYR  25           HD2      TYR  25 -13.486  13.690 -10.740
  189    HE1  TYR  25           HE1      TYR  25 -16.444  13.167  -6.856
  190    HE2  TYR  25           HE2      TYR  25 -15.686  12.669 -11.018
  191    HH   TYR  25           HH       TYR  25 -17.667  11.739  -8.386
  192    H    ASN  26           H        ASN  26 -13.748  16.174  -6.158
  193    HA   ASN  26           HA       ASN  26 -11.439  17.265  -4.576
  194   1HB   ASN  26          2HB       ASN  26 -13.241  18.975  -4.953
  195   2HB   ASN  26          1HB       ASN  26 -14.376  17.922  -4.101
  196   1HD2  ASN  26          2HD2      ASN  26 -13.161  19.024  -0.978
  197   2HD2  ASN  26          1HD2      ASN  26 -14.430  18.290  -1.842
  198    H    GLN  27           H        GLN  27 -11.096  14.925  -4.322
  199    HA   GLN  27           HA       GLN  27 -11.179  13.889  -1.879
  200   1HB   GLN  27          2HB       GLN  27 -13.135  12.293  -1.742
  201   2HB   GLN  27          1HB       GLN  27 -13.673  13.955  -1.684
  202   1HG   GLN  27          2HG       GLN  27 -14.191  13.835  -4.162
  203   2HG   GLN  27          1HG       GLN  27 -13.664  12.169  -4.196
  204   1HE2  GLN  27          2HE2      GLN  27 -16.778  12.070  -1.760
  205   2HE2  GLN  27          1HE2      GLN  27 -15.224  12.528  -1.242
  206    H    GLN  28           H        GLN  28 -10.592  11.732  -1.790
  207    HA   GLN  28           HA       GLN  28  -9.734   9.682  -2.470
  208   1HB   GLN  28          2HB       GLN  28 -10.853  10.348  -5.233
  209   2HB   GLN  28          1HB       GLN  28 -10.271   8.801  -4.716
  210   1HG   GLN  28          2HG       GLN  28 -12.040   8.401  -3.176
  211   2HG   GLN  28          1HG       GLN  28 -12.499  10.094  -3.094
  212   1HE2  GLN  28          2HE2      GLN  28 -13.822   9.733  -6.579
  213   2HE2  GLN  28          1HE2      GLN  28 -12.517  10.622  -5.931
  214    H    GLY  29           H        GLY  29  -7.962   8.897  -3.815
  215   1HA   GLY  29          2HA       GLY  29  -6.302  11.045  -5.006
  216   2HA   GLY  29          1HA       GLY  29  -5.607   9.967  -3.819
  217    H    SER  30           H        SER  30  -4.061   9.178  -5.336
  218    HA   SER  30           HA       SER  30  -4.705   6.828  -6.772
  219   1HB   SER  30          2HB       SER  30  -4.201   7.852  -9.145
  220   2HB   SER  30          1HB       SER  30  -5.813   8.150  -8.472
  221    HG   SER  30           HG       SER  30  -5.192  10.163  -7.862
  222    H    CYS  31           H        CYS  31  -2.914   5.685  -6.471
  223    HA   CYS  31           HA       CYS  31  -0.420   6.614  -5.756
  224   1HB   CYS  31          2HB       CYS  31  -1.407   4.130  -7.097
  225   2HB   CYS  31          1HB       CYS  31   0.313   4.369  -7.019
  226    H    GLN  32           H        GLN  32   0.442   8.432  -7.076
  227    HA   GLN  32           HA       GLN  32   1.203   7.478  -9.780
  228   1HB   GLN  32          2HB       GLN  32  -0.683   9.371  -9.513
  229   2HB   GLN  32          1HB       GLN  32   0.704  10.333  -9.010
  230   1HG   GLN  32          2HG       GLN  32   0.243  10.725 -11.410
  231   2HG   GLN  32          1HG       GLN  32   1.816   9.976 -11.182
  232   1HE2  GLN  32          2HE2      GLN  32  -1.144   7.829 -12.952
  233   2HE2  GLN  32          1HE2      GLN  32  -1.543   9.270 -12.138
  234    H    THR  33           H        THR  33   3.233   7.890 -10.372
  235    HA   THR  33           HA       THR  33   4.914   8.417  -8.154
  236    HB   THR  33           HB       THR  33   6.431   8.143 -10.721
  237    HG1  THR  33           HG1      THR  33   4.979   5.950 -10.769
  238   1HG2  THR  33          3HG2      THR  33   5.597   6.239  -8.594
  239   2HG2  THR  33          2HG2      THR  33   6.979   6.055  -9.702
  240   3HG2  THR  33          1HG2      THR  33   6.954   7.379  -8.530
  241    H    THR  34           H        THR  34   3.778  10.786  -8.422
  242    HA   THR  34           HA       THR  34   6.089  12.278  -9.246
  243    HB   THR  34           HB       THR  34   4.856  12.067 -11.489
  244    HG1  THR  34           HG1      THR  34   4.148  14.462 -11.514
  245   1HG2  THR  34          1HG2      THR  34   2.625  11.674 -10.326
  246   2HG2  THR  34          3HG2      THR  34   2.541  13.372  -9.916
  247   3HG2  THR  34          2HG2      THR  34   2.489  12.863 -11.606
  248    H    ILE  35           H        ILE  35   5.530  14.613  -9.334
  249    HA   ILE  35           HA       ILE  35   5.131  16.604  -8.225
  250    HB   ILE  35           HB       ILE  35   2.691  15.377  -8.059
  251   1HG1  ILE  35          2HG1      ILE  35   2.950  17.816  -8.109
  252   2HG1  ILE  35          1HG1      ILE  35   1.768  17.376  -6.905
  253   1HG2  ILE  35          3HG2      ILE  35   3.504  15.571  -5.176
  254   2HG2  ILE  35          2HG2      ILE  35   1.861  15.329  -5.754
  255   3HG2  ILE  35          1HG2      ILE  35   3.050  14.092  -5.958
  256   1HD1  ILE  35          3HD1      ILE  35   3.522  17.686  -5.106
  257   2HD1  ILE  35          2HD1      ILE  35   4.683  18.139  -6.343
  258   3HD1  ILE  35          1HD1      ILE  35   3.276  19.139  -6.050
  259    H    THR  36           H        THR  36   5.040  13.738  -6.186
  260    HA   THR  36           HA       THR  36   7.528  14.513  -4.829
  261    HB   THR  36           HB       THR  36   5.145  13.861  -2.992
  262    HG1  THR  36           HG1      THR  36   5.842  16.265  -4.337
  263   1HG2  THR  36          1HG2      THR  36   7.541  15.769  -2.694
  264   2HG2  THR  36          3HG2      THR  36   6.412  15.311  -1.429
  265   3HG2  THR  36          2HG2      THR  36   7.513  14.119  -2.093
  266    H    GLY  37           H        GLY  37   6.703  12.619  -6.710
  267   1HA   GLY  37          2HA       GLY  37   6.758  10.052  -5.146
  268   2HA   GLY  37          1HA       GLY  37   6.040  10.222  -6.751
  269    H    LEU  38           H        LEU  38   8.940  11.706  -5.868
  270    HA   LEU  38           HA       LEU  38  10.608   9.619  -7.190
  271   1HB   LEU  38          2HB       LEU  38   9.772  11.031  -8.945
  272   2HB   LEU  38          1HB       LEU  38  10.215  12.487  -8.122
  273    HG   LEU  38           HG       LEU  38  12.110  10.346  -9.316
  274   1HD1  LEU  38          3HD1      LEU  38  11.368  13.140 -10.301
  275   2HD1  LEU  38          2HD1      LEU  38  12.541  12.076 -11.059
  276   3HD1  LEU  38          1HD1      LEU  38  10.854  11.621 -11.018
  277   1HD2  LEU  38          2HD2      LEU  38  12.859  13.102  -8.219
  278   2HD2  LEU  38          1HD2      LEU  38  13.313  11.575  -7.481
  279   3HD2  LEU  38          3HD2      LEU  38  13.937  12.002  -9.044
  280    H    PHE  39           H        PHE  39  10.993  12.992  -6.227
  281    HA   PHE  39           HA       PHE  39  13.438  12.360  -4.700
  282   1HB   PHE  39          2HB       PHE  39  13.188  14.999  -4.277
  283   2HB   PHE  39          1HB       PHE  39  13.665  14.436  -5.862
  284    HD1  PHE  39           HD1      PHE  39  10.529  15.343  -3.922
  285    HD2  PHE  39           HD2      PHE  39  12.443  15.121  -7.728
  286    HE1  PHE  39           HE1      PHE  39   8.608  16.442  -4.970
  287    HE2  PHE  39           HE2      PHE  39  10.516  16.213  -8.757
  288    HZ   PHE  39           HZ       PHE  39   8.589  16.875  -7.374
  289    H    LYS  40           H        LYS  40  11.837  10.905  -3.604
  290    HA   LYS  40           HA       LYS  40  10.792  12.236  -1.151
  291   1HB   LYS  40          2HB       LYS  40   8.882  11.614  -2.546
  292   2HB   LYS  40          1HB       LYS  40   9.579  10.060  -2.919
  293   1HG   LYS  40          2HG       LYS  40   9.226   9.299  -0.597
  294   2HG   LYS  40          1HG       LYS  40   8.545  10.870  -0.159
  295   1HD   LYS  40          2HD       LYS  40   6.678  10.479  -1.666
  296   2HD   LYS  40          1HD       LYS  40   7.464   9.043  -2.318
  297   1HE   LYS  40          2HE       LYS  40   7.400   7.960  -0.050
  298   2HE   LYS  40          1HE       LYS  40   6.577   9.369   0.594
  299   1HZ   LYS  40          3HZ       LYS  40   5.162   8.555  -1.700
  300   2HZ   LYS  40          2HZ       LYS  40   5.483   7.178  -0.777
  301   3HZ   LYS  40          1HZ       LYS  40   4.655   8.454  -0.085
  302    H    LYS  41           H        LYS  41  10.337  10.512   0.489
  303    HA   LYS  41           HA       LYS  41  12.363   8.386   0.775
  304   1HB   LYS  41          2HB       LYS  41  12.044  10.892   2.437
  305   2HB   LYS  41          1HB       LYS  41  11.840   9.444   3.377
  306   1HG   LYS  41          2HG       LYS  41  14.117  10.176   3.616
  307   2HG   LYS  41          1HG       LYS  41  14.124   8.660   2.759
  308   1HD   LYS  41          2HD       LYS  41  14.155  11.283   1.233
  309   2HD   LYS  41          1HD       LYS  41  15.637  10.703   1.970
  310   1HE   LYS  41          2HE       LYS  41  15.724   8.760   0.622
  311   2HE   LYS  41          1HE       LYS  41  14.072   8.850   0.116
  312   1HZ   LYS  41          1HZ       LYS  41  15.440  11.234  -0.592
  313   2HZ   LYS  41          3HZ       LYS  41  16.231   9.867  -1.229
  314   3HZ   LYS  41          2HZ       LYS  41  14.561  10.125  -1.533
  315    H    CYS  42           H        CYS  42  11.392   6.592   1.618
  316    HA   CYS  42           HA       CYS  42   8.631   6.787   2.662
  317   1HB   CYS  42          2HB       CYS  42   9.063   6.000   0.018
  318   2HB   CYS  42          1HB       CYS  42   9.404   4.488   0.785
   
  No H/Q in entry =         318
  Start of MODEL   20
    1   1H    CYS   1          3H        CYS   1   0.711  -0.817  -0.785
    2   2H    CYS   1          2H        CYS   1   2.071  -1.561  -0.072
    3   3H    CYS   1          1H        CYS   1   2.057   0.121  -0.399
    4    HA   CYS   1           HA       CYS   1   2.945  -0.224  -2.351
    5   1HB   CYS   1          2HB       CYS   1   4.097  -1.992  -1.642
    6   2HB   CYS   1          1HB       CYS   1   2.688  -3.073  -1.671
    7    H    ALA   2           H        ALA   2   1.384   0.698  -3.666
    8    HA   ALA   2           HA       ALA   2  -0.660  -1.134  -4.872
    9   1HB   ALA   2          2HB       ALA   2  -1.556   0.941  -3.750
   10   2HB   ALA   2          1HB       ALA   2  -0.574   1.927  -4.822
   11   3HB   ALA   2          3HB       ALA   2  -1.882   0.963  -5.474
   12    H    LYS   3           H        LYS   3  -1.051  -0.379  -7.269
   13    HA   LYS   3           HA       LYS   3   1.543   0.361  -8.591
   14   1HB   LYS   3          2HB       LYS   3   1.153  -2.207  -8.497
   15   2HB   LYS   3          1HB       LYS   3  -0.238  -1.956  -9.541
   16   1HG   LYS   3          2HG       LYS   3   1.277  -0.894 -11.248
   17   2HG   LYS   3          1HG       LYS   3   2.650  -1.194 -10.194
   18   1HD   LYS   3          2HD       LYS   3   2.160  -3.673 -10.255
   19   2HD   LYS   3          1HD       LYS   3   0.878  -3.376 -11.410
   20   1HE   LYS   3          2HE       LYS   3   3.859  -2.750 -11.814
   21   2HE   LYS   3          1HE       LYS   3   2.987  -4.083 -12.544
   22   1HZ   LYS   3          2HZ       LYS   3   1.549  -1.760 -13.116
   23   2HZ   LYS   3          1HZ       LYS   3   3.182  -1.419 -13.433
   24   3HZ   LYS   3          3HZ       LYS   3   2.440  -2.735 -14.210
   25    H    LYS   4           H        LYS   4   0.072   2.235  -8.309
   26    HA   LYS   4           HA       LYS   4  -1.644   3.690  -8.977
   27   1HB   LYS   4          2HB       LYS   4   0.490   4.150 -10.267
   28   2HB   LYS   4          1HB       LYS   4  -0.165   3.253 -11.627
   29   1HG   LYS   4          2HG       LYS   4  -2.216   5.141 -10.786
   30   2HG   LYS   4          1HG       LYS   4  -0.708   5.998 -10.735
   31   1HD   LYS   4          2HD       LYS   4  -1.715   6.354 -12.885
   32   2HD   LYS   4          1HD       LYS   4  -0.237   5.438 -13.082
   33   1HE   LYS   4          2HE       LYS   4  -1.518   3.352 -13.390
   34   2HE   LYS   4          1HE       LYS   4  -3.029   4.161 -12.973
   35   1HZ   LYS   4          2HZ       LYS   4  -1.805   5.566 -15.053
   36   2HZ   LYS   4          1HZ       LYS   4  -1.795   3.920 -15.471
   37   3HZ   LYS   4          3HZ       LYS   4  -3.258   4.690 -15.125
   38    H    ARG   5           H        ARG   5  -3.356   1.967  -8.803
   39    HA   ARG   5           HA       ARG   5  -4.871   1.616 -11.327
   40   1HB   ARG   5          2HB       ARG   5  -5.084  -0.815 -11.172
   41   2HB   ARG   5          1HB       ARG   5  -3.376  -0.446 -11.165
   42   1HG   ARG   5          2HG       ARG   5  -3.370  -0.722  -8.639
   43   2HG   ARG   5          1HG       ARG   5  -5.078  -1.164  -8.717
   44   1HD   ARG   5          2HD       ARG   5  -4.323  -3.007 -10.415
   45   2HD   ARG   5          1HD       ARG   5  -2.702  -2.699  -9.795
   46    HE   ARG   5           HE       ARG   5  -4.979  -3.486  -7.993
   47   1HH1  ARG   5          1HH2      ARG   5  -2.971  -2.939  -6.268
   48   2HH1  ARG   5          2HH2      ARG   5  -1.934  -4.302  -6.173
   49   1HH2  ARG   5          2HH1      ARG   5  -3.239  -5.539  -9.257
   50   2HH2  ARG   5          1HH1      ARG   5  -2.096  -5.903  -8.017
   51    H    ASN   6           H        ASN   6  -4.474   0.930  -8.108
   52    HA   ASN   6           HA       ASN   6  -7.227   1.599  -7.040
   53   1HB   ASN   6          2HB       ASN   6  -6.111  -0.937  -6.706
   54   2HB   ASN   6          1HB       ASN   6  -5.048  -0.041  -5.632
   55   1HD2  ASN   6          2HD2      ASN   6  -8.397  -1.134  -3.970
   56   2HD2  ASN   6          1HD2      ASN   6  -7.546  -2.014  -5.155
   57    H    TRP   7           H        TRP   7  -6.938   2.706  -5.032
   58    HA   TRP   7           HA       TRP   7  -4.350   4.175  -5.123
   59   1HB   TRP   7          2HB       TRP   7  -5.592   6.191  -4.598
   60   2HB   TRP   7          1HB       TRP   7  -6.129   5.511  -6.122
   61    HD1  TRP   7           HD1      TRP   7  -7.263   5.001  -2.483
   62    HE1  TRP   7           HE1      TRP   7  -9.710   5.600  -2.256
   63    HE3  TRP   7           HE3      TRP   7  -8.156   6.047  -7.281
   64    HZ2  TRP   7           HZ2      TRP   7 -11.705   6.288  -3.858
   65    HZ3  TRP   7           HZ3      TRP   7 -10.485   6.668  -7.965
   66    HH2  TRP   7           HH2      TRP   7 -12.269   6.781  -6.248
   67    H    CYS   8           H        CYS   8  -4.248   5.688  -3.434
   68    HA   CYS   8           HA       CYS   8  -4.199   4.218  -0.863
   69   1HB   CYS   8          2HB       CYS   8  -2.682   6.266  -0.442
   70   2HB   CYS   8          1HB       CYS   8  -2.073   4.910  -1.355
   71    H    GLY   9           H        GLY   9  -5.585   6.950  -2.351
   72   1HA   GLY   9          2HA       GLY   9  -7.472   8.161  -1.510
   73   2HA   GLY   9          1HA       GLY   9  -7.147   7.510   0.119
   74    H    LYS  10           H        LYS  10  -4.704   7.927   0.677
   75    HA   LYS  10           HA       LYS  10  -3.821  10.685  -0.042
   76   1HB   LYS  10          2HB       LYS  10  -3.501  11.262   2.297
   77   2HB   LYS  10          1HB       LYS  10  -5.172  10.757   2.079
   78   1HG   LYS  10          2HG       LYS  10  -4.827   8.672   3.189
   79   2HG   LYS  10          1HG       LYS  10  -3.160   8.616   2.743
   80   1HD   LYS  10          2HD       LYS  10  -3.142   9.036   5.070
   81   2HD   LYS  10          1HD       LYS  10  -2.673  10.514   4.272
   82   1HE   LYS  10          2HE       LYS  10  -4.992  11.389   4.557
   83   2HE   LYS  10          1HE       LYS  10  -5.526   9.825   5.169
   84   1HZ   LYS  10          3HZ       LYS  10  -3.330  10.641   6.683
   85   2HZ   LYS  10          2HZ       LYS  10  -4.433  11.945   6.666
   86   3HZ   LYS  10          1HZ       LYS  10  -4.923  10.393   7.173
   87    H    ASN  11           H        ASN  11  -2.763   8.118  -0.692
   88    HA   ASN  11           HA       ASN  11  -0.568   7.807  -1.429
   89   1HB   ASN  11          2HB       ASN  11   0.390   9.811  -0.211
   90   2HB   ASN  11          1HB       ASN  11   0.506   8.828   1.237
   91   1HD2  ASN  11          2HD2      ASN  11   2.847   6.887  -1.350
   92   2HD2  ASN  11          1HD2      ASN  11   1.175   6.674  -1.322
   93    H    GLU  12           H        GLU  12  -1.616   7.472   1.810
   94    HA   GLU  12           HA       GLU  12  -0.598   5.813   3.412
   95   1HB   GLU  12          2HB       GLU  12  -3.388   5.608   2.298
   96   2HB   GLU  12          1HB       GLU  12  -2.896   4.352   3.408
   97   1HG   GLU  12          2HG       GLU  12  -2.262   6.004   5.096
   98   2HG   GLU  12          1HG       GLU  12  -2.639   7.329   4.061
   99    H    ASP  13           H        ASP  13  -1.896   3.866   0.629
  100    HA   ASP  13           HA       ASP  13  -0.054   1.721   1.613
  101   1HB   ASP  13          2HB       ASP  13  -1.626   0.123   0.835
  102   2HB   ASP  13          1HB       ASP  13  -2.602   1.377   1.590
  103    H    CYS  14           H        CYS  14   0.693   3.812  -0.493
  104    HA   CYS  14           HA       CYS  14   0.731   2.227  -2.942
  105   1HB   CYS  14          2HB       CYS  14   2.333   4.626  -2.239
  106   2HB   CYS  14          1HB       CYS  14   2.030   3.976  -3.835
  107    H    CYS  15           H        CYS  15   2.741   2.072  -4.179
  108    HA   CYS  15           HA       CYS  15   4.890   0.707  -2.673
  109   1HB   CYS  15          2HB       CYS  15   3.261  -0.197  -4.735
  110   2HB   CYS  15          1HB       CYS  15   4.607   0.365  -5.606
  111    H    CYS  16           H        CYS  16   5.900   2.512  -2.249
  112    HA   CYS  16           HA       CYS  16   6.576   4.785  -3.504
  113   1HB   CYS  16          2HB       CYS  16   8.415   3.048  -1.972
  114   2HB   CYS  16          1HB       CYS  16   8.687   4.732  -2.318
  115    HA   PRO  17           HA       PRO  17   8.019   6.185  -3.951
  116   1HB   PRO  17          2HB       PRO  17   8.467   7.906  -5.919
  117   2HB   PRO  17          1HB       PRO  17   9.833   6.950  -5.281
  118   1HG   PRO  17          2HG       PRO  17   8.066   6.344  -7.722
  119   2HG   PRO  17          1HG       PRO  17   9.826   6.389  -7.688
  120   1HD   PRO  17          2HD       PRO  17   8.408   4.022  -7.355
  121   2HD   PRO  17          1HD       PRO  17   9.970   4.258  -6.550
  122    H    MET  18           H        MET  18   6.220   7.306  -3.834
  123    HA   MET  18           HA       MET  18   4.062   7.600  -5.749
  124   1HB   MET  18          2HB       MET  18   3.984   5.162  -4.541
  125   2HB   MET  18          1HB       MET  18   3.133   6.148  -3.360
  126   1HG   MET  18          2HG       MET  18   1.524   5.338  -5.073
  127   2HG   MET  18          1HG       MET  18   1.652   7.043  -5.170
  128   1HE   MET  18          3HE       MET  18   2.342   3.650  -6.515
  129   2HE   MET  18          2HE       MET  18   3.174   3.875  -8.038
  130   3HE   MET  18          1HE       MET  18   4.044   4.169  -6.540
  131    H    LYS  19           H        LYS  19   2.346   8.696  -5.014
  132    HA   LYS  19           HA       LYS  19   2.281  10.012  -2.434
  133   1HB   LYS  19          2HB       LYS  19   3.860  11.432  -4.018
  134   2HB   LYS  19          1HB       LYS  19   2.469  11.580  -5.067
  135   1HG   LYS  19          2HG       LYS  19   1.196  12.718  -3.191
  136   2HG   LYS  19          1HG       LYS  19   2.648  12.618  -2.192
  137   1HD   LYS  19          2HD       LYS  19   3.922  13.890  -3.845
  138   2HD   LYS  19          1HD       LYS  19   2.569  13.908  -4.950
  139   1HE   LYS  19          2HE       LYS  19   2.439  16.063  -4.071
  140   2HE   LYS  19          1HE       LYS  19   1.301  15.223  -3.043
  141   1HZ   LYS  19          3HZ       LYS  19   3.930  15.068  -1.938
  142   2HZ   LYS  19          2HZ       LYS  19   3.555  16.665  -2.320
  143   3HZ   LYS  19          1HZ       LYS  19   2.528  15.826  -1.275
  144    H    CYS  20           H        CYS  20  -0.126  10.444  -2.263
  145    HA   CYS  20           HA       CYS  20  -1.561   9.054  -4.390
  146   1HB   CYS  20          2HB       CYS  20  -1.918   9.756  -1.759
  147   2HB   CYS  20          1HB       CYS  20  -3.096  10.680  -2.518
  148    H    ILE  21           H        ILE  21  -2.233  10.292  -6.217
  149    HA   ILE  21           HA       ILE  21  -1.788  13.236  -6.150
  150    HB   ILE  21           HB       ILE  21  -2.283  11.353  -8.506
  151   1HG1  ILE  21          2HG1      ILE  21  -0.142  10.827  -7.341
  152   2HG1  ILE  21          1HG1      ILE  21   0.139  11.416  -8.959
  153   1HG2  ILE  21          3HG2      ILE  21  -1.258  14.210  -8.516
  154   2HG2  ILE  21          2HG2      ILE  21  -1.309  13.147  -9.911
  155   3HG2  ILE  21          1HG2      ILE  21  -2.797  13.640  -9.152
  156   1HD1  ILE  21          2HD1      ILE  21   0.726  13.634  -7.988
  157   2HD1  ILE  21          1HD1      ILE  21   0.454  12.776  -6.467
  158   3HD1  ILE  21          3HD1      ILE  21   1.750  12.283  -7.493
  159    H    TYR  22           H        TYR  22  -3.422  14.443  -7.478
  160    HA   TYR  22           HA       TYR  22  -6.170  13.380  -7.146
  161   1HB   TYR  22          2HB       TYR  22  -4.999  16.089  -6.270
  162   2HB   TYR  22          1HB       TYR  22  -6.714  15.678  -6.126
  163    HD1  TYR  22           HD1      TYR  22  -7.386  13.839  -4.572
  164    HD2  TYR  22           HD2      TYR  22  -3.346  15.097  -4.773
  165    HE1  TYR  22           HE1      TYR  22  -6.905  12.565  -2.527
  166    HE2  TYR  22           HE2      TYR  22  -2.854  13.824  -2.726
  167    HH   TYR  22           HH       TYR  22  -5.232  11.767  -1.223
  168    H    ALA  23           H        ALA  23  -7.653  14.590  -8.609
  169    HA   ALA  23           HA       ALA  23  -6.220  15.636 -11.029
  170   1HB   ALA  23          2HB       ALA  23  -7.412  13.414 -11.389
  171   2HB   ALA  23          1HB       ALA  23  -8.913  14.148 -10.849
  172   3HB   ALA  23          3HB       ALA  23  -8.154  14.686 -12.339
  173    H    TRP  24           H        TRP  24  -8.499  16.827 -12.192
  174    HA   TRP  24           HA       TRP  24  -8.721  19.272 -10.751
  175   1HB   TRP  24          2HB       TRP  24 -10.475  19.869 -12.288
  176   2HB   TRP  24          1HB       TRP  24  -9.490  18.766 -13.224
  177    HD1  TRP  24           HD1      TRP  24 -10.732  16.366 -13.916
  178    HE1  TRP  24           HE1      TRP  24 -13.074  15.533 -13.644
  179    HE3  TRP  24           HE3      TRP  24 -12.353  19.917 -10.771
  180    HZ2  TRP  24           HZ2      TRP  24 -15.376  16.297 -12.236
  181    HZ3  TRP  24           HZ3      TRP  24 -14.642  19.849  -9.939
  182    HH2  TRP  24           HH2      TRP  24 -16.185  18.024 -10.673
  183    H    TYR  25           H        TYR  25 -10.528  16.364 -10.565
  184    HA   TYR  25           HA       TYR  25 -12.738  17.016  -9.033
  185   1HB   TYR  25          2HB       TYR  25 -11.157  14.548  -9.436
  186   2HB   TYR  25          1HB       TYR  25 -11.883  14.571  -7.850
  187    HD1  TYR  25           HD2      TYR  25 -14.350  14.874  -7.613
  188    HD2  TYR  25           HD1      TYR  25 -12.532  14.319 -11.418
  189    HE1  TYR  25           HE2      TYR  25 -16.526  14.339  -8.558
  190    HE2  TYR  25           HE1      TYR  25 -14.710  13.774 -12.369
  191    HH   TYR  25           HH       TYR  25 -16.943  13.473 -11.990
  192    H    ASN  26           H        ASN  26 -13.249  16.762  -6.798
  193    HA   ASN  26           HA       ASN  26 -11.003  17.665  -5.029
  194   1HB   ASN  26          2HB       ASN  26 -12.892  19.297  -5.605
  195   2HB   ASN  26          1HB       ASN  26 -13.934  18.280  -4.608
  196   1HD2  ASN  26          2HD2      ASN  26 -12.479  19.456  -1.580
  197   2HD2  ASN  26          1HD2      ASN  26 -13.593  18.373  -2.282
  198    H    GLN  27           H        GLN  27 -11.475  14.908  -5.340
  199    HA   GLN  27           HA       GLN  27 -11.769  14.170  -2.578
  200   1HB   GLN  27          2HB       GLN  27 -14.227  14.366  -3.314
  201   2HB   GLN  27          1HB       GLN  27 -13.916  13.077  -4.477
  202   1HG   GLN  27          2HG       GLN  27 -13.111  11.637  -2.482
  203   2HG   GLN  27          1HG       GLN  27 -13.662  12.916  -1.427
  204   1HE2  GLN  27          1HE2      GLN  27 -16.018  13.177  -3.605
  205   2HE2  GLN  27          2HE2      GLN  27 -17.047  11.943  -3.055
  206    H    GLN  28           H        GLN  28 -11.191  12.072  -2.224
  207    HA   GLN  28           HA       GLN  28  -9.918  10.158  -2.437
  208   1HB   GLN  28          2HB       GLN  28 -10.987  10.157  -5.305
  209   2HB   GLN  28          1HB       GLN  28 -10.226   8.800  -4.514
  210   1HG   GLN  28          2HG       GLN  28 -12.919  10.044  -3.780
  211   2HG   GLN  28          1HG       GLN  28 -12.626   8.450  -4.423
  212   1HE2  GLN  28          2HE2      GLN  28 -12.797   8.665  -0.532
  213   2HE2  GLN  28          1HE2      GLN  28 -13.620   9.690  -1.609
  214    H    GLY  29           H        GLY  29  -7.960   9.268  -3.432
  215   1HA   GLY  29          2HA       GLY  29  -6.479  11.208  -5.160
  216   2HA   GLY  29          1HA       GLY  29  -5.749  10.629  -3.645
  217    H    SER  30           H        SER  30  -4.393   9.997  -5.965
  218    HA   SER  30           HA       SER  30  -4.916   7.073  -6.137
  219   1HB   SER  30          2HB       SER  30  -4.234   7.170  -8.578
  220   2HB   SER  30          1HB       SER  30  -5.725   8.062  -8.248
  221    HG   SER  30           HG       SER  30  -3.186   9.032  -8.850
  222    H    CYS  31           H        CYS  31  -3.184   5.642  -6.222
  223    HA   CYS  31           HA       CYS  31  -0.685   6.680  -5.246
  224   1HB   CYS  31          2HB       CYS  31  -1.612   4.015  -6.348
  225   2HB   CYS  31          1HB       CYS  31   0.073   4.256  -5.996
  226    H    GLN  32           H        GLN  32  -0.018   8.298  -6.715
  227    HA   GLN  32           HA       GLN  32   0.955   7.301  -9.334
  228   1HB   GLN  32          2HB       GLN  32  -1.151   8.287  -9.774
  229   2HB   GLN  32          1HB       GLN  32  -0.902   9.619  -8.725
  230   1HG   GLN  32          2HG       GLN  32  -0.227  10.766 -10.680
  231   2HG   GLN  32          1HG       GLN  32   1.202   9.754 -10.684
  232   1HE2  GLN  32          2HE2      GLN  32  -1.597   9.385 -13.481
  233   2HE2  GLN  32          1HE2      GLN  32  -1.595  10.625 -12.315
  234    H    THR  33           H        THR  33   3.079   7.399  -9.051
  235    HA   THR  33           HA       THR  33   4.120   9.275  -7.157
  236    HB   THR  33           HB       THR  33   4.906   7.136  -7.311
  237    HG1  THR  33           HG1      THR  33   7.115   8.713  -8.147
  238   1HG2  THR  33          2HG2      THR  33   4.878   6.522  -9.554
  239   2HG2  THR  33          1HG2      THR  33   6.212   7.661  -9.891
  240   3HG2  THR  33          3HG2      THR  33   6.435   6.290  -8.795
  241    H    THR  34           H        THR  34   3.159  11.063  -8.521
  242    HA   THR  34           HA       THR  34   5.346  12.348 -10.029
  243    HB   THR  34           HB       THR  34   3.617  11.365 -11.759
  244    HG1  THR  34           HG1      THR  34   3.566  13.263 -12.830
  245   1HG2  THR  34          3HG2      THR  34   1.720  11.677 -10.127
  246   2HG2  THR  34          2HG2      THR  34   1.826  13.407 -10.339
  247   3HG2  THR  34          1HG2      THR  34   1.365  12.388 -11.699
  248    H    ILE  35           H        ILE  35   4.754  14.500 -10.641
  249    HA   ILE  35           HA       ILE  35   4.449  16.725 -10.032
  250    HB   ILE  35           HB       ILE  35   2.162  15.543  -8.963
  251   1HG1  ILE  35          2HG1      ILE  35   1.477  17.907  -8.217
  252   2HG1  ILE  35          1HG1      ILE  35   3.122  18.407  -8.566
  253   1HG2  ILE  35          2HG2      ILE  35   3.496  16.746  -6.520
  254   2HG2  ILE  35          1HG2      ILE  35   1.817  16.233  -6.648
  255   3HG2  ILE  35          3HG2      ILE  35   3.066  15.046  -6.710
  256   1HD1  ILE  35          2HD1      ILE  35   1.208  17.100 -10.564
  257   2HD1  ILE  35          1HD1      ILE  35   1.595  18.802 -10.491
  258   3HD1  ILE  35          3HD1      ILE  35   2.828  17.654 -10.950
  259    H    THR  36           H        THR  36   4.795  14.562  -7.307
  260    HA   THR  36           HA       THR  36   7.497  15.597  -6.730
  261    HB   THR  36           HB       THR  36   6.780  15.754  -4.155
  262    HG1  THR  36           HG1      THR  36   4.448  15.333  -5.560
  263   1HG2  THR  36          1HG2      THR  36   5.430  17.750  -6.066
  264   2HG2  THR  36          3HG2      THR  36   5.838  18.030  -4.384
  265   3HG2  THR  36          2HG2      THR  36   7.102  17.864  -5.584
  266    H    GLY  37           H        GLY  37   6.301  13.161  -7.810
  267   1HA   GLY  37          2HA       GLY  37   6.637  11.136  -5.660
  268   2HA   GLY  37          1HA       GLY  37   6.172  10.817  -7.326
  269    H    LEU  38           H        LEU  38   8.669  12.533  -5.911
  270    HA   LEU  38           HA       LEU  38  10.854  10.754  -6.762
  271   1HB   LEU  38          2HB       LEU  38  10.667  12.257  -8.644
  272   2HB   LEU  38          1HB       LEU  38  10.424  13.642  -7.611
  273    HG   LEU  38           HG       LEU  38  12.801  13.503  -6.807
  274   1HD1  LEU  38          2HD1      LEU  38  13.054  11.098  -8.684
  275   2HD1  LEU  38          1HD1      LEU  38  14.370  11.848  -7.797
  276   3HD1  LEU  38          3HD1      LEU  38  13.098  11.024  -6.931
  277   1HD2  LEU  38          2HD2      LEU  38  12.382  14.787  -8.880
  278   2HD2  LEU  38          1HD2      LEU  38  13.964  14.030  -8.923
  279   3HD2  LEU  38          3HD2      LEU  38  12.637  13.340  -9.840
  280    H    PHE  39           H        PHE  39   9.851  13.783  -5.294
  281    HA   PHE  39           HA       PHE  39  12.022  13.768  -3.334
  282   1HB   PHE  39          2HB       PHE  39   9.549  15.534  -3.156
  283   2HB   PHE  39          1HB       PHE  39  11.196  15.930  -2.719
  284    HD1  PHE  39           HD1      PHE  39  12.928  15.713  -4.908
  285    HD2  PHE  39           HD2      PHE  39   8.750  16.506  -5.051
  286    HE1  PHE  39           HE1      PHE  39  13.180  16.704  -7.136
  287    HE2  PHE  39           HE2      PHE  39   8.995  17.490  -7.284
  288    HZ   PHE  39           HZ       PHE  39  11.223  17.593  -8.332
  289    H    LYS  40           H        LYS  40  11.103  11.453  -2.965
  290    HA   LYS  40           HA       LYS  40   9.483  11.591  -0.493
  291   1HB   LYS  40          2HB       LYS  40   7.870  10.870  -2.256
  292   2HB   LYS  40          1HB       LYS  40   9.030   9.723  -2.887
  293   1HG   LYS  40          2HG       LYS  40   7.395   8.475  -1.610
  294   2HG   LYS  40          1HG       LYS  40   8.884   8.394  -0.724
  295   1HD   LYS  40          2HD       LYS  40   7.575   9.058   1.092
  296   2HD   LYS  40          1HD       LYS  40   7.755  10.667   0.430
  297   1HE   LYS  40          2HE       LYS  40   5.387  10.268   0.755
  298   2HE   LYS  40          1HE       LYS  40   5.695  10.292  -0.975
  299   1HZ   LYS  40          2HZ       LYS  40   6.053   7.642   0.035
  300   2HZ   LYS  40          1HZ       LYS  40   4.526   8.270   0.487
  301   3HZ   LYS  40          3HZ       LYS  40   4.946   8.265  -1.134
  302    H    LYS  41           H        LYS  41   9.907   9.886   0.908
  303    HA   LYS  41           HA       LYS  41  12.277   8.170   0.366
  304   1HB   LYS  41          2HB       LYS  41  11.656   9.930   2.806
  305   2HB   LYS  41          1HB       LYS  41  12.552   8.443   3.021
  306   1HG   LYS  41          2HG       LYS  41  14.185   9.327   1.200
  307   2HG   LYS  41          1HG       LYS  41  13.377  10.876   1.366
  308   1HD   LYS  41          2HD       LYS  41  13.966  11.006   3.745
  309   2HD   LYS  41          1HD       LYS  41  14.567   9.354   3.737
  310   1HE   LYS  41          2HE       LYS  41  16.353  10.057   2.085
  311   2HE   LYS  41          1HE       LYS  41  15.803  11.717   2.241
  312   1HZ   LYS  41          3HZ       LYS  41  16.204  10.665   4.829
  313   2HZ   LYS  41          2HZ       LYS  41  17.569  10.309   3.902
  314   3HZ   LYS  41          1HZ       LYS  41  17.058  11.916   4.067
  315    H    CYS  42           H        CYS  42  11.850   6.073   1.259
  316    HA   CYS  42           HA       CYS  42   9.149   5.707   2.476
  317   1HB   CYS  42          2HB       CYS  42   9.457   5.153  -0.094
  318   2HB   CYS  42          1HB       CYS  42  10.389   3.784   0.426

  No H/Q in entry =         318