*HEADER   VIRAL PEPTIDE                           23-OCT-97   1DSK    
*TITLE    NMR SOLUTION STRUCTURE OF VPR59_86, 20 STRUCTURES           
*COMPND   MOL_ID: 1;                                                  
*COMPND  2 MOLECULE: VPR PROTEIN;                                     
*COMPND  3 CHAIN: NULL;                                               
*COMPND  4 FRAGMENT: RESIDUES 59 - 86;                                
*COMPND  5 ENGINEERED: YES                                            
*SOURCE   MOL_ID: 1;                                                  
*SOURCE  2 SYNTHETIC: YES                                             
*KEYWDS   VIRAL PEPTIDE, POLYPEPTIDE                                  
*EXPDTA   NMR, 20 STRUCTURES                                          
*AUTHOR   S.YAO,A.M.TORRES,A.A.AZAD,I.G.MACREADIE,R.S.NORTON          
*REVDAT  1   01-JUL-98 1DSK    0                                      
 

# Here are the NOE contraints.  The dihedral constraints are at the
end of the constraint data.

!59 ALA
assign (resid 59 and name   HA) (resid 60 and name   HN) 0.00 0  3.00
assign (resid 59 and name  HB#) (resid 60 and name   HA) 0.00 0  5.50
!60 ILE
assign (resid 60 and name   HN) (resid 60 and name   HB) 0.00 0  3.60
assign (resid 60 and name   HN) (resid 60 and name HG12) 0.00 0  4.70
assign (resid 60 and name   HN) (resid 60 and name HG11) 0.00 0  4.70
assign (resid 60 and name   HN) (resid 60 and name HD1#) 0.00 0  6.30
assign (resid 60 and name   HN) (resid 61 and name   HN) 0.00 0  3.60
assign (resid 60 and name   HA) (resid 60 and name HG12) 0.00 0  3.80
assign (resid 60 and name   HA) (resid 60 and name HG11) 0.00 0  3.80
assign (resid 60 and name   HA) (resid 60 and name HD1#) 0.00 0  3.90
assign (resid 60 and name   HA) (resid 61 and name   HA) 0.00 0  4.50
assign (resid 60 and name   HA) (resid 63 and name   HN) 0.00 0  3.40
assign (resid 60 and name   HA) (resid 63 and name   HB) 0.00 0  3.50
assign (resid 60 and name   HA) (resid 64 and name   HN) 0.00 0  3.50
!61 ILE
assign (resid 61 and name   HN) (resid 61 and name   HA) 0.00 0  2.90
assign (resid 61 and name   HN) (resid 61 and name   HB) 0.00 0  3.40
assign (resid 61 and name   HN) (resid 61 and name HG2#) 0.00 0  3.90
assign (resid 61 and name   HN) (resid 61 and name HG12) 0.00 0  3.60
assign (resid 61 and name   HN) (resid 61 and name HG11) 0.00 0  3.60
assign (resid 61 and name   HN) (resid 61 and name HG1#) 0.00 0  3.29
assign (resid 61 and name   HN) (resid 61 and name HD1#) 0.00 0  4.10
assign (resid 61 and name   HA) (resid 61 and name HG12) 0.00 0  4.20
assign (resid 61 and name   HA) (resid 61 and name HG11) 0.00 0  4.20
assign (resid 61 and name   HA) (resid 61 and name HD1#) 0.00 0  4.20
assign (resid 61 and name   HA) (resid 64 and name   HN) 0.00 0  4.30
assign (resid 61 and name   HA) (resid 65 and name   HN) 0.00 0  4.70
!62 ARG
assign (resid 62 and name   HN) (resid 62 and name   HA) 0.00 0  2.90
assign (resid 62 and name   HN) (resid 62 and name  HB#) 0.00 0  3.72
assign (resid 62 and name   HN) (resid 62 and name  HG#) 0.00 0  5.20
assign (resid 62 and name   HN) (resid 63 and name   HN) 0.00 0  2.90
assign (resid 62 and name   HA) (resid 62 and name  HD#) 0.00 0  5.10
assign (resid 62 and name   HA) (resid 63 and name   HA) 0.00 0  4.60
assign (resid 62 and name   HA) (resid 65 and name   HN) 0.00 0  3.30
assign (resid 62 and name   HA) (resid 65 and name  HB2) 0.00 0  3.80
assign (resid 62 and name   HA) (resid 65 and name  HB1) 0.00 0  3.80
assign (resid 62 and name   HA) (resid 65 and name  HB#) 0.00 0  3.55
assign (resid 62 and name   HA) (resid 65 and name  HG#) 0.00 0  5.88
assign (resid 62 and name  HB2) (resid 63 and name   HN) 0.00 0  3.70
assign (resid 62 and name  HB1) (resid 63 and name   HN) 0.00 0  3.70
assign (resid 62 and name  HB#) (resid 63 and name   HN) 0.00 0  3.49
!63 ILE
assign (resid 63 and name   HN) (resid 63 and name   HA) 0.00 0  2.90
assign (resid 63 and name   HN) (resid 63 and name   HB) 0.00 0  3.40
assign (resid 63 and name   HN) (resid 63 and name HG2#) 0.00 0  4.10
assign (resid 63 and name   HN) (resid 63 and name HG12) 0.00 0  3.70
assign (resid 63 and name   HN) (resid 63 and name HG11) 0.00 0  3.70
assign (resid 63 and name   HN) (resid 63 and name HG1#) 0.00 0  3.49
assign (resid 63 and name   HN) (resid 63 and name HD1#) 0.00 0  5.10
assign (resid 63 and name   HN) (resid 64 and name   HN) 0.00 0  2.90
assign (resid 63 and name   HN) (resid 65 and name   HN) 0.00 0  4.00
assign (resid 63 and name   HA) (resid 63 and name HG12) 0.00 0  3.20
assign (resid 63 and name   HA) (resid 63 and name HG11) 0.00 0  3.20
assign (resid 63 and name   HA) (resid 63 and name HD1#) 0.00 0  3.90
assign (resid 63 and name   HB) (resid 64 and name   HN) 0.00 0  3.40
assign (resid 63 and name HG2#) (resid 65 and name HE21) 0.00 0  6.20
assign (resid 63 and name HG2#) (resid 65 and name HE22) 0.00 0  6.20
assign (resid 63 and name HG2#) (resid 66 and name HE21) 0.00 0  6.90
assign (resid 63 and name HG2#) (resid 66 and name HE22) 0.00 0  6.90
assign (resid 63 and name HG1#) (resid 64 and name   HN) 0.00 0  6.08
!64 LEU
assign (resid 64 and name   HN) (resid 64 and name   HA) 0.00 0  2.90
assign (resid 64 and name   HN) (resid 64 and name   HG) 0.00 0  4.00
assign (resid 64 and name   HN) (resid 64 and name HD1#) 0.00 0  4.40
assign (resid 64 and name   HN) (resid 64 and name HD2#) 0.00 0  4.40
assign (resid 64 and name   HN) (resid 64 and name  HD#) 0.00 0  4.00
assign (resid 64 and name   HN) (resid 65 and name   HN) 0.00 0  2.90
assign (resid 64 and name   HA) (resid 65 and name   HN) 0.00 0  3.40
assign (resid 64 and name  HB#) (resid 65 and name   HN) 0.00 0  4.60
assign (resid 64 and name  HD#) (resid 65 and name   HN) 0.00 0  6.17
!65 GLN
assign (resid 65 and name   HN) (resid 65 and name   HA) 0.00 0  2.90
assign (resid 65 and name   HN) (resid 65 and name  HB2) 0.00 0  3.50
assign (resid 65 and name   HN) (resid 65 and name  HB1) 0.00 0  3.50
assign (resid 65 and name   HN) (resid 65 and name  HG2) 0.00 0  4.00
assign (resid 65 and name   HN) (resid 65 and name  HG1) 0.00 0  4.00
assign (resid 65 and name   HN) (resid 65 and name  HG#) 0.00 0  3.65
assign (resid 65 and name   HN) (resid 66 and name   HN) 0.00 0  2.90
assign (resid 65 and name   HA) (resid 68 and name   HN) 0.00 0  3.40
assign (resid 65 and name   HA) (resid 69 and name   HN) 0.00 0  3.60
assign (resid 65 and name  HB2) (resid 66 and name   HN) 0.00 0  3.90
assign (resid 65 and name  HB1) (resid 66 and name   HN) 0.00 0  3.90
assign (resid 65 and name  HB#) (resid 66 and name   HN) 0.00 0  3.65
!66 GLN
assign (resid 66 and name   HN) (resid 66 and name   HA) 0.00 0  2.90
assign (resid 66 and name   HN) (resid 66 and name  HB2) 0.00 0  3.40
assign (resid 66 and name   HN) (resid 66 and name  HB1) 0.00 0  3.40
assign (resid 66 and name   HN) (resid 66 and name  HG2) 0.00 0  4.20
assign (resid 66 and name   HN) (resid 66 and name  HG1) 0.00 0  4.20
assign (resid 66 and name   HN) (resid 66 and name  HG#) 0.00 0  3.81
assign (resid 66 and name   HN) (resid 67 and name   HN) 0.00 0  2.90
assign (resid 66 and name   HN) (resid 68 and name   HN) 0.00 0  3.90
assign (resid 66 and name   HA) (resid 66 and name  HG#) 0.00 0  3.77
assign (resid 66 and name   HA) (resid 69 and name   HN) 0.00 0  3.40
assign (resid 66 and name   HA) (resid 69 and name  HB#) 0.00 0  4.40
assign (resid 66 and name   HA) (resid 69 and name  HD#) 0.00 0  6.80
assign (resid 66 and name  HB2) (resid 67 and name   HN) 0.00 0  3.80
assign (resid 66 and name  HB1) (resid 67 and name   HN) 0.00 0  3.80
!67 LEU
assign (resid 67 and name   HN) (resid 67 and name   HA) 0.00 0  2.90
assign (resid 67 and name   HN) (resid 67 and name   HG) 0.00 0  3.30
assign (resid 67 and name   HN) (resid 68 and name   HN) 0.00 0  3.00
assign (resid 67 and name   HN) (resid 69 and name   HN) 0.00 0  3.40
assign (resid 67 and name   HA) (resid 67 and name   HG) 0.00 0  2.90
assign (resid 67 and name   HA) (resid 67 and name HD1#) 0.00 0  4.20
assign (resid 67 and name   HA) (resid 67 and name HD2#) 0.00 0  4.20
assign (resid 67 and name   HA) (resid 67 and name  HD#) 0.00 0  3.74
assign (resid 67 and name   HA) (resid 68 and name   HN) 0.00 0  3.60
assign (resid 67 and name   HA) (resid 70 and name   HN) 0.00 0  3.60
assign (resid 67 and name  HB#) (resid 69 and name   HN) 0.00 0  4.90
!68 LEU
assign (resid 68 and name   HN) (resid 68 and name   HA) 0.00 0  2.90
assign (resid 68 and name   HN) (resid 68 and name   HG) 0.00 0  3.30
assign (resid 68 and name   HN) (resid 68 and name  HD#) 0.00 0  5.87
assign (resid 68 and name   HN) (resid 69 and name   HN) 0.00 0  3.00
assign (resid 68 and name   HN) (resid 69 and name  HB#) 0.00 0  5.30
assign (resid 68 and name   HA) (resid 68 and name   HG) 0.00 0  3.40
assign (resid 68 and name   HA) (resid 68 and name HD1#) 0.00 0  4.70
assign (resid 68 and name   HA) (resid 68 and name HD2#) 0.00 0  4.70
assign (resid 68 and name   HA) (resid 68 and name  HD#) 0.00 0  4.22
assign (resid 68 and name   HA) (resid 71 and name   HN) 0.00 0  3.00
assign (resid 68 and name   HA) (resid 71 and name  HB#) 0.00 0  4.50
assign (resid 68 and name   HA) (resid 72 and name   HN) 0.00 0  4.10
assign (resid 68 and name  HB#) (resid 69 and name   HN) 0.00 0  4.90
assign (resid 68 and name   HG) (resid 69 and name   HN) 0.00 0  3.80
assign (resid 68 and name  HD#) (resid 69 and name   HN) 0.00 0  6.77
!69 PHE
assign (resid 69 and name   HN) (resid 69 and name   HA) 0.00 0  2.90
assign (resid 69 and name   HN) (resid 70 and name   HN) 0.00 0  3.00
assign (resid 69 and name   HA) (resid 70 and name   HN) 0.00 0  3.40
assign (resid 69 and name  HB#) (resid 70 and name   HA) 0.00 0  5.30
assign (resid 69 and name  HB#) (resid 70 and name   HB) 0.00 0  6.30
assign (resid 69 and name  HB#) (resid 70 and name HG1#) 0.00 0  7.18
assign (resid 69 and name  HD#) (resid 70 and name   HN) 0.00 0  7.10
assign (resid 69 and name  HD#) (resid 70 and name   HA) 0.00 0  7.30
assign (resid 69 and name  HD#) (resid 70 and name HG12) 0.00 0  7.70
assign (resid 69 and name  HD#) (resid 70 and name HG11) 0.00 0  7.70
assign (resid 69 and name  HD#) (resid 70 and name HG1#) 0.00 0  7.12
assign (resid 69 and name  HD#) (resid 70 and name HD1#) 0.00 0  7.70
assign (resid 69 and name  HD#) (resid 73 and name  HB#) 0.00 0  8.98
assign (resid 69 and name  HD#) (resid 73 and name  HG#) 0.00 0  8.30
assign (resid 69 and name  HD#) (resid 73 and name  HD#) 0.00 0  8.10
assign (resid 69 and name  HE#) (resid 73 and name  HD#) 0.00 0  8.40
!70 ILE
assign (resid 70 and name   HN) (resid 70 and name   HB) 0.00 0  3.40
assign (resid 70 and name   HN) (resid 70 and name HG2#) 0.00 0  4.40
assign (resid 70 and name   HN) (resid 70 and name HG12) 0.00 0  3.70
assign (resid 70 and name   HN) (resid 70 and name HG11) 0.00 0  3.70
assign (resid 70 and name   HN) (resid 70 and name HG1#) 0.00 0  3.39
assign (resid 70 and name   HN) (resid 70 and name HD1#) 0.00 0  4.70
assign (resid 70 and name   HN) (resid 71 and name   HN) 0.00 0  3.00
assign (resid 70 and name   HA) (resid 70 and name HG12) 0.00 0  3.20
assign (resid 70 and name   HA) (resid 70 and name HG11) 0.00 0  3.20
assign (resid 70 and name   HA) (resid 70 and name HD1#) 0.00 0  3.90
assign (resid 70 and name   HA) (resid 71 and name   HN) 0.00 0  3.40
assign (resid 70 and name   HA) (resid 73 and name   HN) 0.00 0  3.50
assign (resid 70 and name   HA) (resid 73 and name  HB#) 0.00 0  4.38
assign (resid 70 and name   HA) (resid 74 and name   HN) 0.00 0  3.90
assign (resid 70 and name HG2#) (resid 71 and name   HN) 0.00 0  4.10
assign (resid 70 and name HG1#) (resid 71 and name   HN) 0.00 0  6.48
assign (resid 70 and name HD1#) (resid 71 and name  HD2) 0.00 0  6.20
!71 HIS
assign (resid 71 and name   HN) (resid 71 and name   HA) 0.00 0  2.90
assign (resid 71 and name   HA) (resid 71 and name  HD2) 0.00 0  4.70
assign (resid 71 and name   HA) (resid 72 and name   HN) 0.00 0  3.50
assign (resid 71 and name   HA) (resid 74 and name   HB) 0.00 0  3.40
assign (resid 71 and name   HA) (resid 74 and name HD1#) 0.00 0  5.00
assign (resid 71 and name   HA) (resid 75 and name   HN) 0.00 0  4.00
assign (resid 71 and name  HB#) (resid 72 and name   HN) 0.00 0  4.70
assign (resid 71 and name  HD2) (resid 74 and name HG2#) 0.00 0  6.20
assign (resid 71 and name  HD2) (resid 74 and name HD1#) 0.00 0  7.60
!72 PHE
assign (resid 72 and name   HN) (resid 72 and name   HA) 0.00 0  2.90
assign (resid 72 and name   HN) (resid 73 and name   HN) 0.00 0  2.90
assign (resid 72 and name   HN) (resid 73 and name   HA) 0.00 0  4.70
assign (resid 72 and name   HN) (resid 73 and name  HB2) 0.00 0  4.90
assign (resid 72 and name   HN) (resid 73 and name  HB1) 0.00 0  4.90
assign (resid 72 and name   HN) (resid 73 and name  HB#) 0.00 0  4.67
assign (resid 72 and name   HA) (resid 72 and name  HE#) 0.00 0  5.10
assign (resid 72 and name  HD#) (resid 73 and name   HN) 0.00 0  8.00
!73 ARG
assign (resid 73 and name   HN) (resid 73 and name   HA) 0.00 0  2.90
assign (resid 73 and name   HN) (resid 73 and name  HB2) 0.00 0  3.90
assign (resid 73 and name   HN) (resid 73 and name  HB1) 0.00 0  3.90
assign (resid 73 and name   HN) (resid 73 and name  HB#) 0.00 0  3.55
assign (resid 73 and name   HN) (resid 73 and name  HG#) 0.00 0  5.50
assign (resid 73 and name   HN) (resid 73 and name  HD#) 0.00 0  7.60
assign (resid 73 and name   HN) (resid 74 and name   HN) 0.00 0  3.10
assign (resid 73 and name   HN) (resid 75 and name   HN) 0.00 0  3.90
assign (resid 73 and name  HB#) (resid 73 and name   HE) 0.00 0  5.78
assign (resid 73 and name  HB#) (resid 74 and name   HN) 0.00 0  4.38
!74 ILE
assign (resid 74 and name   HN) (resid 74 and name   HA) 0.00 0  2.90
assign (resid 74 and name   HN) (resid 74 and name   HB) 0.00 0  3.40
assign (resid 74 and name   HN) (resid 74 and name HG2#) 0.00 0  4.60
assign (resid 74 and name   HN) (resid 74 and name HG12) 0.00 0  3.60
assign (resid 74 and name   HN) (resid 74 and name HG11) 0.00 0  3.60
assign (resid 74 and name   HN) (resid 74 and name HD1#) 0.00 0  5.40
assign (resid 74 and name   HN) (resid 75 and name   HN) 0.00 0  3.60
assign (resid 74 and name   HA) (resid 74 and name HG12) 0.00 0  3.20
assign (resid 74 and name   HA) (resid 74 and name HG11) 0.00 0  3.20
assign (resid 74 and name   HA) (resid 74 and name HD1#) 0.00 0  4.70
assign (resid 74 and name   HA) (resid 77 and name  HB#) 0.00 0  4.48
assign (resid 74 and name   HB) (resid 75 and name   HN) 0.00 0  3.70
assign (resid 74 and name HG2#) (resid 75 and name   HN) 0.00 0  5.20
!75 GLY
assign (resid 75 and name   HN) (resid 76 and name   HN) 0.00 0  3.20
assign (resid 75 and name  HA#) (resid 77 and name   HN) 0.00 0  4.60
assign (resid 75 and name  HA#) (resid 78 and name   HN) 0.00 0  5.00
!76 CYS
assign (resid 76 and name   HN) (resid 76 and name  HB2) 0.00 0  3.70
assign (resid 76 and name   HN) (resid 76 and name  HB1) 0.00 0  3.70
assign (resid 76 and name   HN) (resid 77 and name   HN) 0.00 0  3.30
assign (resid 76 and name   HA) (resid 77 and name   HN) 0.00 0  3.00
assign (resid 76 and name  HB2) (resid 77 and name   HN) 0.00 0  4.10
assign (resid 76 and name  HB1) (resid 77 and name   HN) 0.00 0  4.10
!77 ARG
assign (resid 77 and name   HN) (resid 77 and name  HB2) 0.00 0  4.00
assign (resid 77 and name   HN) (resid 77 and name  HB1) 0.00 0  4.00
assign (resid 77 and name   HN) (resid 77 and name  HB#) 0.00 0  3.61
assign (resid 77 and name   HN) (resid 77 and name  HG#) 0.00 0  5.90
assign (resid 77 and name   HN) (resid 77 and name  HD#) 0.00 0  6.60
assign (resid 77 and name   HN) (resid 78 and name   HN) 0.00 0  3.10
assign (resid 77 and name   HN) (resid 79 and name   HN) 0.00 0  4.20
assign (resid 77 and name   HA) (resid 77 and name  HD#) 0.00 0  5.60
assign (resid 77 and name   HA) (resid 78 and name   HN) 0.00 0  3.40
assign (resid 77 and name   HA) (resid 80 and name   HN) 0.00 0  3.50
assign (resid 77 and name  HB2) (resid 78 and name   HN) 0.00 0  3.90
assign (resid 77 and name  HB1) (resid 78 and name   HN) 0.00 0  3.90
!78 HIS
assign (resid 78 and name   HN) (resid 78 and name  HB2) 0.00 0  3.50
assign (resid 78 and name   HN) (resid 78 and name  HB1) 0.00 0  3.50
assign (resid 78 and name   HN) (resid 78 and name  HD2) 0.00 0  5.80
assign (resid 78 and name   HN) (resid 79 and name   HN) 0.00 0  3.70
assign (resid 78 and name   HA) (resid 78 and name  HD2) 0.00 0  5.00
assign (resid 78 and name   HA) (resid 79 and name   HN) 0.00 0  3.50
assign (resid 78 and name  HB2) (resid 79 and name   HN) 0.00 0  4.10
assign (resid 78 and name  HB1) (resid 79 and name   HN) 0.00 0  4.10
assign (resid 78 and name  HB#) (resid 79 and name   HN) 0.00 0  3.90
assign (resid 78 and name  HD2) (resid 80 and name   HA) 0.00 0  4.90
assign (resid 78 and name  HD2) (resid 81 and name HD1#) 0.00 0  4.10
!79 SER
assign (resid 79 and name   HN) (resid 79 and name  HB2) 0.00 0  3.70
assign (resid 79 and name   HN) (resid 79 and name  HB1) 0.00 0  3.70
assign (resid 79 and name   HN) (resid 80 and name   HN) 0.00 0  3.40
assign (resid 79 and name   HA) (resid 80 and name   HN) 0.00 0  2.90
!80 ARG
assign (resid 80 and name   HN) (resid 80 and name  HB2) 0.00 0  3.50
assign (resid 80 and name   HN) (resid 80 and name  HB1) 0.00 0  3.50
assign (resid 80 and name   HN) (resid 80 and name  HG#) 0.00 0  5.10
assign (resid 80 and name   HN) (resid 81 and name   HN) 0.00 0  3.10
assign (resid 80 and name   HA) (resid 81 and name   HN) 0.00 0  2.90
!81 ILE
assign (resid 81 and name   HN) (resid 81 and name   HB) 0.00 0  3.40
assign (resid 81 and name   HN) (resid 81 and name HG12) 0.00 0  4.10
assign (resid 81 and name   HN) (resid 81 and name HG11) 0.00 0  4.10
assign (resid 81 and name   HN) (resid 81 and name HD1#) 0.00 0  7.00
assign (resid 81 and name   HN) (resid 82 and name   HN) 0.00 0  3.10
assign (resid 81 and name   HA) (resid 81 and name HG12) 0.00 0  3.90
assign (resid 81 and name   HA) (resid 81 and name HG11) 0.00 0  3.90
assign (resid 81 and name   HA) (resid 81 and name HG1#) 0.00 0  3.50
assign (resid 81 and name   HA) (resid 81 and name HD1#) 0.00 0  4.00
assign (resid 81 and name   HA) (resid 82 and name   HN) 0.00 0  3.20
assign (resid 81 and name HG2#) (resid 82 and name   HN) 0.00 0  4.70
!82 GLY
assign (resid 82 and name   HN) (resid 82 and name  HA1) 0.00 0  2.90
assign (resid 82 and name   HN) (resid 82 and name  HA2) 0.00 0  2.90
assign (resid 82 and name   HN) (resid 83 and name   HN) 0.00 0  3.30
assign (resid 82 and name  HA1) (resid 83 and name   HN) 0.00 0  3.40
assign (resid 82 and name  HA2) (resid 83 and name   HN) 0.00 0  3.40
assign (resid 82 and name  HA#) (resid 83 and name   HN) 0.00 0  3.18
!83 VAL
assign (resid 83 and name   HN) (resid 83 and name   HA) 0.00 0  2.90
assign (resid 83 and name   HN) (resid 83 and name   HB) 0.00 0  3.00
assign (resid 83 and name   HN) (resid 83 and name HG1#) 0.00 0  4.30
assign (resid 83 and name   HN) (resid 83 and name HG2#) 0.00 0  4.30
assign (resid 83 and name   HN) (resid 83 and name  HG#) 0.00 0  3.85
assign (resid 83 and name   HN) (resid 84 and name   HN) 0.00 0  3.20
assign (resid 83 and name   HA) (resid 84 and name   HN) 0.00 0  3.40
assign (resid 83 and name   HB) (resid 84 and name   HN) 0.00 0  3.90
assign (resid 83 and name  HG#) (resid 84 and name   HN) 0.00 0  6.96
!84 THR
assign (resid 84 and name   HN) (resid 85 and name   HN) 0.00 0  3.50
assign (resid 84 and name   HB) (resid 85 and name   HN) 0.00 0  4.10
assign (resid 84 and name HG2#) (resid 85 and name   HN) 0.00 0  7.20
!85 ARG
assign (resid 85 and name   HN) (resid 85 and name   HA) 0.00 0  2.90
assign (resid 85 and name   HN) (resid 85 and name  HB2) 0.00 0  3.70
assign (resid 85 and name   HN) (resid 85 and name  HB1) 0.00 0  3.70
assign (resid 85 and name   HN) (resid 85 and name  HG#) 0.00 0  6.00
assign (resid 85 and name   HA) (resid 86 and name   HN) 0.00 0  2.90


restraints dihedral

      assign (resid 59 and name c) (resid 60 and name n)
             (resid 60 and name ca) (resid 60 and name c)  1  -60.0   40.0  2
      assign (resid 60 and name c) (resid 61 and name n)
             (resid 61 and name ca) (resid 61 and name c)  1  -60.0   40.0  2
      assign (resid 63 and name c) (resid 64 and name n)
             (resid 64 and name ca) (resid 64 and name c)  1  -60.0   40.0  2
      assign (resid 64 and name c) (resid 65 and name n)
             (resid 65 and name ca) (resid 65 and name c)  1  -60.0   40.0  2
      assign (resid 66 and name c) (resid 67 and name n)
             (resid 67 and name ca) (resid 67 and name c)  1  -60.0   40.0  2
      assign (resid 67 and name c) (resid 68 and name n)
             (resid 68 and name ca) (resid 68 and name c)  1  -60.0   40.0  2
      assign (resid 68 and name c) (resid 69 and name n)
             (resid 69 and name ca) (resid 69 and name c)  1  -60.0   40.0  2
      assign (resid 69 and name c) (resid 70 and name n)
             (resid 70 and name ca) (resid 70 and name c)  1  -60.0   40.0  2
      assign (resid 70 and name c) (resid 71 and name n)
             (resid 71 and name ca) (resid 71 and name c)  1  -60.0   30.0  2
      assign (resid 72 and name c) (resid 73 and name n)
             (resid 73 and name ca) (resid 73 and name c)  1  -60.0   40.0  2
      assign (resid 73 and name c) (resid 74 and name n)
             (resid 74 and name ca) (resid 74 and name c)  1  -60.0   40.0  2
      assign (resid 76 and name c) (resid 77 and name n)
             (resid 77 and name ca) (resid 77 and name c)  1  -60.0   40.0  2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA  59          3H        ALA  59   5.279   3.076   0.880
    2   2H    ALA  59          2H        ALA  59   5.029   3.042   2.550
    3   3H    ALA  59          1H        ALA  59   5.524   1.634   1.748
    4    HA   ALA  59           HA       ALA  59   3.425   1.045   1.409
    5   1HB   ALA  59          3HB       ALA  59   3.005   2.260   3.561
    6   2HB   ALA  59          2HB       ALA  59   2.731   3.748   2.663
    7   3HB   ALA  59          1HB       ALA  59   1.627   2.398   2.484
    8    H    ILE  60           H        ILE  60   4.733   2.205  -0.740
    9    HA   ILE  60           HA       ILE  60   3.326   4.227  -2.151
   10    HB   ILE  60           HB       ILE  60   5.552   3.271  -2.836
   11   1HG1  ILE  60          2HG1      ILE  60   5.162   3.124  -5.302
   12   2HG1  ILE  60          1HG1      ILE  60   3.437   3.123  -5.021
   13   1HG2  ILE  60          3HG2      ILE  60   3.981   0.825  -3.732
   14   2HG2  ILE  60          2HG2      ILE  60   5.671   1.127  -4.068
   15   3HG2  ILE  60          1HG2      ILE  60   5.155   0.883  -2.417
   16   1HD1  ILE  60          1HD1      ILE  60   5.390   5.322  -4.186
   17   2HD1  ILE  60          3HD1      ILE  60   4.271   5.415  -5.526
   18   3HD1  ILE  60          2HD1      ILE  60   3.658   5.379  -3.887
   19    H    ILE  61           H        ILE  61   2.530   0.864  -1.738
   20    HA   ILE  61           HA       ILE  61   0.510   0.958  -3.684
   21    HB   ILE  61           HB       ILE  61  -0.196  -1.208  -2.297
   22   1HG1  ILE  61          2HG1      ILE  61   1.493  -0.561  -0.443
   23   2HG1  ILE  61          1HG1      ILE  61   1.297  -2.210  -0.968
   24   1HG2  ILE  61          3HG2      ILE  61   2.238  -1.035  -4.118
   25   2HG2  ILE  61          2HG2      ILE  61   1.402  -2.528  -3.714
   26   3HG2  ILE  61          1HG2      ILE  61   0.571  -1.266  -4.606
   27   1HD1  ILE  61          3HD1      ILE  61   3.535  -0.434  -2.049
   28   2HD1  ILE  61          2HD1      ILE  61   3.708  -1.597  -0.756
   29   3HD1  ILE  61          1HD1      ILE  61   3.272  -2.118  -2.370
   30    H    ARG  62           H        ARG  62   0.521   2.711  -1.194
   31    HA   ARG  62           HA       ARG  62  -2.368   2.572  -0.665
   32   1HB   ARG  62          2HB       ARG  62  -0.157   3.200   1.387
   33   2HB   ARG  62          1HB       ARG  62  -1.867   3.284   1.725
   34   1HG   ARG  62          2HG       ARG  62  -0.403   0.721   0.950
   35   2HG   ARG  62          1HG       ARG  62  -0.728   1.197   2.601
   36   1HD   ARG  62          2HD       ARG  62  -2.883   0.646   0.494
   37   2HD   ARG  62          1HD       ARG  62  -2.436  -0.426   1.805
   38    HE   ARG  62           HE       ARG  62  -4.358   1.534   2.082
   39   1HH1  ARG  62          2HH1      ARG  62  -3.041   3.582   3.186
   40   2HH1  ARG  62          1HH1      ARG  62  -2.672   3.177   4.827
   41   1HH2  ARG  62          1HH2      ARG  62  -3.133  -0.264   4.270
   42   2HH2  ARG  62          2HH2      ARG  62  -2.713   0.918   5.454
   43    H    ILE  63           H        ILE  63   0.576   4.464  -0.529
   44    HA   ILE  63           HA       ILE  63  -0.636   6.903  -0.282
   45    HB   ILE  63           HB       ILE  63   1.877   5.889  -1.567
   46   1HG1  ILE  63          2HG1      ILE  63   0.892   6.735   1.148
   47   2HG1  ILE  63          1HG1      ILE  63   2.110   5.569   0.706
   48   1HG2  ILE  63          1HG2      ILE  63   1.090   8.763  -1.156
   49   2HG2  ILE  63          3HG2      ILE  63   2.686   8.165  -1.639
   50   3HG2  ILE  63          2HG2      ILE  63   1.313   7.944  -2.705
   51   1HD1  ILE  63          2HD1      ILE  63   3.691   7.395   0.262
   52   2HD1  ILE  63          1HD1      ILE  63   2.433   8.560   0.697
   53   3HD1  ILE  63          3HD1      ILE  63   3.047   7.442   1.908
   54    H    LEU  64           H        LEU  64   0.353   5.280  -3.313
   55    HA   LEU  64           HA       LEU  64  -0.853   7.275  -5.014
   56   1HB   LEU  64          2HB       LEU  64  -0.566   4.316  -5.749
   57   2HB   LEU  64          1HB       LEU  64  -0.668   5.667  -6.839
   58    HG   LEU  64           HG       LEU  64   1.656   5.108  -4.947
   59   1HD1  LEU  64          2HD1      LEU  64   1.403   4.941  -7.983
   60   2HD1  LEU  64          1HD1      LEU  64   2.881   4.686  -7.082
   61   3HD1  LEU  64          3HD1      LEU  64   1.542   3.578  -6.886
   62   1HD2  LEU  64          1HD2      LEU  64   1.323   7.329  -7.030
   63   2HD2  LEU  64          3HD2      LEU  64   1.324   7.573  -5.290
   64   3HD2  LEU  64          2HD2      LEU  64   2.773   7.018  -6.095
   65    H    GLN  65           H        GLN  65  -1.997   4.444  -3.470
   66    HA   GLN  65           HA       GLN  65  -4.482   4.193  -4.819
   67   1HB   GLN  65          2HB       GLN  65  -3.451   3.275  -2.129
   68   2HB   GLN  65          1HB       GLN  65  -5.065   2.939  -2.659
   69   1HG   GLN  65          2HG       GLN  65  -3.400   1.067  -3.265
   70   2HG   GLN  65          1HG       GLN  65  -4.251   1.711  -4.643
   71   1HE2  GLN  65          2HE2      GLN  65  -0.355   2.981  -4.321
   72   2HE2  GLN  65          1HE2      GLN  65  -1.305   2.945  -2.919
   73    H    GLN  66           H        GLN  66  -3.466   6.522  -2.437
   74    HA   GLN  66           HA       GLN  66  -6.173   6.967  -1.531
   75   1HB   GLN  66          2HB       GLN  66  -3.528   8.522  -1.492
   76   2HB   GLN  66          1HB       GLN  66  -4.969   9.415  -1.188
   77   1HG   GLN  66          2HG       GLN  66  -5.423   7.860   0.801
   78   2HG   GLN  66          1HG       GLN  66  -3.855   7.118   0.498
   79   1HE2  GLN  66          2HE2      GLN  66  -2.211  10.369   1.264
   80   2HE2  GLN  66          1HE2      GLN  66  -2.216   9.289  -0.056
   81    H    LEU  67           H        LEU  67  -4.271   7.822  -4.213
   82    HA   LEU  67           HA       LEU  67  -6.192   9.811  -5.174
   83   1HB   LEU  67          2HB       LEU  67  -3.711   8.610  -6.472
   84   2HB   LEU  67          1HB       LEU  67  -4.706   9.861  -7.180
   85    HG   LEU  67           HG       LEU  67  -4.338  11.083  -4.846
   86   1HD1  LEU  67          1HD1      LEU  67  -1.905   9.277  -4.921
   87   2HD1  LEU  67          3HD1      LEU  67  -2.111  10.668  -3.872
   88   3HD1  LEU  67          2HD1      LEU  67  -3.135   9.275  -3.678
   89   1HD2  LEU  67          2HD2      LEU  67  -3.589  11.947  -7.014
   90   2HD2  LEU  67          1HD2      LEU  67  -2.364  12.228  -5.795
   91   3HD2  LEU  67          3HD2      LEU  67  -2.158  10.928  -6.959
   92    H    LEU  68           H        LEU  68  -4.963   6.603  -6.074
   93    HA   LEU  68           HA       LEU  68  -6.861   6.217  -8.219
   94   1HB   LEU  68          2HB       LEU  68  -6.003   3.913  -6.384
   95   2HB   LEU  68          1HB       LEU  68  -6.412   3.826  -8.078
   96    HG   LEU  68           HG       LEU  68  -3.978   5.091  -6.870
   97   1HD1  LEU  68          1HD1      LEU  68  -3.950   2.601  -6.968
   98   2HD1  LEU  68          3HD1      LEU  68  -4.310   2.649  -8.682
   99   3HD1  LEU  68          2HD1      LEU  68  -2.770   3.247  -8.080
  100   1HD2  LEU  68          1HD2      LEU  68  -4.747   4.886  -9.830
  101   2HD2  LEU  68          3HD2      LEU  68  -4.632   6.378  -8.910
  102   3HD2  LEU  68          2HD2      LEU  68  -3.192   5.447  -9.243
  103    H    PHE  69           H        PHE  69  -7.103   5.973  -4.770
  104    HA   PHE  69           HA       PHE  69  -9.490   4.474  -4.576
  105   1HB   PHE  69          2HB       PHE  69  -8.089   6.289  -2.769
  106   2HB   PHE  69          1HB       PHE  69  -9.747   6.798  -2.809
  107    HD1  PHE  69           HD1      PHE  69 -11.572   5.280  -2.116
  108    HD2  PHE  69           HD2      PHE  69  -7.486   4.073  -1.868
  109    HE1  PHE  69           HE1      PHE  69 -12.205   3.422  -0.645
  110    HE2  PHE  69           HE2      PHE  69  -8.134   2.211  -0.392
  111    HZ   PHE  69           HZ       PHE  69 -10.505   1.889   0.212
  112    H    ILE  70           H        ILE  70  -9.015   7.793  -5.346
  113    HA   ILE  70           HA       ILE  70 -11.717   8.657  -5.517
  114    HB   ILE  70           HB       ILE  70  -9.335   9.773  -6.853
  115   1HG1  ILE  70          2HG1      ILE  70  -8.891   9.767  -4.479
  116   2HG1  ILE  70          1HG1      ILE  70  -9.687  11.275  -4.846
  117   1HG2  ILE  70          1HG2      ILE  70 -12.060  10.986  -6.167
  118   2HG2  ILE  70          3HG2      ILE  70 -10.684  11.850  -6.832
  119   3HG2  ILE  70          2HG2      ILE  70 -11.496  10.633  -7.791
  120   1HD1  ILE  70          3HD1      ILE  70 -11.808  10.621  -3.977
  121   2HD1  ILE  70          2HD1      ILE  70 -11.203   9.008  -3.608
  122   3HD1  ILE  70          1HD1      ILE  70 -10.560  10.391  -2.765
  123    H    HIS  71           H        HIS  71  -9.505   7.715  -8.023
  124    HA   HIS  71           HA       HIS  71 -11.444   8.002 -10.171
  125   1HB   HIS  71          2HB       HIS  71  -8.842   6.413 -10.124
  126   2HB   HIS  71          1HB       HIS  71  -9.730   6.873 -11.572
  127    HD1  HIS  71           HD1      HIS  71  -7.016   8.003 -11.496
  128    HD2  HIS  71           HD2      HIS  71 -10.205   9.887  -9.587
  129    HE1  HIS  71           HE1      HIS  71  -6.475  10.419 -11.186
  130    H    PHE  72           H        PHE  72 -10.840   5.544  -7.910
  131    HA   PHE  72           HA       PHE  72 -12.094   3.421  -9.468
  132   1HB   PHE  72          2HB       PHE  72 -10.183   3.080  -7.772
  133   2HB   PHE  72          1HB       PHE  72 -11.295   3.555  -6.505
  134    HD1  PHE  72           HD2      PHE  72 -11.122   1.161  -9.381
  135    HD2  PHE  72           HD1      PHE  72 -12.457   1.840  -5.388
  136    HE1  PHE  72           HE2      PHE  72 -11.931  -1.148  -9.256
  137    HE2  PHE  72           HE1      PHE  72 -13.261  -0.480  -5.271
  138    HZ   PHE  72           HZ       PHE  72 -12.999  -1.974  -7.208
  139    H    ARG  73           H        ARG  73 -12.618   5.460  -6.667
  140    HA   ARG  73           HA       ARG  73 -15.174   4.555  -6.080
  141   1HB   ARG  73          2HB       ARG  73 -13.878   6.057  -4.549
  142   2HB   ARG  73          1HB       ARG  73 -14.098   7.393  -5.662
  143   1HG   ARG  73          2HG       ARG  73 -16.602   7.187  -5.365
  144   2HG   ARG  73          1HG       ARG  73 -16.339   5.894  -4.211
  145   1HD   ARG  73          2HD       ARG  73 -15.039   7.501  -2.782
  146   2HD   ARG  73          1HD       ARG  73 -15.415   8.780  -3.935
  147    HE   ARG  73           HE       ARG  73 -17.883   7.580  -3.171
  148   1HH1  ARG  73          2HH1      ARG  73 -16.719   7.427  -0.538
  149   2HH1  ARG  73          1HH1      ARG  73 -16.989   8.995   0.137
  150   1HH2  ARG  73          1HH2      ARG  73 -17.603  10.457  -2.981
  151   2HH2  ARG  73          2HH2      ARG  73 -17.525  10.758  -1.282
  152    H    ILE  74           H        ILE  74 -14.408   7.590  -7.737
  153    HA   ILE  74           HA       ILE  74 -17.041   8.202  -8.583
  154    HB   ILE  74           HB       ILE  74 -14.355   8.851  -9.915
  155   1HG1  ILE  74          2HG1      ILE  74 -16.018  10.312  -7.780
  156   2HG1  ILE  74          1HG1      ILE  74 -14.486   9.519  -7.497
  157   1HG2  ILE  74          3HG2      ILE  74 -16.320   9.323 -11.403
  158   2HG2  ILE  74          2HG2      ILE  74 -17.044  10.297 -10.137
  159   3HG2  ILE  74          1HG2      ILE  74 -15.538  10.797 -10.892
  160   1HD1  ILE  74          1HD1      ILE  74 -13.376  11.112  -9.053
  161   2HD1  ILE  74          3HD1      ILE  74 -14.906  11.951  -9.271
  162   3HD1  ILE  74          2HD1      ILE  74 -14.144  11.919  -7.698
  163    H    GLY  75           H        GLY  75 -14.824   5.897  -9.797
  164   1HA   GLY  75          2HA       GLY  75 -16.094   5.526 -12.391
  165   2HA   GLY  75          1HA       GLY  75 -14.898   4.449 -11.654
  166    H    CYS  76           H        CYS  76 -15.847   3.384  -9.563
  167    HA   CYS  76           HA       CYS  76 -17.900   1.635 -10.339
  168   1HB   CYS  76          2HB       CYS  76 -17.091   2.347  -7.492
  169   2HB   CYS  76          1HB       CYS  76 -17.914   0.886  -7.964
  170    HG   CYS  76           HG       CYS  76 -14.898   1.364  -8.219
  171    H    ARG  77           H        ARG  77 -18.375   4.613  -9.559
  172    HA   ARG  77           HA       ARG  77 -21.003   4.361  -8.254
  173   1HB   ARG  77          2HB       ARG  77 -19.380   6.757  -9.174
  174   2HB   ARG  77          1HB       ARG  77 -21.060   6.945  -8.704
  175   1HG   ARG  77          2HG       ARG  77 -20.556   5.891  -6.513
  176   2HG   ARG  77          1HG       ARG  77 -18.860   5.801  -6.936
  177   1HD   ARG  77          2HD       ARG  77 -18.873   8.337  -7.239
  178   2HD   ARG  77          1HD       ARG  77 -20.543   8.349  -6.692
  179    HE   ARG  77           HE       ARG  77 -18.386   8.447  -4.958
  180   1HH1  ARG  77          2HH1      ARG  77 -18.753   5.487  -4.839
  181   2HH1  ARG  77          1HH1      ARG  77 -19.855   5.291  -3.522
  182   1HH2  ARG  77          1HH2      ARG  77 -20.809   8.679  -3.594
  183   2HH2  ARG  77          2HH2      ARG  77 -21.069   7.163  -2.807
  184    H    HIS  78           H        HIS  78 -19.758   4.668 -11.445
  185    HA   HIS  78           HA       HIS  78 -21.883   5.831 -12.818
  186   1HB   HIS  78          2HB       HIS  78 -21.094   4.619 -14.739
  187   2HB   HIS  78          1HB       HIS  78 -19.712   5.143 -13.808
  188    HD1  HIS  78           HD1      HIS  78 -19.759   2.749 -15.839
  189    HD2  HIS  78           HD2      HIS  78 -19.917   2.466 -11.712
  190    HE1  HIS  78           HE1      HIS  78 -18.934   0.494 -15.151
  191    H    SER  79           H        SER  79 -21.844   2.857 -11.234
  192    HA   SER  79           HA       SER  79 -24.716   2.453 -11.634
  193   1HB   SER  79          2HB       SER  79 -23.913   1.528 -13.791
  194   2HB   SER  79          1HB       SER  79 -22.772   0.462 -12.981
  195    HG   SER  79           HG       SER  79 -24.701  -0.369 -11.836
  196    H    ARG  80           H        ARG  80 -22.956   2.803  -9.480
  197    HA   ARG  80           HA       ARG  80 -22.182   1.913  -7.443
  198   1HB   ARG  80          2HB       ARG  80 -24.633   2.520  -7.177
  199   2HB   ARG  80          1HB       ARG  80 -25.049   0.843  -7.490
  200   1HG   ARG  80          2HG       ARG  80 -23.687   0.133  -5.491
  201   2HG   ARG  80          1HG       ARG  80 -23.246   1.804  -5.217
  202   1HD   ARG  80          2HD       ARG  80 -25.529   2.396  -4.655
  203   2HD   ARG  80          1HD       ARG  80 -26.128   0.823  -5.184
  204    HE   ARG  80           HE       ARG  80 -24.670  -0.143  -3.324
  205   1HH1  ARG  80          2HH1      ARG  80 -23.272   1.784  -2.000
  206   2HH1  ARG  80          1HH1      ARG  80 -24.326   2.488  -0.830
  207   1HH2  ARG  80          1HH2      ARG  80 -27.199   1.280  -2.449
  208   2HH2  ARG  80          2HH2      ARG  80 -26.650   2.173  -1.076
  209    H    ILE  81           H        ILE  81 -20.957   0.449  -8.954
  210    HA   ILE  81           HA       ILE  81 -21.495  -2.335  -9.184
  211    HB   ILE  81           HB       ILE  81 -18.949  -0.650  -9.218
  212   1HG1  ILE  81          2HG1      ILE  81 -18.882  -1.106 -11.575
  213   2HG1  ILE  81          1HG1      ILE  81 -20.040  -2.412 -11.441
  214   1HG2  ILE  81          1HG2      ILE  81 -18.997  -3.644  -9.669
  215   2HG2  ILE  81          3HG2      ILE  81 -17.636  -2.571  -9.975
  216   3HG2  ILE  81          2HG2      ILE  81 -18.188  -2.834  -8.337
  217   1HD1  ILE  81          3HD1      ILE  81 -20.663   0.525 -10.996
  218   2HD1  ILE  81          2HD1      ILE  81 -21.030  -0.422 -12.435
  219   3HD1  ILE  81          1HD1      ILE  81 -21.827  -0.799 -10.923
  220    H    GLY  82           H        GLY  82 -20.572  -0.580  -6.600
  221   1HA   GLY  82          2HA       GLY  82 -19.091  -1.930  -4.780
  222   2HA   GLY  82          1HA       GLY  82 -20.538  -1.085  -4.271
  223    H    VAL  83           H        VAL  83 -22.070  -3.207  -5.874
  224    HA   VAL  83           HA       VAL  83 -22.714  -4.869  -3.676
  225    HB   VAL  83           HB       VAL  83 -23.211  -5.341  -6.663
  226   1HG1  VAL  83          3HG1      VAL  83 -24.758  -6.234  -4.216
  227   2HG1  VAL  83          2HG1      VAL  83 -25.228  -6.515  -5.889
  228   3HG1  VAL  83          1HG1      VAL  83 -23.775  -7.270  -5.238
  229   1HG2  VAL  83          3HG2      VAL  83 -24.876  -3.731  -4.665
  230   2HG2  VAL  83          2HG2      VAL  83 -23.975  -3.036  -5.999
  231   3HG2  VAL  83          1HG2      VAL  83 -25.340  -4.078  -6.320
  232    H    THR  84           H        THR  84 -20.656  -5.325  -6.390
  233    HA   THR  84           HA       THR  84 -18.530  -6.737  -5.722
  234    HB   THR  84           HB       THR  84 -19.788  -8.413  -4.233
  235    HG1  THR  84           HG1      THR  84 -18.277  -9.706  -4.860
  236   1HG2  THR  84          3HG2      THR  84 -20.915  -9.487  -6.890
  237   2HG2  THR  84          2HG2      THR  84 -21.162 -10.168  -5.296
  238   3HG2  THR  84          1HG2      THR  84 -21.902  -8.637  -5.706
  239    H    ARG  85           H        ARG  85 -21.299  -7.017  -7.789
  240    HA   ARG  85           HA       ARG  85 -20.164  -8.600  -9.860
  241   1HB   ARG  85          2HB       ARG  85 -22.285  -6.431  -9.980
  242   2HB   ARG  85          1HB       ARG  85 -21.858  -7.434 -11.354
  243   1HG   ARG  85          2HG       ARG  85 -22.341  -9.477  -9.834
  244   2HG   ARG  85          1HG       ARG  85 -23.024  -8.340  -8.684
  245   1HD   ARG  85          2HD       ARG  85 -24.811  -9.266 -10.147
  246   2HD   ARG  85          1HD       ARG  85 -24.620  -7.541 -10.449
  247    HE   ARG  85           HE       ARG  85 -23.326  -8.120 -12.486
  248   1HH1  ARG  85          1HH2      ARG  85 -22.867 -10.978 -11.482
  249   2HH1  ARG  85          2HH2      ARG  85 -23.853 -11.875 -12.583
  250   1HH2  ARG  85          2HH1      ARG  85 -25.560  -8.979 -13.629
  251   2HH2  ARG  85          1HH1      ARG  85 -25.440 -10.689 -13.859
  252    H    GLN  86           HN       GLN  86 -18.081  -7.975 -10.082
  253    HA   GLN  86           HA       GLN  86 -16.309  -7.105 -11.326
  254   1HB   GLN  86          2HB       GLN  86 -18.347  -5.214 -12.638
  255   2HB   GLN  86          1HB       GLN  86 -16.785  -5.667 -13.271
  256   1HG   GLN  86          2HG       GLN  86 -17.470  -7.983 -13.631
  257   2HG   GLN  86          1HG       GLN  86 -19.014  -7.717 -12.833
  258   1HE2  GLN  86          2HE2      GLN  86 -20.121  -5.591 -15.617
  259   2HE2  GLN  86          1HE2      GLN  86 -20.025  -5.444 -13.916
   
  No H/Q in entry =         259
  Start of MODEL    2
    1   1H    ALA  59          3H        ALA  59   5.682   5.052   1.510
    2   2H    ALA  59          2H        ALA  59   5.350   5.592   3.072
    3   3H    ALA  59          1H        ALA  59   5.800   3.979   2.824
    4    HA   ALA  59           HA       ALA  59   3.687   3.396   2.608
    5   1HB   ALA  59          3HB       ALA  59   3.266   5.309   4.154
    6   2HB   ALA  59          2HB       ALA  59   3.096   6.388   2.776
    7   3HB   ALA  59          1HB       ALA  59   1.932   5.102   3.031
    8    H    ILE  60           H        ILE  60   5.259   4.118   0.182
    9    HA   ILE  60           HA       ILE  60   3.714   5.355  -1.855
   10    HB   ILE  60           HB       ILE  60   5.633   2.950  -2.027
   11   1HG1  ILE  60          2HG1      ILE  60   7.253   4.567  -3.001
   12   2HG1  ILE  60          1HG1      ILE  60   6.113   5.871  -2.788
   13   1HG2  ILE  60          3HG2      ILE  60   4.540   4.614  -4.340
   14   2HG2  ILE  60          2HG2      ILE  60   5.768   3.374  -4.473
   15   3HG2  ILE  60          1HG2      ILE  60   4.138   2.936  -4.023
   16   1HD1  ILE  60          3HD1      ILE  60   7.368   4.258  -0.519
   17   2HD1  ILE  60          2HD1      ILE  60   7.846   5.863  -1.031
   18   3HD1  ILE  60          1HD1      ILE  60   6.272   5.634  -0.323
   19    H    ILE  61           H        ILE  61   3.680   1.973  -0.878
   20    HA   ILE  61           HA       ILE  61   1.651   1.367  -2.695
   21    HB   ILE  61           HB       ILE  61   1.364  -0.568  -0.731
   22   1HG1  ILE  61          2HG1      ILE  61   3.122   0.728   0.656
   23   2HG1  ILE  61          1HG1      ILE  61   3.192  -1.002   0.489
   24   1HG2  ILE  61          1HG2      ILE  61   3.479  -0.483  -2.911
   25   2HG2  ILE  61          3HG2      ILE  61   2.968  -1.940  -2.065
   26   3HG2  ILE  61          2HG2      ILE  61   1.825  -1.047  -3.055
   27   1HD1  ILE  61          1HD1      ILE  61   4.939   0.855  -1.239
   28   2HD1  ILE  61          3HD1      ILE  61   5.460   0.034   0.220
   29   3HD1  ILE  61          2HD1      ILE  61   4.962  -0.885  -1.179
   30    H    ARG  62           H        ARG  62   1.113   3.534  -0.628
   31    HA   ARG  62           HA       ARG  62  -1.708   2.788  -0.322
   32   1HB   ARG  62          2HB       ARG  62   0.111   4.053   1.836
   33   2HB   ARG  62          1HB       ARG  62  -1.625   3.939   1.998
   34   1HG   ARG  62          2HG       ARG  62  -1.278   1.352   1.672
   35   2HG   ARG  62          1HG       ARG  62   0.427   1.682   1.921
   36   1HD   ARG  62          2HD       ARG  62  -0.470   1.051   4.073
   37   2HD   ARG  62          1HD       ARG  62  -0.218   2.789   4.144
   38    HE   ARG  62           HE       ARG  62  -2.846   1.406   3.917
   39   1HH1  ARG  62          1HH2      ARG  62  -3.685   3.528   2.538
   40   2HH1  ARG  62          2HH2      ARG  62  -3.866   4.859   3.620
   41   1HH2  ARG  62          2HH1      ARG  62  -1.837   3.343   6.068
   42   2HH2  ARG  62          1HH1      ARG  62  -2.759   4.757   5.695
   43    H    ILE  63           H        ILE  63   0.718   5.329  -0.521
   44    HA   ILE  63           HA       ILE  63  -1.180   7.389  -0.645
   45    HB   ILE  63           HB       ILE  63   1.634   7.009  -1.617
   46   1HG1  ILE  63          2HG1      ILE  63   0.177   7.800   0.908
   47   2HG1  ILE  63          1HG1      ILE  63   1.708   7.003   0.706
   48   1HG2  ILE  63          2HG2      ILE  63  -0.037   9.512  -1.567
   49   2HG2  ILE  63          1HG2      ILE  63   1.699   9.417  -1.909
   50   3HG2  ILE  63          3HG2      ILE  63   0.547   8.681  -3.013
   51   1HD1  ILE  63          3HD1      ILE  63   2.749   9.155   0.137
   52   2HD1  ILE  63          2HD1      ILE  63   1.181   9.947   0.330
   53   3HD1  ILE  63          1HD1      ILE  63   1.956   9.197   1.717
   54    H    LEU  64           H        LEU  64   0.486   5.533  -3.265
   55    HA   LEU  64           HA       LEU  64  -0.858   6.851  -5.401
   56   1HB   LEU  64          2HB       LEU  64   0.293   4.045  -5.167
   57   2HB   LEU  64          1HB       LEU  64  -0.414   4.620  -6.653
   58    HG   LEU  64           HG       LEU  64   1.212   6.431  -6.842
   59   1HD1  LEU  64          1HD1      LEU  64   2.415   5.422  -4.215
   60   2HD1  LEU  64          3HD1      LEU  64   3.107   6.649  -5.256
   61   3HD1  LEU  64          2HD1      LEU  64   1.604   6.972  -4.435
   62   1HD2  LEU  64          2HD2      LEU  64   1.820   4.203  -7.709
   63   2HD2  LEU  64          1HD2      LEU  64   3.240   5.048  -7.127
   64   3HD2  LEU  64          3HD2      LEU  64   2.526   3.770  -6.161
   65    H    GLN  65           H        GLN  65  -1.813   4.232  -3.424
   66    HA   GLN  65           HA       GLN  65  -4.069   3.308  -4.898
   67   1HB   GLN  65          2HB       GLN  65  -3.310   3.226  -1.933
   68   2HB   GLN  65          1HB       GLN  65  -4.660   2.361  -2.599
   69   1HG   GLN  65          2HG       GLN  65  -2.571   0.907  -2.389
   70   2HG   GLN  65          1HG       GLN  65  -3.190   0.984  -4.022
   71   1HE2  GLN  65          2HE2      GLN  65   0.258   3.141  -3.378
   72   2HE2  GLN  65          1HE2      GLN  65  -0.968   3.222  -2.212
   73    H    GLN  66           H        GLN  66  -3.729   6.152  -3.004
   74    HA   GLN  66           HA       GLN  66  -6.567   6.340  -2.478
   75   1HB   GLN  66          2HB       GLN  66  -4.184   8.161  -2.163
   76   2HB   GLN  66          1HB       GLN  66  -5.808   8.717  -1.894
   77   1HG   GLN  66          2HG       GLN  66  -6.048   6.550  -0.363
   78   2HG   GLN  66          1HG       GLN  66  -4.288   6.535  -0.421
   79   1HE2  GLN  66          2HE2      GLN  66  -4.482   8.752   2.332
   80   2HE2  GLN  66          1HE2      GLN  66  -3.958   7.222   1.799
   81    H    LEU  67           H        LEU  67  -4.411   7.374  -4.984
   82    HA   LEU  67           HA       LEU  67  -6.256   9.301  -6.150
   83   1HB   LEU  67          2HB       LEU  67  -3.884   7.816  -7.365
   84   2HB   LEU  67          1HB       LEU  67  -4.822   9.033  -8.200
   85    HG   LEU  67           HG       LEU  67  -4.336  10.510  -6.049
   86   1HD1  LEU  67          1HD1      LEU  67  -2.005   8.574  -5.920
   87   2HD1  LEU  67          3HD1      LEU  67  -2.117  10.096  -5.056
   88   3HD1  LEU  67          2HD1      LEU  67  -3.215   8.800  -4.669
   89   1HD2  LEU  67          3HD2      LEU  67  -3.596  11.043  -8.321
   90   2HD2  LEU  67          2HD2      LEU  67  -2.331  11.410  -7.164
   91   3HD2  LEU  67          1HD2      LEU  67  -2.216   9.964  -8.158
   92    H    LEU  68           H        LEU  68  -5.305   5.993  -6.618
   93    HA   LEU  68           HA       LEU  68  -7.256   5.479  -8.716
   94   1HB   LEU  68          2HB       LEU  68  -6.074   3.411  -6.757
   95   2HB   LEU  68          1HB       LEU  68  -6.624   3.096  -8.389
   96    HG   LEU  68           HG       LEU  68  -4.198   4.822  -7.667
   97   1HD1  LEU  68          2HD1      LEU  68  -3.804   2.421  -7.236
   98   2HD1  LEU  68          1HD1      LEU  68  -4.312   2.030  -8.870
   99   3HD1  LEU  68          3HD1      LEU  68  -2.860   2.980  -8.599
  100   1HD2  LEU  68          3HD2      LEU  68  -5.205   3.907 -10.403
  101   2HD2  LEU  68          2HD2      LEU  68  -5.271   5.553  -9.792
  102   3HD2  LEU  68          1HD2      LEU  68  -3.724   4.798 -10.097
  103    H    PHE  69           H        PHE  69  -7.122   5.257  -5.264
  104    HA   PHE  69           HA       PHE  69  -9.591   3.958  -4.765
  105   1HB   PHE  69          2HB       PHE  69  -8.101   4.748  -2.849
  106   2HB   PHE  69          1HB       PHE  69  -8.581   6.403  -3.202
  107    HD1  PHE  69           HD2      PHE  69 -10.936   7.146  -2.805
  108    HD2  PHE  69           HD1      PHE  69  -9.616   3.232  -1.750
  109    HE1  PHE  69           HE2      PHE  69 -12.925   6.856  -1.403
  110    HE2  PHE  69           HE1      PHE  69 -11.615   2.950  -0.346
  111    HZ   PHE  69           HZ       PHE  69 -13.266   4.758  -0.166
  112    H    ILE  70           H        ILE  70  -8.958   7.343  -5.250
  113    HA   ILE  70           HA       ILE  70 -11.685   8.150  -5.289
  114    HB   ILE  70           HB       ILE  70  -9.193   9.362  -6.474
  115   1HG1  ILE  70          2HG1      ILE  70 -10.759   9.385  -3.872
  116   2HG1  ILE  70          1HG1      ILE  70  -9.033   9.401  -4.121
  117   1HG2  ILE  70          2HG2      ILE  70 -11.210  10.202  -7.748
  118   2HG2  ILE  70          1HG2      ILE  70 -11.942  10.658  -6.219
  119   3HG2  ILE  70          3HG2      ILE  70 -10.476  11.453  -6.774
  120   1HD1  ILE  70          3HD1      ILE  70  -9.175  11.745  -4.824
  121   2HD1  ILE  70          2HD1      ILE  70 -10.920  11.688  -4.526
  122   3HD1  ILE  70          1HD1      ILE  70  -9.803  11.464  -3.187
  123    H    HIS  71           H        HIS  71  -9.580   7.329  -7.950
  124    HA   HIS  71           HA       HIS  71 -11.615   7.747  -9.953
  125   1HB   HIS  71          2HB       HIS  71  -9.140   5.978 -10.053
  126   2HB   HIS  71          1HB       HIS  71 -10.111   6.411 -11.453
  127    HD1  HIS  71           HD1      HIS  71  -7.416   7.367 -11.791
  128    HD2  HIS  71           HD2      HIS  71 -10.140   9.535  -9.521
  129    HE1  HIS  71           HE1      HIS  71  -6.656   9.739 -11.643
  130    H    PHE  72           H        PHE  72 -11.073   4.989  -7.885
  131    HA   PHE  72           HA       PHE  72 -12.771   3.307  -9.590
  132   1HB   PHE  72          2HB       PHE  72 -10.597   2.478  -8.525
  133   2HB   PHE  72          1HB       PHE  72 -11.365   2.647  -6.961
  134    HD1  PHE  72           HD1      PHE  72 -12.258   1.142 -10.297
  135    HD2  PHE  72           HD2      PHE  72 -12.175   0.636  -6.064
  136    HE1  PHE  72           HE1      PHE  72 -13.184  -1.114 -10.547
  137    HE2  PHE  72           HE2      PHE  72 -13.104  -1.616  -6.321
  138    HZ   PHE  72           HZ       PHE  72 -13.612  -2.502  -8.560
  139    H    ARG  73           H        ARG  73 -12.667   4.917  -6.461
  140    HA   ARG  73           HA       ARG  73 -15.131   3.751  -5.640
  141   1HB   ARG  73          2HB       ARG  73 -13.235   5.172  -4.258
  142   2HB   ARG  73          1HB       ARG  73 -14.356   6.482  -4.541
  143   1HG   ARG  73          2HG       ARG  73 -14.967   3.754  -3.266
  144   2HG   ARG  73          1HG       ARG  73 -14.673   5.215  -2.362
  145   1HD   ARG  73          2HD       ARG  73 -17.002   5.075  -4.309
  146   2HD   ARG  73          1HD       ARG  73 -17.127   4.485  -2.673
  147    HE   ARG  73           HE       ARG  73 -16.507   7.325  -3.390
  148   1HH1  ARG  73          1HH2      ARG  73 -16.010   5.584  -0.779
  149   2HH1  ARG  73          2HH2      ARG  73 -17.196   6.272   0.282
  150   1HH2  ARG  73          2HH1      ARG  73 -18.764   7.967  -2.383
  151   2HH2  ARG  73          1HH1      ARG  73 -18.826   7.673  -0.681
  152    H    ILE  74           H        ILE  74 -14.155   6.691  -7.320
  153    HA   ILE  74           HA       ILE  74 -16.916   7.624  -7.531
  154    HB   ILE  74           HB       ILE  74 -14.343   8.520  -8.940
  155   1HG1  ILE  74          2HG1      ILE  74 -15.911   9.601  -6.541
  156   2HG1  ILE  74          1HG1      ILE  74 -14.322   8.877  -6.489
  157   1HG2  ILE  74          2HG2      ILE  74 -16.362   9.131 -10.291
  158   2HG2  ILE  74          1HG2      ILE  74 -17.057   9.913  -8.884
  159   3HG2  ILE  74          3HG2      ILE  74 -15.599  10.550  -9.625
  160   1HD1  ILE  74          3HD1      ILE  74 -13.449  10.748  -7.907
  161   2HD1  ILE  74          2HD1      ILE  74 -15.035  11.504  -7.859
  162   3HD1  ILE  74          1HD1      ILE  74 -14.123  11.308  -6.381
  163    H    GLY  75           H        GLY  75 -14.559   6.037  -9.651
  164   1HA   GLY  75          2HA       GLY  75 -16.013   5.972 -12.043
  165   2HA   GLY  75          1HA       GLY  75 -14.851   4.744 -11.566
  166    H    CYS  76           H        CYS  76 -16.021   3.394  -9.549
  167    HA   CYS  76           HA       CYS  76 -18.106   1.943 -10.963
  168   1HB   CYS  76          2HB       CYS  76 -16.938   1.657  -8.206
  169   2HB   CYS  76          1HB       CYS  76 -18.080   0.560  -8.912
  170    HG   CYS  76           HG       CYS  76 -15.074   0.704  -9.546
  171    H    ARG  77           H        ARG  77 -18.553   4.629  -9.655
  172    HA   ARG  77           HA       ARG  77 -20.962   4.043  -8.024
  173   1HB   ARG  77          2HB       ARG  77 -18.943   5.919  -7.714
  174   2HB   ARG  77          1HB       ARG  77 -20.193   6.892  -8.451
  175   1HG   ARG  77          2HG       ARG  77 -21.783   6.240  -6.665
  176   2HG   ARG  77          1HG       ARG  77 -20.576   5.179  -5.955
  177   1HD   ARG  77          2HD       ARG  77 -19.056   7.225  -5.702
  178   2HD   ARG  77          1HD       ARG  77 -20.432   8.220  -6.171
  179    HE   ARG  77           HE       ARG  77 -20.192   6.637  -3.666
  180   1HH1  ARG  77          1HH2      ARG  77 -22.943   6.424  -4.331
  181   2HH1  ARG  77          2HH2      ARG  77 -23.665   7.881  -3.724
  182   1HH2  ARG  77          2HH1      ARG  77 -20.578   9.522  -3.523
  183   2HH2  ARG  77          1HH1      ARG  77 -22.274   9.704  -3.241
  184    H    HIS  78           H        HIS  78 -19.968   5.710 -10.863
  185    HA   HIS  78           HA       HIS  78 -22.025   7.124 -11.859
  186   1HB   HIS  78          2HB       HIS  78 -21.203   6.684 -14.025
  187   2HB   HIS  78          1HB       HIS  78 -19.837   6.261 -13.029
  188    HD1  HIS  78           HD1      HIS  78 -21.768   4.920 -15.695
  189    HD2  HIS  78           HD2      HIS  78 -19.886   3.352 -12.322
  190    HE1  HIS  78           HE1      HIS  78 -21.412   2.477 -16.024
  191    H    SER  79           H        SER  79 -22.123   3.621 -11.771
  192    HA   SER  79           HA       SER  79 -25.060   3.687 -11.981
  193   1HB   SER  79          2HB       SER  79 -23.174   2.211 -13.881
  194   2HB   SER  79          1HB       SER  79 -24.896   1.936 -13.770
  195    HG   SER  79           HG       SER  79 -24.488   4.598 -13.886
  196    H    ARG  80           H        ARG  80 -23.071   3.204 -10.004
  197    HA   ARG  80           HA       ARG  80 -22.375   1.794  -8.355
  198   1HB   ARG  80          2HB       ARG  80 -24.789   2.331  -7.806
  199   2HB   ARG  80          1HB       ARG  80 -25.280   0.858  -8.619
  200   1HG   ARG  80          2HG       ARG  80 -24.023  -0.527  -6.983
  201   2HG   ARG  80          1HG       ARG  80 -23.319   0.906  -6.268
  202   1HD   ARG  80          2HD       ARG  80 -26.323   0.389  -6.244
  203   2HD   ARG  80          1HD       ARG  80 -25.240  -0.156  -4.969
  204    HE   ARG  80           HE       ARG  80 -25.008   2.700  -5.600
  205   1HH1  ARG  80          1HH2      ARG  80 -24.923   0.745  -3.043
  206   2HH1  ARG  80          2HH2      ARG  80 -26.082   1.554  -2.055
  207   1HH2  ARG  80          2HH1      ARG  80 -27.242   3.556  -4.673
  208   2HH2  ARG  80          1HH1      ARG  80 -27.425   3.170  -3.003
  209    H    ILE  81           H        ILE  81 -21.067   0.786  -9.917
  210    HA   ILE  81           HA       ILE  81 -21.689  -1.972 -10.696
  211    HB   ILE  81           HB       ILE  81 -19.474   0.051 -11.217
  212   1HG1  ILE  81          2HG1      ILE  81 -19.926  -0.432 -13.576
  213   2HG1  ILE  81          1HG1      ILE  81 -20.920  -1.799 -13.129
  214   1HG2  ILE  81          1HG2      ILE  81 -19.070  -2.898 -11.840
  215   2HG2  ILE  81          3HG2      ILE  81 -18.056  -1.578 -12.403
  216   3HG2  ILE  81          2HG2      ILE  81 -18.136  -1.951 -10.695
  217   1HD1  ILE  81          3HD1      ILE  81 -21.603   1.080 -12.464
  218   2HD1  ILE  81          2HD1      ILE  81 -22.289   0.141 -13.778
  219   3HD1  ILE  81          1HD1      ILE  81 -22.603  -0.321 -12.121
  220    H    GLY  82           H        GLY  82 -20.609  -0.533  -7.986
  221   1HA   GLY  82          2HA       GLY  82 -20.254  -2.883  -6.488
  222   2HA   GLY  82          1HA       GLY  82 -18.688  -2.553  -7.174
  223    H    VAL  83           H        VAL  83 -20.938  -0.318  -5.731
  224    HA   VAL  83           HA       VAL  83 -18.975   1.188  -4.375
  225    HB   VAL  83           HB       VAL  83 -21.341   1.799  -4.849
  226   1HG1  VAL  83          3HG1      VAL  83 -22.522  -0.260  -4.138
  227   2HG1  VAL  83          2HG1      VAL  83 -22.104   0.062  -2.466
  228   3HG1  VAL  83          1HG1      VAL  83 -23.145   1.162  -3.334
  229   1HG2  VAL  83          2HG2      VAL  83 -20.482   2.089  -1.953
  230   2HG2  VAL  83          1HG2      VAL  83 -20.047   3.149  -3.290
  231   3HG2  VAL  83          3HG2      VAL  83 -21.719   3.066  -2.739
  232    H    THR  84           H        THR  84 -20.272  -1.807  -3.657
  233    HA   THR  84           HA       THR  84 -19.016  -1.890  -0.925
  234    HB   THR  84           HB       THR  84 -21.206  -3.800  -1.967
  235    HG1  THR  84           HG1      THR  84 -21.171  -1.144  -1.303
  236   1HG2  THR  84          1HG2      THR  84 -19.994  -4.317   0.278
  237   2HG2  THR  84          3HG2      THR  84 -20.539  -2.745   0.849
  238   3HG2  THR  84          2HG2      THR  84 -21.712  -3.985   0.443
  239    H    ARG  85           H        ARG  85 -17.890  -2.444  -3.726
  240    HA   ARG  85           HA       ARG  85 -17.253  -5.274  -3.691
  241   1HB   ARG  85          2HB       ARG  85 -17.208  -3.911  -5.830
  242   2HB   ARG  85          1HB       ARG  85 -15.869  -2.977  -5.195
  243   1HG   ARG  85          2HG       ARG  85 -14.922  -4.702  -6.640
  244   2HG   ARG  85          1HG       ARG  85 -14.545  -5.135  -4.988
  245   1HD   ARG  85          2HD       ARG  85 -16.638  -6.673  -5.035
  246   2HD   ARG  85          1HD       ARG  85 -16.747  -6.327  -6.745
  247    HE   ARG  85           HE       ARG  85 -15.455  -8.448  -6.203
  248   1HH1  ARG  85          1HH2      ARG  85 -13.472  -6.791  -4.532
  249   2HH1  ARG  85          2HH2      ARG  85 -12.095  -6.809  -5.576
  250   1HH2  ARG  85          2HH1      ARG  85 -13.992  -7.869  -8.338
  251   2HH2  ARG  85          1HH1      ARG  85 -12.399  -7.451  -7.817
  252    H    GLN  86           HN       GLN  86 -16.636  -5.485  -1.654
  253    HA   GLN  86           HA       GLN  86 -14.935  -6.156  -0.188
  254   1HB   GLN  86          2HB       GLN  86 -13.157  -5.493  -1.963
  255   2HB   GLN  86          1HB       GLN  86 -13.186  -3.879  -1.287
  256   1HG   GLN  86          2HG       GLN  86 -11.310  -5.153  -0.375
  257   2HG   GLN  86          1HG       GLN  86 -12.418  -4.745   0.919
  258   1HE2  GLN  86          2HE2      GLN  86 -13.324  -8.153   1.462
  259   2HE2  GLN  86          1HE2      GLN  86 -13.801  -6.544   1.752
   
  No H/Q in entry =         259
  Start of MODEL    3
    1   1H    ALA  59          3H        ALA  59   4.577   4.190   1.359
    2   2H    ALA  59          2H        ALA  59   4.153   3.714   2.930
    3   3H    ALA  59          1H        ALA  59   5.549   3.081   2.201
    4    HA   ALA  59           HA       ALA  59   4.402   1.404   1.366
    5   1HB   ALA  59          2HB       ALA  59   1.975   2.821   2.515
    6   2HB   ALA  59          1HB       ALA  59   2.013   1.141   2.000
    7   3HB   ALA  59          3HB       ALA  59   2.971   1.660   3.377
    8    H    ILE  60           H        ILE  60   4.721   1.728  -0.802
    9    HA   ILE  60           HA       ILE  60   3.448   3.630  -2.478
   10    HB   ILE  60           HB       ILE  60   4.312   0.778  -3.213
   11   1HG1  ILE  60          2HG1      ILE  60   6.214   1.889  -2.105
   12   2HG1  ILE  60          1HG1      ILE  60   6.514   1.800  -3.818
   13   1HG2  ILE  60          1HG2      ILE  60   4.115   3.247  -4.988
   14   2HG2  ILE  60          3HG2      ILE  60   4.713   1.677  -5.479
   15   3HG2  ILE  60          2HG2      ILE  60   3.034   1.866  -5.027
   16   1HD1  ILE  60          2HD1      ILE  60   5.842   4.180  -4.103
   17   2HD1  ILE  60          1HD1      ILE  60   5.501   4.300  -2.383
   18   3HD1  ILE  60          3HD1      ILE  60   7.136   4.024  -2.936
   19    H    ILE  61           H        ILE  61   2.423   0.459  -1.490
   20    HA   ILE  61           HA       ILE  61   0.069   0.606  -3.071
   21    HB   ILE  61           HB       ILE  61  -0.479  -1.381  -1.260
   22   1HG1  ILE  61          2HG1      ILE  61   1.706  -0.827  -0.026
   23   2HG1  ILE  61          1HG1      ILE  61   1.291  -2.475  -0.396
   24   1HG2  ILE  61          1HG2      ILE  61   1.305  -1.643  -3.704
   25   2HG2  ILE  61          3HG2      ILE  61   0.488  -2.983  -2.910
   26   3HG2  ILE  61          2HG2      ILE  61  -0.447  -1.707  -3.665
   27   1HD1  ILE  61          3HD1      ILE  61   3.252  -0.893  -2.159
   28   2HD1  ILE  61          2HD1      ILE  61   3.706  -2.004  -0.884
   29   3HD1  ILE  61          1HD1      ILE  61   2.823  -2.574  -2.277
   30    H    ARG  62           H        ARG  62   0.523   2.744  -1.182
   31    HA   ARG  62           HA       ARG  62  -2.161   2.854  -0.047
   32   1HB   ARG  62          2HB       ARG  62  -0.006   2.146   1.627
   33   2HB   ARG  62          1HB       ARG  62   0.073   3.894   1.726
   34   1HG   ARG  62          2HG       ARG  62  -1.308   3.094   3.536
   35   2HG   ARG  62          1HG       ARG  62  -2.365   3.899   2.390
   36   1HD   ARG  62          2HD       ARG  62  -3.121   1.764   1.456
   37   2HD   ARG  62          1HD       ARG  62  -1.882   0.874   2.332
   38    HE   ARG  62           HE       ARG  62  -4.423   1.789   3.397
   39   1HH1  ARG  62          2HH1      ARG  62  -2.732   3.104   5.262
   40   2HH1  ARG  62          1HH1      ARG  62  -2.270   1.891   6.404
   41   1HH2  ARG  62          1HH2      ARG  62  -3.195  -0.709   4.216
   42   2HH2  ARG  62          2HH2      ARG  62  -2.554  -0.380   5.789
   43    H    ILE  63           H        ILE  63   0.922   4.523  -0.519
   44    HA   ILE  63           HA       ILE  63  -0.155   7.047  -0.453
   45    HB   ILE  63           HB       ILE  63   2.192   5.737  -1.790
   46   1HG1  ILE  63          2HG1      ILE  63   1.475   6.983   0.848
   47   2HG1  ILE  63          1HG1      ILE  63   2.622   5.730   0.474
   48   1HG2  ILE  63          3HG2      ILE  63   1.582   8.683  -1.717
   49   2HG2  ILE  63          2HG2      ILE  63   3.107   7.938  -2.236
   50   3HG2  ILE  63          1HG2      ILE  63   1.636   7.663  -3.154
   51   1HD1  ILE  63          2HD1      ILE  63   4.212   7.431  -0.326
   52   2HD1  ILE  63          1HD1      ILE  63   3.028   8.691   0.038
   53   3HD1  ILE  63          3HD1      ILE  63   3.703   7.727   1.342
   54    H    LEU  64           H        LEU  64   0.304   4.928  -3.324
   55    HA   LEU  64           HA       LEU  64  -0.962   6.849  -5.086
   56   1HB   LEU  64          2HB       LEU  64  -0.386   3.872  -5.469
   57   2HB   LEU  64          1HB       LEU  64  -1.084   4.868  -6.710
   58    HG   LEU  64           HG       LEU  64   1.300   4.608  -7.118
   59   1HD1  LEU  64          3HD1      LEU  64   0.300   6.761  -7.788
   60   2HD1  LEU  64          2HD1      LEU  64   0.698   7.464  -6.226
   61   3HD1  LEU  64          1HD1      LEU  64   1.973   6.975  -7.322
   62   1HD2  LEU  64          1HD2      LEU  64   2.104   4.227  -4.821
   63   2HD2  LEU  64          3HD2      LEU  64   3.020   5.495  -5.607
   64   3HD2  LEU  64          2HD2      LEU  64   1.809   5.913  -4.417
   65    H    GLN  65           H        GLN  65  -2.193   4.410  -3.043
   66    HA   GLN  65           HA       GLN  65  -4.618   3.799  -4.376
   67   1HB   GLN  65          2HB       GLN  65  -3.740   3.775  -1.456
   68   2HB   GLN  65          1HB       GLN  65  -5.336   3.287  -1.938
   69   1HG   GLN  65          2HG       GLN  65  -3.554   1.372  -1.822
   70   2HG   GLN  65          1HG       GLN  65  -4.559   1.439  -3.254
   71   1HE2  GLN  65          2HE2      GLN  65  -0.662   2.686  -3.677
   72   2HE2  GLN  65          1HE2      GLN  65  -1.473   3.008  -2.226
   73    H    GLN  66           H        GLN  66  -3.657   6.704  -2.816
   74    HA   GLN  66           HA       GLN  66  -6.292   7.591  -2.152
   75   1HB   GLN  66          2HB       GLN  66  -3.692   9.066  -2.757
   76   2HB   GLN  66          1HB       GLN  66  -5.126   9.796  -2.098
   77   1HG   GLN  66          2HG       GLN  66  -4.966   8.082  -0.165
   78   2HG   GLN  66          1HG       GLN  66  -3.352   7.705  -0.770
   79   1HE2  GLN  66          2HE2      GLN  66  -2.019  10.797   0.391
   80   2HE2  GLN  66          1HE2      GLN  66  -1.703   9.397  -0.540
   81    H    LEU  67           H        LEU  67  -4.381   7.565  -5.021
   82    HA   LEU  67           HA       LEU  67  -6.081   9.443  -6.477
   83   1HB   LEU  67          2HB       LEU  67  -3.917   7.553  -7.475
   84   2HB   LEU  67          1HB       LEU  67  -4.772   8.714  -8.466
   85    HG   LEU  67           HG       LEU  67  -4.008  10.451  -6.577
   86   1HD1  LEU  67          2HD1      LEU  67  -1.875   8.301  -6.343
   87   2HD1  LEU  67          1HD1      LEU  67  -1.779   9.912  -5.652
   88   3HD1  LEU  67          3HD1      LEU  67  -2.959   8.780  -5.050
   89   1HD2  LEU  67          1HD2      LEU  67  -2.114   9.381  -8.696
   90   2HD2  LEU  67          3HD2      LEU  67  -3.385  10.574  -8.943
   91   3HD2  LEU  67          2HD2      LEU  67  -2.011  10.955  -7.921
   92    H    LEU  68           H        LEU  68  -5.407   6.045  -6.296
   93    HA   LEU  68           HA       LEU  68  -7.368   5.217  -8.257
   94   1HB   LEU  68          2HB       LEU  68  -6.586   3.592  -5.757
   95   2HB   LEU  68          1HB       LEU  68  -7.104   2.948  -7.298
   96    HG   LEU  68           HG       LEU  68  -4.473   4.357  -6.714
   97   1HD1  LEU  68          3HD1      LEU  68  -4.577   2.001  -5.928
   98   2HD1  LEU  68          2HD1      LEU  68  -5.076   1.476  -7.523
   99   3HD1  LEU  68          1HD1      LEU  68  -3.473   2.143  -7.271
  100   1HD2  LEU  68          2HD2      LEU  68  -5.486   3.232  -9.369
  101   2HD2  LEU  68          1HD2      LEU  68  -5.222   4.933  -9.023
  102   3HD2  LEU  68          3HD2      LEU  68  -3.864   3.832  -9.080
  103    H    PHE  69           H        PHE  69  -7.448   5.965  -4.930
  104    HA   PHE  69           HA       PHE  69 -10.055   5.037  -4.275
  105   1HB   PHE  69          2HB       PHE  69  -8.480   5.955  -2.550
  106   2HB   PHE  69          1HB       PHE  69  -8.625   7.549  -3.267
  107    HD1  PHE  69           HD2      PHE  69 -10.379   4.987  -1.284
  108    HD2  PHE  69           HD1      PHE  69 -10.616   8.894  -2.968
  109    HE1  PHE  69           HE2      PHE  69 -12.345   5.481   0.117
  110    HE2  PHE  69           HE1      PHE  69 -12.571   9.381  -1.570
  111    HZ   PHE  69           HZ       PHE  69 -13.434   7.682  -0.026
  112    H    ILE  70           H        ILE  70  -8.942   7.947  -5.756
  113    HA   ILE  70           HA       ILE  70 -11.515   9.214  -5.982
  114    HB   ILE  70           HB       ILE  70  -8.910   9.718  -7.388
  115   1HG1  ILE  70          2HG1      ILE  70 -10.265  10.468  -4.782
  116   2HG1  ILE  70          1HG1      ILE  70  -8.584  10.174  -5.118
  117   1HG2  ILE  70          2HG2      ILE  70 -10.841  10.577  -8.734
  118   2HG2  ILE  70          1HG2      ILE  70 -11.454  11.408  -7.312
  119   3HG2  ILE  70          3HG2      ILE  70  -9.922  11.888  -8.038
  120   1HD1  ILE  70          1HD1      ILE  70  -8.427  12.328  -6.254
  121   2HD1  ILE  70          3HD1      ILE  70 -10.138  12.611  -5.898
  122   3HD1  ILE  70          2HD1      ILE  70  -8.983  12.489  -4.578
  123    H    HIS  71           H        HIS  71  -9.537   7.384  -8.192
  124    HA   HIS  71           HA       HIS  71 -11.403   7.611 -10.403
  125   1HB   HIS  71          2HB       HIS  71  -9.219   5.535  -9.898
  126   2HB   HIS  71          1HB       HIS  71 -10.037   5.780 -11.438
  127    HD1  HIS  71           HD1      HIS  71  -7.139   6.273 -11.609
  128    HD2  HIS  71           HD2      HIS  71  -9.767   9.240 -10.338
  129    HE1  HIS  71           HE1      HIS  71  -6.081   8.502 -11.932
  130    H    PHE  72           H        PHE  72 -11.169   5.337  -7.781
  131    HA   PHE  72           HA       PHE  72 -13.102   3.497  -8.958
  132   1HB   PHE  72          2HB       PHE  72 -11.081   2.811  -7.540
  133   2HB   PHE  72          1HB       PHE  72 -11.859   3.557  -6.164
  134    HD1  PHE  72           HD1      PHE  72 -12.015   0.760  -8.555
  135    HD2  PHE  72           HD2      PHE  72 -13.802   2.497  -5.095
  136    HE1  PHE  72           HE1      PHE  72 -13.235  -1.326  -8.138
  137    HE2  PHE  72           HE2      PHE  72 -15.020   0.410  -4.680
  138    HZ   PHE  72           HZ       PHE  72 -14.742  -1.507  -6.200
  139    H    ARG  73           H        ARG  73 -12.822   5.966  -6.418
  140    HA   ARG  73           HA       ARG  73 -15.437   5.429  -5.514
  141   1HB   ARG  73          2HB       ARG  73 -13.860   6.719  -4.090
  142   2HB   ARG  73          1HB       ARG  73 -13.820   8.019  -5.270
  143   1HG   ARG  73          2HG       ARG  73 -15.802   8.906  -4.565
  144   2HG   ARG  73          1HG       ARG  73 -16.588   7.353  -4.385
  145   1HD   ARG  73          2HD       ARG  73 -14.608   8.557  -2.403
  146   2HD   ARG  73          1HD       ARG  73 -16.352   8.521  -2.196
  147    HE   ARG  73           HE       ARG  73 -14.627   6.394  -1.519
  148   1HH1  ARG  73          1HH2      ARG  73 -15.133   4.504  -3.205
  149   2HH1  ARG  73          2HH2      ARG  73 -16.780   3.972  -3.071
  150   1HH2  ARG  73          2HH1      ARG  73 -17.737   6.874  -1.327
  151   2HH2  ARG  73          1HH1      ARG  73 -18.306   5.375  -1.975
  152    H    ILE  74           H        ILE  74 -14.143   7.877  -7.709
  153    HA   ILE  74           HA       ILE  74 -16.744   8.968  -8.381
  154    HB   ILE  74           HB       ILE  74 -14.052   9.072  -9.843
  155   1HG1  ILE  74          2HG1      ILE  74 -15.464  11.040  -7.973
  156   2HG1  ILE  74          1HG1      ILE  74 -14.035  10.112  -7.585
  157   1HG2  ILE  74          1HG2      ILE  74 -15.939   9.533 -11.424
  158   2HG2  ILE  74          3HG2      ILE  74 -16.541  10.767 -10.334
  159   3HG2  ILE  74          2HG2      ILE  74 -14.998  10.973 -11.148
  160   1HD1  ILE  74          2HD1      ILE  74 -12.789  11.290  -9.413
  161   2HD1  ILE  74          1HD1      ILE  74 -14.207  12.278  -9.725
  162   3HD1  ILE  74          3HD1      ILE  74 -13.385  12.401  -8.187
  163    H    GLY  75           H        GLY  75 -14.666   6.514  -9.831
  164   1HA   GLY  75          2HA       GLY  75 -16.315   6.090 -12.139
  165   2HA   GLY  75          1HA       GLY  75 -15.118   4.965 -11.522
  166    H    CYS  76           H        CYS  76 -16.049   4.047  -9.234
  167    HA   CYS  76           HA       CYS  76 -18.086   2.273 -10.009
  168   1HB   CYS  76          2HB       CYS  76 -17.007   3.023  -7.293
  169   2HB   CYS  76          1HB       CYS  76 -18.126   1.729  -7.515
  170    HG   CYS  76           HG       CYS  76 -16.299   0.265  -8.402
  171    H    ARG  77           H        ARG  77 -18.890   5.199  -9.657
  172    HA   ARG  77           HA       ARG  77 -21.294   4.764  -7.978
  173   1HB   ARG  77          2HB       ARG  77 -20.023   7.218  -9.179
  174   2HB   ARG  77          1HB       ARG  77 -21.709   7.301  -8.695
  175   1HG   ARG  77          2HG       ARG  77 -21.028   6.380  -6.428
  176   2HG   ARG  77          1HG       ARG  77 -19.355   6.525  -6.925
  177   1HD   ARG  77          2HD       ARG  77 -21.361   8.824  -6.834
  178   2HD   ARG  77          1HD       ARG  77 -20.122   8.503  -5.624
  179    HE   ARG  77           HE       ARG  77 -19.346   8.982  -8.476
  180   1HH1  ARG  77          2HH1      ARG  77 -17.480   8.469  -6.242
  181   2HH1  ARG  77          1HH1      ARG  77 -16.917  10.049  -5.796
  182   1HH2  ARG  77          1HH2      ARG  77 -19.604  11.568  -7.544
  183   2HH2  ARG  77          2HH2      ARG  77 -18.209  11.903  -6.577
  184    H    HIS  78           H        HIS  78 -20.559   5.119 -11.333
  185    HA   HIS  78           HA       HIS  78 -23.178   5.712 -12.239
  186   1HB   HIS  78          2HB       HIS  78 -22.428   4.999 -14.365
  187   2HB   HIS  78          1HB       HIS  78 -20.938   5.454 -13.601
  188    HD1  HIS  78           HD1      HIS  78 -22.486   2.677 -15.271
  189    HD2  HIS  78           HD2      HIS  78 -19.505   3.202 -12.432
  190    HE1  HIS  78           HE1      HIS  78 -21.108   0.589 -15.133
  191    H    SER  79           H        SER  79 -21.692   2.618 -11.533
  192    HA   SER  79           HA       SER  79 -24.036   1.363 -10.521
  193   1HB   SER  79          2HB       SER  79 -23.196   0.875 -13.395
  194   2HB   SER  79          1HB       SER  79 -23.846  -0.424 -12.438
  195    HG   SER  79           HG       SER  79 -25.219   2.027 -12.374
  196    H    ARG  80           H        ARG  80 -21.384   1.798  -9.608
  197    HA   ARG  80           HA       ARG  80 -19.454   0.716  -8.818
  198   1HB   ARG  80          2HB       ARG  80 -21.362  -0.108  -7.407
  199   2HB   ARG  80          1HB       ARG  80 -21.513  -1.470  -8.491
  200   1HG   ARG  80          2HG       ARG  80 -19.283  -2.314  -7.845
  201   2HG   ARG  80          1HG       ARG  80 -18.962  -0.851  -6.935
  202   1HD   ARG  80          2HD       ARG  80 -20.668  -1.414  -5.303
  203   2HD   ARG  80          1HD       ARG  80 -21.268  -2.739  -6.297
  204    HE   ARG  80           HE       ARG  80 -18.911  -3.741  -5.959
  205   1HH1  ARG  80          1HH2      ARG  80 -17.265  -2.606  -4.302
  206   2HH1  ARG  80          2HH2      ARG  80 -17.814  -2.811  -2.678
  207   1HH2  ARG  80          2HH1      ARG  80 -21.082  -3.580  -3.680
  208   2HH2  ARG  80          1HH1      ARG  80 -20.053  -3.372  -2.307
  209    H    ILE  81           H        ILE  81 -19.310   0.791 -11.391
  210    HA   ILE  81           HA       ILE  81 -18.542  -0.183 -13.379
  211    HB   ILE  81           HB       ILE  81 -16.960  -1.728 -11.340
  212   1HG1  ILE  81          2HG1      ILE  81 -16.847   0.644 -10.672
  213   2HG1  ILE  81          1HG1      ILE  81 -15.329   0.206 -11.393
  214   1HG2  ILE  81          3HG2      ILE  81 -16.406  -0.719 -14.164
  215   2HG2  ILE  81          2HG2      ILE  81 -15.199  -1.533 -13.162
  216   3HG2  ILE  81          1HG2      ILE  81 -16.630  -2.389 -13.706
  217   1HD1  ILE  81          2HD1      ILE  81 -17.545   1.716 -12.866
  218   2HD1  ILE  81          1HD1      ILE  81 -16.081   2.414 -12.212
  219   3HD1  ILE  81          3HD1      ILE  81 -15.982   1.282 -13.537
  220    H    GLY  82           H        GLY  82 -20.752  -1.127 -12.529
  221   1HA   GLY  82          2HA       GLY  82 -22.390  -2.804 -13.139
  222   2HA   GLY  82          1HA       GLY  82 -21.077  -3.644 -13.949
  223    H    VAL  83           H        VAL  83 -21.931  -2.789 -10.700
  224    HA   VAL  83           HA       VAL  83 -20.738  -4.294  -8.965
  225    HB   VAL  83           HB       VAL  83 -22.714  -2.959  -8.387
  226   1HG1  VAL  83          3HG1      VAL  83 -24.179  -3.499 -10.321
  227   2HG1  VAL  83          2HG1      VAL  83 -24.491  -5.096  -9.640
  228   3HG1  VAL  83          1HG1      VAL  83 -25.010  -3.666  -8.790
  229   1HG2  VAL  83          2HG2      VAL  83 -22.075  -4.684  -6.798
  230   2HG2  VAL  83          1HG2      VAL  83 -23.810  -4.375  -6.768
  231   3HG2  VAL  83          3HG2      VAL  83 -23.181  -5.815  -7.567
  232    H    THR  84           H        THR  84 -23.215  -5.740 -10.831
  233    HA   THR  84           HA       THR  84 -21.985  -8.442 -10.445
  234    HB   THR  84           HB       THR  84 -25.035  -7.935 -10.358
  235    HG1  THR  84           HG1      THR  84 -23.828  -8.914  -8.115
  236   1HG2  THR  84          1HG2      THR  84 -23.339 -10.398  -9.608
  237   2HG2  THR  84          3HG2      THR  84 -25.098 -10.305  -9.540
  238   3HG2  THR  84          2HG2      THR  84 -24.270 -10.277 -11.084
  239    H    ARG  85           H        ARG  85 -24.334  -6.575 -12.402
  240    HA   ARG  85           HA       ARG  85 -24.204  -8.481 -14.584
  241   1HB   ARG  85          2HB       ARG  85 -26.146  -6.870 -14.113
  242   2HB   ARG  85          1HB       ARG  85 -25.146  -5.569 -14.730
  243   1HG   ARG  85          2HG       ARG  85 -24.923  -6.774 -16.915
  244   2HG   ARG  85          1HG       ARG  85 -25.863  -8.108 -16.281
  245   1HD   ARG  85          2HD       ARG  85 -27.378  -6.793 -17.599
  246   2HD   ARG  85          1HD       ARG  85 -27.785  -6.436 -15.926
  247    HE   ARG  85           HE       ARG  85 -26.204  -4.381 -16.282
  248   1HH1  ARG  85          2HH1      ARG  85 -25.527  -4.400 -18.959
  249   2HH1  ARG  85          1HH1      ARG  85 -26.831  -3.670 -19.830
  250   1HH2  ARG  85          1HH2      ARG  85 -29.057  -4.139 -17.141
  251   2HH2  ARG  85          2HH2      ARG  85 -28.935  -3.519 -18.752
  252    H    GLN  86           HN       GLN  86 -21.922  -8.638 -14.688
  253    HA   GLN  86           HA       GLN  86 -20.064  -6.631 -15.302
  254   1HB   GLN  86          2HB       GLN  86 -20.123  -9.496 -16.402
  255   2HB   GLN  86          1HB       GLN  86 -18.711  -8.468 -16.372
  256   1HG   GLN  86          2HG       GLN  86 -18.739  -8.404 -13.907
  257   2HG   GLN  86          1HG       GLN  86 -20.228  -9.332 -13.862
  258   1HE2  GLN  86          2HE2      GLN  86 -17.851 -11.970 -13.370
  259   2HE2  GLN  86          1HE2      GLN  86 -18.781 -10.832 -12.512
   
  No H/Q in entry =         259
  Start of MODEL    4
    1   1H    ALA  59          2H        ALA  59   5.356   2.530   0.894
    2   2H    ALA  59          1H        ALA  59   5.141   2.445   2.566
    3   3H    ALA  59          3H        ALA  59   5.568   1.051   1.704
    4    HA   ALA  59           HA       ALA  59   3.442   0.533   1.430
    5   1HB   ALA  59          2HB       ALA  59   3.110   1.719   3.620
    6   2HB   ALA  59          1HB       ALA  59   2.876   3.231   2.754
    7   3HB   ALA  59          3HB       ALA  59   1.714   1.930   2.575
    8    H    ILE  60           H        ILE  60   4.822   1.998  -0.634
    9    HA   ILE  60           HA       ILE  60   3.453   3.987  -2.022
   10    HB   ILE  60           HB       ILE  60   4.690   1.484  -3.275
   11   1HG1  ILE  60          2HG1      ILE  60   6.357   2.393  -1.702
   12   2HG1  ILE  60          1HG1      ILE  60   6.832   2.799  -3.322
   13   1HG2  ILE  60          2HG2      ILE  60   4.426   4.307  -4.385
   14   2HG2  ILE  60          1HG2      ILE  60   5.263   2.979  -5.165
   15   3HG2  ILE  60          3HG2      ILE  60   3.530   2.899  -4.927
   16   1HD1  ILE  60          2HD1      ILE  60   5.415   4.739  -1.435
   17   2HD1  ILE  60          1HD1      ILE  60   7.122   4.738  -1.820
   18   3HD1  ILE  60          3HD1      ILE  60   5.952   5.107  -3.067
   19    H    ILE  61           H        ILE  61   2.696   0.575  -2.183
   20    HA   ILE  61           HA       ILE  61   0.624   0.941  -3.979
   21    HB   ILE  61           HB       ILE  61   0.018  -1.411  -3.129
   22   1HG1  ILE  61          2HG1      ILE  61   1.500  -2.559  -1.730
   23   2HG1  ILE  61          1HG1      ILE  61   2.650  -1.257  -1.590
   24   1HG2  ILE  61          2HG2      ILE  61   2.859  -0.827  -4.098
   25   2HG2  ILE  61          1HG2      ILE  61   2.068  -2.392  -4.202
   26   3HG2  ILE  61          3HG2      ILE  61   1.441  -1.032  -5.110
   27   1HD1  ILE  61          1HD1      ILE  61  -0.206  -1.283  -0.513
   28   2HD1  ILE  61          3HD1      ILE  61   1.262  -1.443   0.446
   29   3HD1  ILE  61          2HD1      ILE  61   0.899   0.075  -0.341
   30    H    ARG  62           H        ARG  62   0.544   2.269  -1.173
   31    HA   ARG  62           HA       ARG  62  -2.392   2.187  -0.966
   32   1HB   ARG  62          2HB       ARG  62  -1.215   0.769   0.920
   33   2HB   ARG  62          1HB       ARG  62  -0.441   2.257   1.430
   34   1HG   ARG  62          2HG       ARG  62  -2.689   3.277   1.844
   35   2HG   ARG  62          1HG       ARG  62  -3.453   1.777   1.354
   36   1HD   ARG  62          2HD       ARG  62  -1.508   1.993   3.699
   37   2HD   ARG  62          1HD       ARG  62  -3.254   2.060   3.872
   38    HE   ARG  62           HE       ARG  62  -1.763  -0.342   2.864
   39   1HH1  ARG  62          1HH2      ARG  62  -4.345  -0.850   2.090
   40   2HH1  ARG  62          2HH2      ARG  62  -5.194  -1.446   3.476
   41   1HH2  ARG  62          2HH1      ARG  62  -2.795  -0.150   5.691
   42   2HH2  ARG  62          1HH1      ARG  62  -4.280  -1.035   5.597
   43    H    ILE  63           H        ILE  63   0.589   3.816  -0.190
   44    HA   ILE  63           HA       ILE  63  -0.485   6.212   0.506
   45    HB   ILE  63           HB       ILE  63   2.058   5.175  -0.518
   46   1HG1  ILE  63          2HG1      ILE  63   1.120   5.068   1.843
   47   2HG1  ILE  63          1HG1      ILE  63   2.677   5.768   1.652
   48   1HG2  ILE  63          1HG2      ILE  63   1.595   8.147  -0.259
   49   2HG2  ILE  63          3HG2      ILE  63   3.157   7.336  -0.411
   50   3HG2  ILE  63          2HG2      ILE  63   2.004   7.280  -1.733
   51   1HD1  ILE  63          1HD1      ILE  63   0.139   7.414   2.033
   52   2HD1  ILE  63          3HD1      ILE  63   1.324   7.067   3.271
   53   3HD1  ILE  63          2HD1      ILE  63   1.765   8.062   1.901
   54    H    LEU  64           H        LEU  64   0.429   5.085  -2.762
   55    HA   LEU  64           HA       LEU  64  -0.401   7.562  -4.052
   56   1HB   LEU  64          2HB       LEU  64  -0.076   4.815  -5.357
   57   2HB   LEU  64          1HB       LEU  64  -0.123   6.350  -6.181
   58    HG   LEU  64           HG       LEU  64   2.069   5.520  -4.215
   59   1HD1  LEU  64          1HD1      LEU  64   2.041   5.679  -7.270
   60   2HD1  LEU  64          3HD1      LEU  64   3.447   5.325  -6.292
   61   3HD1  LEU  64          2HD1      LEU  64   2.105   4.200  -6.330
   62   1HD2  LEU  64          3HD2      LEU  64   1.870   7.922  -6.110
   63   2HD2  LEU  64          2HD2      LEU  64   1.732   8.014  -4.361
   64   3HD2  LEU  64          1HD2      LEU  64   3.249   7.533  -5.095
   65    H    GLN  65           H        GLN  65  -1.857   4.585  -3.272
   66    HA   GLN  65           HA       GLN  65  -4.128   4.645  -4.955
   67   1HB   GLN  65          2HB       GLN  65  -3.508   3.357  -2.288
   68   2HB   GLN  65          1HB       GLN  65  -5.068   3.189  -3.034
   69   1HG   GLN  65          2HG       GLN  65  -3.431   1.302  -3.686
   70   2HG   GLN  65          1HG       GLN  65  -4.094   2.158  -5.058
   71   1HE2  GLN  65          2HE2      GLN  65  -0.211   3.127  -4.170
   72   2HE2  GLN  65          1HE2      GLN  65  -1.318   2.955  -2.895
   73    H    GLN  66           H        GLN  66  -3.406   6.657  -2.254
   74    HA   GLN  66           HA       GLN  66  -6.131   7.129  -1.539
   75   1HB   GLN  66          2HB       GLN  66  -3.465   8.682  -1.289
   76   2HB   GLN  66          1HB       GLN  66  -4.933   9.487  -0.873
   77   1HG   GLN  66          2HG       GLN  66  -5.330   7.663   0.897
   78   2HG   GLN  66          1HG       GLN  66  -3.744   7.023   0.492
   79   1HE2  GLN  66          2HE2      GLN  66  -2.066   9.922   1.940
   80   2HE2  GLN  66          1HE2      GLN  66  -1.920   8.863   0.611
   81    H    LEU  67           H        LEU  67  -4.149   8.111  -4.102
   82    HA   LEU  67           HA       LEU  67  -6.027  10.181  -4.977
   83   1HB   LEU  67          2HB       LEU  67  -3.540   9.075  -6.311
   84   2HB   LEU  67          1HB       LEU  67  -4.499  10.418  -6.895
   85    HG   LEU  67           HG       LEU  67  -4.130  11.397  -4.451
   86   1HD1  LEU  67          3HD1      LEU  67  -1.740   9.516  -4.666
   87   2HD1  LEU  67          2HD1      LEU  67  -1.921  10.809  -3.488
   88   3HD1  LEU  67          1HD1      LEU  67  -2.988   9.435  -3.446
   89   1HD2  LEU  67          3HD2      LEU  67  -1.941  11.371  -6.544
   90   2HD2  LEU  67          2HD2      LEU  67  -3.331  12.447  -6.501
   91   3HD2  LEU  67          1HD2      LEU  67  -2.113  12.549  -5.246
   92    H    LEU  68           H        LEU  68  -4.888   6.995  -5.909
   93    HA   LEU  68           HA       LEU  68  -6.665   6.801  -8.228
   94   1HB   LEU  68          2HB       LEU  68  -5.765   4.366  -6.594
   95   2HB   LEU  68          1HB       LEU  68  -6.021   4.452  -8.318
   96    HG   LEU  68           HG       LEU  68  -3.762   5.767  -6.780
   97   1HD1  LEU  68          1HD1      LEU  68  -3.526   3.301  -7.119
   98   2HD1  LEU  68          3HD1      LEU  68  -3.765   3.505  -8.842
   99   3HD1  LEU  68          2HD1      LEU  68  -2.330   4.158  -8.060
  100   1HD2  LEU  68          2HD2      LEU  68  -4.281   5.780  -9.795
  101   2HD2  LEU  68          1HD2      LEU  68  -4.405   7.182  -8.744
  102   3HD2  LEU  68          3HD2      LEU  68  -2.851   6.428  -9.008
  103    H    PHE  69           H        PHE  69  -7.038   6.445  -4.873
  104    HA   PHE  69           HA       PHE  69  -9.330   4.837  -4.719
  105   1HB   PHE  69          2HB       PHE  69  -8.109   6.913  -3.015
  106   2HB   PHE  69          1HB       PHE  69  -9.846   7.102  -3.000
  107    HD1  PHE  69           HD1      PHE  69 -11.275   4.947  -2.532
  108    HD2  PHE  69           HD2      PHE  69  -7.112   5.249  -1.637
  109    HE1  PHE  69           HE1      PHE  69 -11.463   3.093  -0.925
  110    HE2  PHE  69           HE2      PHE  69  -7.308   3.415  -0.048
  111    HZ   PHE  69           HZ       PHE  69  -9.482   2.327   0.317
  112    H    ILE  70           H        ILE  70  -9.048   8.236  -5.399
  113    HA   ILE  70           HA       ILE  70 -11.725   8.864  -5.750
  114    HB   ILE  70           HB       ILE  70  -9.297  10.002  -7.093
  115   1HG1  ILE  70          2HG1      ILE  70 -10.361  11.766  -5.256
  116   2HG1  ILE  70          1HG1      ILE  70 -10.778  10.283  -4.480
  117   1HG2  ILE  70          2HG2      ILE  70 -12.128  11.141  -6.970
  118   2HG2  ILE  70          1HG2      ILE  70 -10.704  11.970  -7.583
  119   3HG2  ILE  70          3HG2      ILE  70 -11.330  10.576  -8.431
  120   1HD1  ILE  70          1HD1      ILE  70  -8.016  11.080  -5.371
  121   2HD1  ILE  70          3HD1      ILE  70  -8.619  11.062  -3.715
  122   3HD1  ILE  70          2HD1      ILE  70  -8.419   9.563  -4.583
  123    H    HIS  71           H        HIS  71  -9.483   8.025  -8.276
  124    HA   HIS  71           HA       HIS  71 -11.337   7.995 -10.438
  125   1HB   HIS  71          2HB       HIS  71  -8.824   6.320 -10.073
  126   2HB   HIS  71          1HB       HIS  71  -9.660   6.541 -11.606
  127    HD1  HIS  71           HD1      HIS  71  -6.852   7.578 -11.430
  128    HD2  HIS  71           HD2      HIS  71 -10.168   9.887 -10.451
  129    HE1  HIS  71           HE1      HIS  71  -6.258   9.996 -11.637
  130    H    PHE  72           H        PHE  72 -10.536   5.347  -8.272
  131    HA   PHE  72           HA       PHE  72 -12.266   3.505  -9.740
  132   1HB   PHE  72          2HB       PHE  72 -10.662   3.295  -7.154
  133   2HB   PHE  72          1HB       PHE  72 -11.716   2.010  -7.705
  134    HD1  PHE  72           HD1      PHE  72 -10.019   3.817 -10.429
  135    HD2  PHE  72           HD2      PHE  72  -9.616   0.612  -7.634
  136    HE1  PHE  72           HE1      PHE  72  -8.228   2.860 -11.778
  137    HE2  PHE  72           HE2      PHE  72  -7.822  -0.332  -9.002
  138    HZ   PHE  72           HZ       PHE  72  -7.120   0.786 -11.071
  139    H    ARG  73           H        ARG  73 -12.463   5.767  -7.181
  140    HA   ARG  73           HA       ARG  73 -14.712   4.546  -5.971
  141   1HB   ARG  73          2HB       ARG  73 -13.359   6.170  -4.702
  142   2HB   ARG  73          1HB       ARG  73 -13.739   7.442  -5.841
  143   1HG   ARG  73          2HG       ARG  73 -15.063   7.732  -3.818
  144   2HG   ARG  73          1HG       ARG  73 -16.140   7.320  -5.131
  145   1HD   ARG  73          2HD       ARG  73 -15.067   5.125  -3.325
  146   2HD   ARG  73          1HD       ARG  73 -16.425   6.115  -2.810
  147    HE   ARG  73           HE       ARG  73 -16.754   4.909  -5.483
  148   1HH1  ARG  73          2HH1      ARG  73 -18.955   5.712  -3.746
  149   2HH1  ARG  73          1HH1      ARG  73 -19.520   4.226  -3.063
  150   1HH2  ARG  73          1HH2      ARG  73 -16.575   2.520  -3.927
  151   2HH2  ARG  73          2HH2      ARG  73 -18.129   2.355  -3.184
  152    H    ILE  74           H        ILE  74 -14.229   7.196  -8.117
  153    HA   ILE  74           HA       ILE  74 -16.942   7.924  -8.659
  154    HB   ILE  74           HB       ILE  74 -14.366   8.314 -10.263
  155   1HG1  ILE  74          2HG1      ILE  74 -15.830  10.196  -8.346
  156   2HG1  ILE  74          1HG1      ILE  74 -14.355   9.342  -7.968
  157   1HG2  ILE  74          1HG2      ILE  74 -16.373   8.630 -11.736
  158   2HG2  ILE  74          3HG2      ILE  74 -17.027   9.788 -10.592
  159   3HG2  ILE  74          2HG2      ILE  74 -15.550  10.142 -11.469
  160   1HD1  ILE  74          3HD1      ILE  74 -13.175  10.564  -9.816
  161   2HD1  ILE  74          2HD1      ILE  74 -14.649  11.457 -10.159
  162   3HD1  ILE  74          1HD1      ILE  74 -13.847  11.658  -8.622
  163    H    GLY  75           H        GLY  75 -14.659   5.908 -10.455
  164   1HA   GLY  75          2HA       GLY  75 -16.250   5.286 -12.694
  165   2HA   GLY  75          1HA       GLY  75 -15.078   4.165 -12.014
  166    H    CYS  76           H        CYS  76 -16.137   3.641  -9.617
  167    HA   CYS  76           HA       CYS  76 -18.150   1.733 -10.269
  168   1HB   CYS  76          2HB       CYS  76 -17.072   2.741  -7.639
  169   2HB   CYS  76          1HB       CYS  76 -18.155   1.397  -7.739
  170    HG   CYS  76           HG       CYS  76 -15.141   1.371  -8.376
  171    H    ARG  77           H        ARG  77 -18.782   4.737 -10.122
  172    HA   ARG  77           HA       ARG  77 -21.177   4.588  -8.394
  173   1HB   ARG  77          2HB       ARG  77 -19.575   6.671  -8.701
  174   2HB   ARG  77          1HB       ARG  77 -20.583   7.013 -10.098
  175   1HG   ARG  77          2HG       ARG  77 -22.607   6.998  -8.677
  176   2HG   ARG  77          1HG       ARG  77 -21.666   6.496  -7.286
  177   1HD   ARG  77          2HD       ARG  77 -20.314   8.723  -7.693
  178   2HD   ARG  77          1HD       ARG  77 -21.715   9.198  -8.655
  179    HE   ARG  77           HE       ARG  77 -21.791   8.461  -5.761
  180   1HH1  ARG  77          1HH2      ARG  77 -24.406   8.073  -6.451
  181   2HH1  ARG  77          2HH2      ARG  77 -25.162   9.632  -6.491
  182   1HH2  ARG  77          2HH1      ARG  77 -22.073  11.291  -6.754
  183   2HH2  ARG  77          1HH1      ARG  77 -23.783  11.537  -6.675
  184    H    HIS  78           H        HIS  78 -20.520   4.908 -11.772
  185    HA   HIS  78           HA       HIS  78 -22.952   5.488 -12.909
  186   1HB   HIS  78          2HB       HIS  78 -22.188   4.438 -14.862
  187   2HB   HIS  78          1HB       HIS  78 -20.711   4.860 -14.042
  188    HD1  HIS  78           HD1      HIS  78 -21.773   2.246 -15.923
  189    HD2  HIS  78           HD2      HIS  78 -20.214   2.377 -12.057
  190    HE1  HIS  78           HE1      HIS  78 -20.824   0.013 -15.337
  191    H    SER  79           H        SER  79 -22.212   2.532 -11.360
  192    HA   SER  79           HA       SER  79 -25.073   1.689 -11.485
  193   1HB   SER  79          2HB       SER  79 -24.076   0.584 -13.486
  194   2HB   SER  79          1HB       SER  79 -22.752  -0.055 -12.515
  195    HG   SER  79           HG       SER  79 -24.490  -1.068 -11.207
  196    H    ARG  80           H        ARG  80 -23.257   2.747  -9.588
  197    HA   ARG  80           HA       ARG  80 -22.198   2.345  -7.536
  198   1HB   ARG  80          2HB       ARG  80 -24.713   2.642  -7.123
  199   2HB   ARG  80          1HB       ARG  80 -24.872   0.894  -7.088
  200   1HG   ARG  80          2HG       ARG  80 -23.159   0.848  -5.175
  201   2HG   ARG  80          1HG       ARG  80 -23.142   2.597  -5.222
  202   1HD   ARG  80          2HD       ARG  80 -25.535   2.663  -4.635
  203   2HD   ARG  80          1HD       ARG  80 -25.604   0.905  -4.647
  204    HE   ARG  80           HE       ARG  80 -24.264   2.602  -2.620
  205   1HH1  ARG  80          1HH2      ARG  80 -26.109  -0.079  -2.970
  206   2HH1  ARG  80          2HH2      ARG  80 -25.194  -1.126  -1.941
  207   1HH2  ARG  80          2HH1      ARG  80 -22.512   1.107  -1.706
  208   2HH2  ARG  80          1HH1      ARG  80 -23.123  -0.429  -1.208
  209    H    ILE  81           H        ILE  81 -20.935   0.798  -8.954
  210    HA   ILE  81           HA       ILE  81 -21.135  -2.002  -8.789
  211    HB   ILE  81           HB       ILE  81 -18.555  -0.334  -8.813
  212   1HG1  ILE  81          2HG1      ILE  81 -20.003   0.463 -10.652
  213   2HG1  ILE  81          1HG1      ILE  81 -18.702  -0.475 -11.340
  214   1HG2  ILE  81          3HG2      ILE  81 -19.045  -3.137  -9.860
  215   2HG2  ILE  81          2HG2      ILE  81 -17.549  -2.220 -10.036
  216   3HG2  ILE  81          1HG2      ILE  81 -18.103  -2.710  -8.445
  217   1HD1  ILE  81          3HD1      ILE  81 -20.204  -2.449 -11.504
  218   2HD1  ILE  81          2HD1      ILE  81 -21.526  -1.497 -10.839
  219   3HD1  ILE  81          1HD1      ILE  81 -20.836  -1.094 -12.390
  220    H    GLY  82           H        GLY  82 -20.491   0.168  -6.443
  221   1HA   GLY  82          2HA       GLY  82 -18.866  -1.050  -4.537
  222   2HA   GLY  82          1HA       GLY  82 -20.243  -0.040  -4.084
  223    H    VAL  83           H        VAL  83 -22.018  -2.035  -5.536
  224    HA   VAL  83           HA       VAL  83 -22.847  -3.540  -3.324
  225    HB   VAL  83           HB       VAL  83 -23.203  -4.139  -6.317
  226   1HG1  VAL  83          3HG1      VAL  83 -24.857  -4.986  -3.922
  227   2HG1  VAL  83          2HG1      VAL  83 -25.261  -5.315  -5.607
  228   3HG1  VAL  83          1HG1      VAL  83 -23.845  -6.059  -4.877
  229   1HG2  VAL  83          3HG2      VAL  83 -24.052  -1.846  -5.641
  230   2HG2  VAL  83          2HG2      VAL  83 -25.362  -2.915  -6.073
  231   3HG2  VAL  83          1HG2      VAL  83 -25.011  -2.580  -4.387
  232    H    THR  84           H        THR  84 -20.233  -4.163  -5.450
  233    HA   THR  84           HA       THR  84 -20.060  -7.019  -4.600
  234    HB   THR  84           HB       THR  84 -19.639  -6.365  -6.964
  235    HG1  THR  84           HG1      THR  84 -17.729  -7.645  -5.299
  236   1HG2  THR  84          2HG2      THR  84 -18.217  -4.261  -6.565
  237   2HG2  THR  84          1HG2      THR  84 -16.954  -5.292  -5.932
  238   3HG2  THR  84          3HG2      THR  84 -17.451  -5.436  -7.607
  239    H    ARG  85           H        ARG  85 -19.226  -4.282  -3.361
  240    HA   ARG  85           HA       ARG  85 -17.242  -3.432  -2.198
  241   1HB   ARG  85          2HB       ARG  85 -19.287  -4.021  -0.801
  242   2HB   ARG  85          1HB       ARG  85 -18.497  -5.528  -0.381
  243   1HG   ARG  85          2HG       ARG  85 -16.575  -4.252   0.597
  244   2HG   ARG  85          1HG       ARG  85 -17.332  -2.745   0.116
  245   1HD   ARG  85          2HD       ARG  85 -19.303  -3.320   1.602
  246   2HD   ARG  85          1HD       ARG  85 -18.428  -4.754   2.136
  247    HE   ARG  85           HE       ARG  85 -16.826  -3.351   3.248
  248   1HH1  ARG  85          1HH2      ARG  85 -18.504  -1.403   1.104
  249   2HH1  ARG  85          2HH2      ARG  85 -18.612  -0.013   2.132
  250   1HH2  ARG  85          2HH1      ARG  85 -17.284  -1.752   4.886
  251   2HH2  ARG  85          1HH1      ARG  85 -17.879  -0.227   4.347
  252    H    GLN  86           HN       GLN  86 -15.578  -4.395  -3.530
  253    HA   GLN  86           HA       GLN  86 -13.526  -5.468  -3.808
  254   1HB   GLN  86          2HB       GLN  86 -13.277  -4.436  -1.447
  255   2HB   GLN  86          1HB       GLN  86 -13.732  -5.991  -0.787
  256   1HG   GLN  86          2HG       GLN  86 -11.786  -7.085  -1.840
  257   2HG   GLN  86          1HG       GLN  86 -11.311  -5.577  -2.604
  258   1HE2  GLN  86          2HE2      GLN  86 -10.507  -4.195   0.749
  259   2HE2  GLN  86          1HE2      GLN  86 -11.542  -3.715  -0.515
   
  No H/Q in entry =         259
  Start of MODEL    5
    1   1H    ALA  59          1H        ALA  59   5.554   3.982   0.538
    2   2H    ALA  59          3H        ALA  59   5.473   4.122   2.221
    3   3H    ALA  59          2H        ALA  59   5.992   2.668   1.525
    4    HA   ALA  59           HA       ALA  59   3.928   1.903   1.507
    5   1HB   ALA  59          2HB       ALA  59   3.630   3.351   3.530
    6   2HB   ALA  59          1HB       ALA  59   3.139   4.690   2.495
    7   3HB   ALA  59          3HB       ALA  59   2.142   3.250   2.602
    8    H    ILE  60           H        ILE  60   4.941   3.044  -0.878
    9    HA   ILE  60           HA       ILE  60   3.198   4.687  -2.381
   10    HB   ILE  60           HB       ILE  60   5.425   3.990  -3.099
   11   1HG1  ILE  60          2HG1      ILE  60   3.791   2.918  -5.357
   12   2HG1  ILE  60          1HG1      ILE  60   3.187   4.417  -4.688
   13   1HG2  ILE  60          3HG2      ILE  60   5.437   1.602  -2.434
   14   2HG2  ILE  60          2HG2      ILE  60   4.222   1.249  -3.664
   15   3HG2  ILE  60          1HG2      ILE  60   5.819   1.779  -4.128
   16   1HD1  ILE  60          2HD1      ILE  60   6.042   3.951  -5.567
   17   2HD1  ILE  60          1HD1      ILE  60   4.828   4.859  -6.461
   18   3HD1  ILE  60          3HD1      ILE  60   5.398   5.451  -4.909
   19    H    ILE  61           H        ILE  61   2.868   1.261  -1.677
   20    HA   ILE  61           HA       ILE  61   0.747   0.969  -3.468
   21    HB   ILE  61           HB       ILE  61   0.353  -1.118  -1.812
   22   1HG1  ILE  61          2HG1      ILE  61   2.120  -0.136  -0.203
   23   2HG1  ILE  61          1HG1      ILE  61   2.050  -1.840  -0.557
   24   1HG2  ILE  61          1HG2      ILE  61   2.569  -0.898  -3.877
   25   2HG2  ILE  61          3HG2      ILE  61   1.940  -2.416  -3.249
   26   3HG2  ILE  61          2HG2      ILE  61   0.895  -1.340  -4.160
   27   1HD1  ILE  61          3HD1      ILE  61   4.002   0.029  -1.988
   28   2HD1  ILE  61          2HD1      ILE  61   4.401  -0.987  -0.623
   29   3HD1  ILE  61          1HD1      ILE  61   3.888  -1.696  -2.140
   30    H    ARG  62           H        ARG  62   0.687   2.848  -0.980
   31    HA   ARG  62           HA       ARG  62  -2.190   2.454  -0.466
   32   1HB   ARG  62          2HB       ARG  62  -0.609   1.741   1.540
   33   2HB   ARG  62          1HB       ARG  62  -0.137   3.419   1.645
   34   1HG   ARG  62          2HG       ARG  62  -3.075   2.609   1.809
   35   2HG   ARG  62          1HG       ARG  62  -2.053   2.575   3.227
   36   1HD   ARG  62          2HD       ARG  62  -1.613   4.995   3.029
   37   2HD   ARG  62          1HD       ARG  62  -2.507   5.079   1.528
   38    HE   ARG  62           HE       ARG  62  -4.252   5.598   2.976
   39   1HH1  ARG  62          1HH2      ARG  62  -5.403   3.068   3.031
   40   2HH1  ARG  62          2HH2      ARG  62  -5.358   2.546   4.679
   41   1HH2  ARG  62          2HH1      ARG  62  -2.865   4.885   5.490
   42   2HH2  ARG  62          1HH1      ARG  62  -3.863   3.634   6.159
   43    H    ILE  63           H        ILE  63   0.587   4.665  -0.410
   44    HA   ILE  63           HA       ILE  63  -0.932   6.948  -0.267
   45    HB   ILE  63           HB       ILE  63   1.718   6.203  -1.463
   46   1HG1  ILE  63          2HG1      ILE  63   0.566   7.051   1.181
   47   2HG1  ILE  63          1HG1      ILE  63   1.940   6.040   0.827
   48   1HG2  ILE  63          1HG2      ILE  63   0.566   8.975  -1.238
   49   2HG2  ILE  63          3HG2      ILE  63   2.238   8.558  -1.660
   50   3HG2  ILE  63          2HG2      ILE  63   0.931   8.106  -2.734
   51   1HD1  ILE  63          1HD1      ILE  63   3.274   8.042   0.327
   52   2HD1  ILE  63          3HD1      ILE  63   1.861   9.047   0.671
   53   3HD1  ILE  63          2HD1      ILE  63   2.580   8.081   1.952
   54    H    LEU  64           H        LEU  64   0.178   5.260  -3.242
   55    HA   LEU  64           HA       LEU  64  -1.193   7.121  -4.985
   56   1HB   LEU  64          2HB       LEU  64  -0.594   4.177  -5.561
   57   2HB   LEU  64          1HB       LEU  64  -1.003   5.380  -6.754
   58    HG   LEU  64           HG       LEU  64   1.476   5.477  -4.989
   59   1HD1  LEU  64          3HD1      LEU  64   1.118   4.784  -7.952
   60   2HD1  LEU  64          2HD1      LEU  64   2.666   4.914  -7.143
   61   3HD1  LEU  64          1HD1      LEU  64   1.551   3.644  -6.691
   62   1HD2  LEU  64          2HD2      LEU  64   0.680   7.221  -7.374
   63   2HD2  LEU  64          1HD2      LEU  64   0.728   7.754  -5.698
   64   3HD2  LEU  64          3HD2      LEU  64   2.208   7.301  -6.512
   65    H    GLN  65           H        GLN  65  -2.206   4.343  -3.266
   66    HA   GLN  65           HA       GLN  65  -4.626   3.822  -4.656
   67   1HB   GLN  65          2HB       GLN  65  -3.675   3.243  -1.810
   68   2HB   GLN  65          1HB       GLN  65  -5.218   2.737  -2.404
   69   1HG   GLN  65          2HG       GLN  65  -3.348   0.963  -2.701
   70   2HG   GLN  65          1HG       GLN  65  -4.242   1.353  -4.149
   71   1HE2  GLN  65          2HE2      GLN  65  -0.463   2.962  -3.991
   72   2HE2  GLN  65          1HE2      GLN  65  -1.398   2.960  -2.576
   73    H    GLN  66           H        GLN  66  -3.747   6.373  -2.476
   74    HA   GLN  66           HA       GLN  66  -6.465   6.940  -1.727
   75   1HB   GLN  66          2HB       GLN  66  -3.895   8.638  -1.829
   76   2HB   GLN  66          1HB       GLN  66  -5.365   9.120  -1.039
   77   1HG   GLN  66          2HG       GLN  66  -5.196   6.992   0.403
   78   2HG   GLN  66          1HG       GLN  66  -3.637   6.696  -0.325
   79   1HE2  GLN  66          2HE2      GLN  66  -2.507   9.876   1.416
   80   2HE2  GLN  66          1HE2      GLN  66  -2.702   9.512  -0.241
   81    H    LEU  67           H        LEU  67  -4.482   7.529  -4.402
   82    HA   LEU  67           HA       LEU  67  -6.226   9.571  -5.581
   83   1HB   LEU  67          2HB       LEU  67  -3.664   8.271  -6.395
   84   2HB   LEU  67          1HB       LEU  67  -4.685   8.948  -7.649
   85    HG   LEU  67           HG       LEU  67  -3.913  10.524  -5.137
   86   1HD1  LEU  67          1HD1      LEU  67  -1.950   9.868  -6.474
   87   2HD1  LEU  67          3HD1      LEU  67  -2.722  10.516  -7.923
   88   3HD1  LEU  67          2HD1      LEU  67  -2.273  11.595  -6.599
   89   1HD2  LEU  67          3HD2      LEU  67  -4.975  11.411  -7.892
   90   2HD2  LEU  67          2HD2      LEU  67  -5.955  11.372  -6.442
   91   3HD2  LEU  67          1HD2      LEU  67  -4.606  12.472  -6.546
   92    H    LEU  68           H        LEU  68  -5.201   6.234  -6.115
   93    HA   LEU  68           HA       LEU  68  -7.021   5.681  -8.276
   94   1HB   LEU  68          2HB       LEU  68  -6.319   3.640  -6.083
   95   2HB   LEU  68          1HB       LEU  68  -6.746   3.284  -7.738
   96    HG   LEU  68           HG       LEU  68  -4.225   4.631  -6.778
   97   1HD1  LEU  68          1HD1      LEU  68  -4.256   2.184  -6.400
   98   2HD1  LEU  68          3HD1      LEU  68  -4.682   1.904  -8.076
   99   3HD1  LEU  68          2HD1      LEU  68  -3.111   2.566  -7.657
  100   1HD2  LEU  68          3HD2      LEU  68  -5.054   3.935  -9.640
  101   2HD2  LEU  68          2HD2      LEU  68  -4.876   5.562  -8.995
  102   3HD2  LEU  68          1HD2      LEU  68  -3.472   4.536  -9.167
  103    H    PHE  69           H        PHE  69  -7.374   5.733  -4.857
  104    HA   PHE  69           HA       PHE  69  -9.904   4.530  -4.543
  105   1HB   PHE  69          2HB       PHE  69  -8.566   5.377  -2.600
  106   2HB   PHE  69          1HB       PHE  69  -8.815   7.028  -3.139
  107    HD1  PHE  69           HD1      PHE  69 -11.031   8.096  -2.906
  108    HD2  PHE  69           HD2      PHE  69 -10.348   4.126  -1.509
  109    HE1  PHE  69           HE1      PHE  69 -13.107   8.203  -1.599
  110    HE2  PHE  69           HE2      PHE  69 -12.430   4.241  -0.200
  111    HZ   PHE  69           HZ       PHE  69 -13.801   6.278  -0.242
  112    H    ILE  70           H        ILE  70  -9.064   7.713  -5.551
  113    HA   ILE  70           HA       ILE  70 -11.737   8.727  -5.781
  114    HB   ILE  70           HB       ILE  70  -9.167   9.688  -6.989
  115   1HG1  ILE  70          2HG1      ILE  70 -10.622   9.857  -4.325
  116   2HG1  ILE  70          1HG1      ILE  70  -8.915   9.764  -4.645
  117   1HG2  ILE  70          1HG2      ILE  70 -11.145  10.557  -8.219
  118   2HG2  ILE  70          3HG2      ILE  70 -11.864  11.079  -6.700
  119   3HG2  ILE  70          2HG2      ILE  70 -10.382  11.822  -7.290
  120   1HD1  ILE  70          3HD1      ILE  70  -8.969  12.107  -5.423
  121   2HD1  ILE  70          2HD1      ILE  70 -10.704  12.144  -5.063
  122   3HD1  ILE  70          1HD1      ILE  70  -9.549  11.931  -3.756
  123    H    HIS  71           H        HIS  71  -9.453   7.511  -8.097
  124    HA   HIS  71           HA       HIS  71 -11.230   7.845 -10.370
  125   1HB   HIS  71          2HB       HIS  71  -8.835   5.964 -10.132
  126   2HB   HIS  71          1HB       HIS  71  -9.553   6.560 -11.626
  127    HD1  HIS  71           HD1      HIS  71  -6.576   7.212 -10.542
  128    HD2  HIS  71           HD2      HIS  71  -9.905   9.716 -10.473
  129    HE1  HIS  71           HE1      HIS  71  -5.817   9.580 -10.428
  130    H    PHE  72           H        PHE  72 -10.886   5.279  -8.058
  131    HA   PHE  72           HA       PHE  72 -12.474   3.442  -9.703
  132   1HB   PHE  72          2HB       PHE  72 -10.501   3.128  -7.603
  133   2HB   PHE  72          1HB       PHE  72 -12.004   2.491  -6.981
  134    HD1  PHE  72           HD1      PHE  72  -9.971   2.426 -10.142
  135    HD2  PHE  72           HD2      PHE  72 -12.509   0.237  -7.504
  136    HE1  PHE  72           HE1      PHE  72  -9.633   0.395 -11.487
  137    HE2  PHE  72           HE2      PHE  72 -12.166  -1.772  -8.847
  138    HZ   PHE  72           HZ       PHE  72 -10.728  -1.705 -10.844
  139    H    ARG  73           H        ARG  73 -12.620   5.455  -6.766
  140    HA   ARG  73           HA       ARG  73 -15.196   4.474  -6.101
  141   1HB   ARG  73          2HB       ARG  73 -13.849   5.793  -4.419
  142   2HB   ARG  73          1HB       ARG  73 -14.027   7.238  -5.408
  143   1HG   ARG  73          2HG       ARG  73 -16.518   7.120  -5.106
  144   2HG   ARG  73          1HG       ARG  73 -16.341   5.638  -4.187
  145   1HD   ARG  73          2HD       ARG  73 -15.048   6.882  -2.452
  146   2HD   ARG  73          1HD       ARG  73 -15.234   8.359  -3.384
  147    HE   ARG  73           HE       ARG  73 -17.529   8.452  -2.794
  148   1HH1  ARG  73          1HH2      ARG  73 -15.786   6.278  -0.916
  149   2HH1  ARG  73          2HH2      ARG  73 -17.152   5.536  -0.166
  150   1HH2  ARG  73          2HH1      ARG  73 -19.442   7.216  -2.212
  151   2HH2  ARG  73          1HH1      ARG  73 -19.266   6.103  -0.906
  152    H    ILE  74           H        ILE  74 -14.173   7.499  -7.713
  153    HA   ILE  74           HA       ILE  74 -16.831   8.261  -8.452
  154    HB   ILE  74           HB       ILE  74 -14.144   8.913  -9.780
  155   1HG1  ILE  74          2HG1      ILE  74 -15.776  10.371  -7.642
  156   2HG1  ILE  74          1HG1      ILE  74 -14.263   9.545  -7.371
  157   1HG2  ILE  74          1HG2      ILE  74 -16.841  10.354  -9.996
  158   2HG2  ILE  74          3HG2      ILE  74 -15.345  10.918 -10.725
  159   3HG2  ILE  74          2HG2      ILE  74 -16.083   9.441 -11.285
  160   1HD1  ILE  74          2HD1      ILE  74 -13.127  11.132  -8.948
  161   2HD1  ILE  74          1HD1      ILE  74 -14.635  12.014  -9.130
  162   3HD1  ILE  74          3HD1      ILE  74 -13.853  11.946  -7.570
  163    H    GLY  75           H        GLY  75 -14.663   5.930  -9.784
  164   1HA   GLY  75          2HA       GLY  75 -15.986   5.783 -12.382
  165   2HA   GLY  75          1HA       GLY  75 -14.791   4.653 -11.773
  166    H    CYS  76           H        CYS  76 -15.748   3.371  -9.767
  167    HA   CYS  76           HA       CYS  76 -17.846   1.776 -10.833
  168   1HB   CYS  76          2HB       CYS  76 -16.732   1.914  -8.006
  169   2HB   CYS  76          1HB       CYS  76 -17.744   0.614  -8.576
  170    HG   CYS  76           HG       CYS  76 -15.815  -0.428  -9.751
  171    H    ARG  77           H        ARG  77 -18.162   4.553  -9.479
  172    HA   ARG  77           HA       ARG  77 -20.671   4.173  -7.996
  173   1HB   ARG  77          2HB       ARG  77 -18.887   5.955  -7.520
  174   2HB   ARG  77          1HB       ARG  77 -19.527   6.847  -8.885
  175   1HG   ARG  77          2HG       ARG  77 -21.769   6.834  -7.765
  176   2HG   ARG  77          1HG       ARG  77 -21.087   5.923  -6.427
  177   1HD   ARG  77          2HD       ARG  77 -19.394   7.882  -6.168
  178   2HD   ARG  77          1HD       ARG  77 -20.438   8.778  -7.263
  179    HE   ARG  77           HE       ARG  77 -20.917   8.516  -4.522
  180   1HH1  ARG  77          2HH1      ARG  77 -22.779   6.362  -5.477
  181   2HH1  ARG  77          1HH1      ARG  77 -24.264   7.222  -5.679
  182   1HH2  ARG  77          1HH2      ARG  77 -22.625  10.338  -5.649
  183   2HH2  ARG  77          2HH2      ARG  77 -24.172   9.579  -5.764
  184    H    HIS  78           H        HIS  78 -19.685   4.833 -11.194
  185    HA   HIS  78           HA       HIS  78 -21.753   6.285 -12.334
  186   1HB   HIS  78          2HB       HIS  78 -21.083   5.351 -14.391
  187   2HB   HIS  78          1HB       HIS  78 -19.662   5.051 -13.421
  188    HD1  HIS  78           HD1      HIS  78 -21.931   3.327 -15.556
  189    HD2  HIS  78           HD2      HIS  78 -19.745   2.357 -12.144
  190    HE1  HIS  78           HE1      HIS  78 -21.734   0.842 -15.387
  191    H    SER  79           H        SER  79 -21.821   3.095 -11.125
  192    HA   SER  79           HA       SER  79 -24.748   3.047 -10.996
  193   1HB   SER  79          2HB       SER  79 -24.454   2.460 -13.399
  194   2HB   SER  79          1HB       SER  79 -23.361   1.146 -12.984
  195    HG   SER  79           HG       SER  79 -25.280   0.473 -11.562
  196    H    ARG  80           H        ARG  80 -22.407   2.737  -9.339
  197    HA   ARG  80           HA       ARG  80 -21.511   1.474  -7.634
  198   1HB   ARG  80          2HB       ARG  80 -23.833   2.122  -6.898
  199   2HB   ARG  80          1HB       ARG  80 -24.404   0.555  -7.435
  200   1HG   ARG  80          2HG       ARG  80 -22.800  -0.550  -5.815
  201   2HG   ARG  80          1HG       ARG  80 -22.258   1.033  -5.312
  202   1HD   ARG  80          2HD       ARG  80 -24.497   1.560  -4.442
  203   2HD   ARG  80          1HD       ARG  80 -25.122   0.030  -5.071
  204    HE   ARG  80           HE       ARG  80 -23.013  -0.775  -3.508
  205   1HH1  ARG  80          2HH1      ARG  80 -26.114  -0.625  -3.072
  206   2HH1  ARG  80          1HH1      ARG  80 -26.173  -0.166  -1.400
  207   1HH2  ARG  80          1HH2      ARG  80 -22.729   0.680  -1.454
  208   2HH2  ARG  80          2HH2      ARG  80 -24.120   0.631  -0.430
  209    H    ILE  81           H        ILE  81 -20.617   0.231  -9.614
  210    HA   ILE  81           HA       ILE  81 -21.441  -2.568  -9.809
  211    HB   ILE  81           HB       ILE  81 -19.380  -0.734 -11.086
  212   1HG1  ILE  81          2HG1      ILE  81 -20.440  -1.469 -13.150
  213   2HG1  ILE  81          1HG1      ILE  81 -21.223  -2.811 -12.339
  214   1HG2  ILE  81          1HG2      ILE  81 -19.167  -3.754 -11.375
  215   2HG2  ILE  81          3HG2      ILE  81 -18.299  -2.563 -12.333
  216   3HG2  ILE  81          2HG2      ILE  81 -17.968  -2.716 -10.620
  217   1HD1  ILE  81          2HD1      ILE  81 -21.865   0.107 -11.829
  218   2HD1  ILE  81          1HD1      ILE  81 -22.827  -1.001 -12.798
  219   3HD1  ILE  81          3HD1      ILE  81 -22.674  -1.255 -11.078
  220    H    GLY  82           H        GLY  82 -19.930  -0.991  -7.449
  221   1HA   GLY  82          2HA       GLY  82 -17.652  -2.532  -6.735
  222   2HA   GLY  82          1HA       GLY  82 -18.681  -1.721  -5.552
  223    H    VAL  83           H        VAL  83 -20.995  -3.223  -6.557
  224    HA   VAL  83           HA       VAL  83 -21.010  -5.382  -4.722
  225    HB   VAL  83           HB       VAL  83 -22.784  -4.804  -7.151
  226   1HG1  VAL  83          1HG1      VAL  83 -23.365  -6.416  -4.645
  227   2HG1  VAL  83          3HG1      VAL  83 -24.525  -6.034  -5.913
  228   3HG1  VAL  83          2HG1      VAL  83 -23.148  -7.065  -6.264
  229   1HG2  VAL  83          1HG2      VAL  83 -23.101  -3.909  -4.235
  230   2HG2  VAL  83          3HG2      VAL  83 -22.672  -2.857  -5.576
  231   3HG2  VAL  83          2HG2      VAL  83 -24.250  -3.606  -5.528
  232    H    THR  84           H        THR  84 -19.827  -5.179  -7.915
  233    HA   THR  84           HA       THR  84 -19.190  -8.098  -7.789
  234    HB   THR  84           HB       THR  84 -20.409  -6.872 -10.356
  235    HG1  THR  84           HG1      THR  84 -21.422  -7.891  -7.944
  236   1HG2  THR  84          3HG2      THR  84 -19.153  -9.191 -10.441
  237   2HG2  THR  84          2HG2      THR  84 -20.311  -9.753  -9.260
  238   3HG2  THR  84          1HG2      THR  84 -20.859  -9.254 -10.849
  239    H    ARG  85           H        ARG  85 -18.014  -5.075  -8.372
  240    HA   ARG  85           HA       ARG  85 -16.191  -4.220  -9.625
  241   1HB   ARG  85          2HB       ARG  85 -15.514  -5.019  -7.317
  242   2HB   ARG  85          1HB       ARG  85 -14.928  -6.498  -8.052
  243   1HG   ARG  85          2HG       ARG  85 -13.333  -5.067  -9.485
  244   2HG   ARG  85          1HG       ARG  85 -13.903  -3.675  -8.594
  245   1HD   ARG  85          2HD       ARG  85 -13.040  -4.599  -6.495
  246   2HD   ARG  85          1HD       ARG  85 -12.618  -6.112  -7.298
  247    HE   ARG  85           HE       ARG  85 -11.368  -3.776  -8.527
  248   1HH1  ARG  85          1HH2      ARG  85  -9.714  -5.861  -8.873
  249   2HH1  ARG  85          2HH2      ARG  85  -8.626  -5.925  -7.530
  250   1HH2  ARG  85          2HH1      ARG  85 -10.742  -3.940  -5.537
  251   2HH2  ARG  85          1HH1      ARG  85  -9.250  -4.811  -5.557
  252    H    GLN  86           HN       GLN  86 -17.396  -5.672 -11.523
  253    HA   GLN  86           HA       GLN  86 -15.591  -7.682 -12.643
  254   1HB   GLN  86          2HB       GLN  86 -18.009  -6.271 -13.885
  255   2HB   GLN  86          1HB       GLN  86 -17.190  -7.660 -14.577
  256   1HG   GLN  86          2HG       GLN  86 -17.712  -8.987 -12.489
  257   2HG   GLN  86          1HG       GLN  86 -18.579  -7.598 -11.865
  258   1HE2  GLN  86          2HE2      GLN  86 -20.285  -9.762 -14.858
  259   2HE2  GLN  86          1HE2      GLN  86 -18.623  -9.955 -14.567
   
  No H/Q in entry =         259
  Start of MODEL    6
    1   1H    ALA  59          2H        ALA  59   5.404   3.280   0.883
    2   2H    ALA  59          1H        ALA  59   5.168   3.394   2.553
    3   3H    ALA  59          3H        ALA  59   5.746   1.949   1.885
    4    HA   ALA  59           HA       ALA  59   3.691   1.196   1.652
    5   1HB   ALA  59          1HB       ALA  59   3.217   2.588   3.678
    6   2HB   ALA  59          3HB       ALA  59   2.841   3.963   2.646
    7   3HB   ALA  59          2HB       ALA  59   1.820   2.537   2.615
    8    H    ILE  60           H        ILE  60   4.882   2.246  -0.633
    9    HA   ILE  60           HA       ILE  60   3.436   4.018  -2.259
   10    HB   ILE  60           HB       ILE  60   5.629   2.844  -2.813
   11   1HG1  ILE  60          2HG1      ILE  60   5.079   2.385  -5.289
   12   2HG1  ILE  60          1HG1      ILE  60   3.429   2.809  -4.906
   13   1HG2  ILE  60          3HG2      ILE  60   5.032   0.517  -2.179
   14   2HG2  ILE  60          2HG2      ILE  60   3.919   0.438  -3.542
   15   3HG2  ILE  60          1HG2      ILE  60   5.633   0.606  -3.819
   16   1HD1  ILE  60          2HD1      ILE  60   4.267   5.042  -4.025
   17   2HD1  ILE  60          1HD1      ILE  60   5.889   4.567  -4.467
   18   3HD1  ILE  60          3HD1      ILE  60   4.679   4.786  -5.714
   19    H    ILE  61           H        ILE  61   2.759   0.607  -1.839
   20    HA   ILE  61           HA       ILE  61   0.516   0.695  -3.487
   21    HB   ILE  61           HB       ILE  61   0.065  -1.547  -2.182
   22   1HG1  ILE  61          2HG1      ILE  61   1.822  -2.466  -0.951
   23   2HG1  ILE  61          1HG1      ILE  61   2.922  -1.145  -1.218
   24   1HG2  ILE  61          2HG2      ILE  61   2.619  -1.198  -3.812
   25   2HG2  ILE  61          1HG2      ILE  61   1.855  -2.735  -3.457
   26   3HG2  ILE  61          3HG2      ILE  61   1.023  -1.552  -4.441
   27   1HD1  ILE  61          1HD1      ILE  61   0.295  -1.065   0.361
   28   2HD1  ILE  61          3HD1      ILE  61   1.909  -0.999   1.049
   29   3HD1  ILE  61          2HD1      ILE  61   1.309   0.348   0.107
   30    H    ARG  62           H        ARG  62   0.558   2.485  -1.065
   31    HA   ARG  62           HA       ARG  62  -2.293   2.173  -0.437
   32   1HB   ARG  62          2HB       ARG  62  -0.703   1.316   1.540
   33   2HB   ARG  62          1HB       ARG  62  -0.158   2.972   1.639
   34   1HG   ARG  62          2HG       ARG  62  -1.865   2.742   3.324
   35   2HG   ARG  62          1HG       ARG  62  -2.561   3.697   2.037
   36   1HD   ARG  62          2HD       ARG  62  -4.179   1.975   2.767
   37   2HD   ARG  62          1HD       ARG  62  -3.685   1.644   1.113
   38    HE   ARG  62           HE       ARG  62  -2.410  -0.224   1.871
   39   1HH1  ARG  62          2HH1      ARG  62  -1.695   1.200   4.505
   40   2HH1  ARG  62          1HH1      ARG  62  -2.441   0.160   5.663
   41   1HH2  ARG  62          1HH2      ARG  62  -4.411  -1.419   3.211
   42   2HH2  ARG  62          2HH2      ARG  62  -4.047  -1.391   4.903
   43    H    ILE  63           H        ILE  63   0.588   4.205  -0.389
   44    HA   ILE  63           HA       ILE  63  -0.803   6.573  -0.041
   45    HB   ILE  63           HB       ILE  63   1.766   5.760  -1.360
   46   1HG1  ILE  63          2HG1      ILE  63   0.729   6.453   1.383
   47   2HG1  ILE  63          1HG1      ILE  63   2.025   5.395   0.907
   48   1HG2  ILE  63          3HG2      ILE  63   0.754   8.547  -0.840
   49   2HG2  ILE  63          2HG2      ILE  63   2.387   8.107  -1.373
   50   3HG2  ILE  63          1HG2      ILE  63   1.010   7.812  -2.420
   51   1HD1  ILE  63          3HD1      ILE  63   3.472   7.345   0.520
   52   2HD1  ILE  63          2HD1      ILE  63   2.137   8.406   0.986
   53   3HD1  ILE  63          1HD1      ILE  63   2.835   7.312   2.169
   54    H    LEU  64           H        LEU  64   0.200   5.015  -3.128
   55    HA   LEU  64           HA       LEU  64  -1.084   6.978  -4.739
   56   1HB   LEU  64          2HB       LEU  64  -0.372   4.057  -5.294
   57   2HB   LEU  64          1HB       LEU  64  -1.107   5.063  -6.505
   58    HG   LEU  64           HG       LEU  64   1.353   4.984  -6.775
   59   1HD1  LEU  64          2HD1      LEU  64   0.146   6.999  -7.530
   60   2HD1  LEU  64          1HD1      LEU  64   0.351   7.757  -5.959
   61   3HD1  LEU  64          3HD1      LEU  64   1.747   7.416  -6.953
   62   1HD2  LEU  64          3HD2      LEU  64   2.062   4.774  -4.409
   63   2HD2  LEU  64          2HD2      LEU  64   2.835   6.136  -5.198
   64   3HD2  LEU  64          1HD2      LEU  64   1.523   6.422  -4.086
   65    H    GLN  65           H        GLN  65  -2.315   4.202  -3.150
   66    HA   GLN  65           HA       GLN  65  -4.747   3.886  -4.554
   67   1HB   GLN  65          2HB       GLN  65  -3.917   3.292  -1.670
   68   2HB   GLN  65          1HB       GLN  65  -5.456   2.845  -2.326
   69   1HG   GLN  65          2HG       GLN  65  -3.583   1.014  -2.470
   70   2HG   GLN  65          1HG       GLN  65  -4.496   1.310  -3.928
   71   1HE2  GLN  65          2HE2      GLN  65  -0.642   2.741  -3.844
   72   2HE2  GLN  65          1HE2      GLN  65  -1.524   2.717  -2.400
   73    H    GLN  66           H        GLN  66  -3.742   6.362  -2.328
   74    HA   GLN  66           HA       GLN  66  -6.437   7.147  -1.689
   75   1HB   GLN  66          2HB       GLN  66  -3.708   8.515  -1.495
   76   2HB   GLN  66          1HB       GLN  66  -5.181   9.249  -0.967
   77   1HG   GLN  66          2HG       GLN  66  -5.481   7.118   0.545
   78   2HG   GLN  66          1HG       GLN  66  -3.770   6.841   0.208
   79   1HE2  GLN  66          2HE2      GLN  66  -2.953   9.265   2.682
   80   2HE2  GLN  66          1HE2      GLN  66  -2.537   7.783   1.953
   81    H    LEU  67           H        LEU  67  -4.217   7.768  -4.226
   82    HA   LEU  67           HA       LEU  67  -5.765  10.058  -5.218
   83   1HB   LEU  67          2HB       LEU  67  -3.413   8.537  -6.418
   84   2HB   LEU  67          1HB       LEU  67  -4.184   9.921  -7.162
   85    HG   LEU  67           HG       LEU  67  -3.768  11.008  -4.717
   86   1HD1  LEU  67          3HD1      LEU  67  -2.719   8.990  -3.723
   87   2HD1  LEU  67          2HD1      LEU  67  -1.479   9.032  -4.964
   88   3HD1  LEU  67          1HD1      LEU  67  -1.595  10.329  -3.789
   89   1HD2  LEU  67          1HD2      LEU  67  -1.640  10.814  -6.881
   90   2HD2  LEU  67          3HD2      LEU  67  -2.982  11.946  -6.842
   91   3HD2  LEU  67          2HD2      LEU  67  -1.729  12.041  -5.625
   92    H    LEU  68           H        LEU  68  -4.992   6.759  -6.038
   93    HA   LEU  68           HA       LEU  68  -6.754   6.627  -8.342
   94   1HB   LEU  68          2HB       LEU  68  -6.076   4.321  -6.398
   95   2HB   LEU  68          1HB       LEU  68  -6.532   4.133  -8.071
   96    HG   LEU  68           HG       LEU  68  -4.013   5.453  -7.067
   97   1HD1  LEU  68          1HD1      LEU  68  -4.389   2.756  -8.436
   98   2HD1  LEU  68          3HD1      LEU  68  -2.828   3.458  -8.031
   99   3HD1  LEU  68          2HD1      LEU  68  -3.935   2.996  -6.757
  100   1HD2  LEU  68          3HD2      LEU  68  -4.850   4.823  -9.927
  101   2HD2  LEU  68          2HD2      LEU  68  -4.701   6.430  -9.233
  102   3HD2  LEU  68          1HD2      LEU  68  -3.274   5.449  -9.467
  103    H    PHE  69           H        PHE  69  -7.157   6.164  -4.931
  104    HA   PHE  69           HA       PHE  69  -9.706   5.098  -4.765
  105   1HB   PHE  69          2HB       PHE  69  -8.595   5.838  -2.705
  106   2HB   PHE  69          1HB       PHE  69  -8.614   7.512  -3.223
  107    HD1  PHE  69           HD1      PHE  69 -10.833   4.681  -2.198
  108    HD2  PHE  69           HD2      PHE  69 -10.481   8.897  -2.710
  109    HE1  PHE  69           HE1      PHE  69 -12.967   5.009  -1.027
  110    HE2  PHE  69           HE2      PHE  69 -12.615   9.215  -1.541
  111    HZ   PHE  69           HZ       PHE  69 -13.850   7.274  -0.693
  112    H    ILE  70           H        ILE  70  -8.926   8.356  -5.638
  113    HA   ILE  70           HA       ILE  70 -11.629   9.244  -5.887
  114    HB   ILE  70           HB       ILE  70  -9.171  10.330  -7.207
  115   1HG1  ILE  70          2HG1      ILE  70 -10.450  10.343  -4.443
  116   2HG1  ILE  70          1HG1      ILE  70  -8.766  10.332  -4.889
  117   1HG2  ILE  70          2HG2      ILE  70 -11.390  11.125  -8.198
  118   2HG2  ILE  70          1HG2      ILE  70 -11.914  11.562  -6.583
  119   3HG2  ILE  70          3HG2      ILE  70 -10.556  12.393  -7.332
  120   1HD1  ILE  70          3HD1      ILE  70  -8.954  12.695  -5.553
  121   2HD1  ILE  70          2HD1      ILE  70 -10.655  12.669  -5.068
  122   3HD1  ILE  70          1HD1      ILE  70  -9.402  12.424  -3.859
  123    H    HIS  71           H        HIS  71  -9.339   8.340  -8.371
  124    HA   HIS  71           HA       HIS  71 -11.410   8.306 -10.447
  125   1HB   HIS  71          2HB       HIS  71  -8.483   7.439 -10.483
  126   2HB   HIS  71          1HB       HIS  71  -9.523   7.382 -11.904
  127    HD1  HIS  71           HD1      HIS  71  -7.559   9.211 -12.608
  128    HD2  HIS  71           HD2      HIS  71 -10.514  10.443  -9.964
  129    HE1  HIS  71           HE1      HIS  71  -7.646  11.702 -12.577
  130    H    PHE  72           H        PHE  72 -10.587   6.136  -8.148
  131    HA   PHE  72           HA       PHE  72 -11.463   3.815  -9.732
  132   1HB   PHE  72          2HB       PHE  72  -9.983   4.057  -7.062
  133   2HB   PHE  72          1HB       PHE  72 -10.734   2.564  -7.582
  134    HD1  PHE  72           HD1      PHE  72  -9.046   4.834 -10.057
  135    HD2  PHE  72           HD2      PHE  72  -8.657   1.340  -7.648
  136    HE1  PHE  72           HE1      PHE  72  -7.058   4.188 -11.304
  137    HE2  PHE  72           HE2      PHE  72  -6.677   0.703  -8.907
  138    HZ   PHE  72           HZ       PHE  72  -5.859   2.123 -10.745
  139    H    ARG  73           H        ARG  73 -12.433   6.057  -7.176
  140    HA   ARG  73           HA       ARG  73 -14.568   4.189  -6.455
  141   1HB   ARG  73          2HB       ARG  73 -13.431   5.665  -4.730
  142   2HB   ARG  73          1HB       ARG  73 -14.162   7.065  -5.492
  143   1HG   ARG  73          2HG       ARG  73 -15.871   4.713  -4.597
  144   2HG   ARG  73          1HG       ARG  73 -15.328   5.867  -3.411
  145   1HD   ARG  73          2HD       ARG  73 -17.006   6.602  -5.878
  146   2HD   ARG  73          1HD       ARG  73 -17.627   6.392  -4.255
  147    HE   ARG  73           HE       ARG  73 -16.067   8.669  -5.225
  148   1HH1  ARG  73          1HH2      ARG  73 -14.850   7.558  -2.697
  149   2HH1  ARG  73          2HH2      ARG  73 -15.642   8.497  -1.478
  150   1HH2  ARG  73          2HH1      ARG  73 -18.151   9.551  -3.699
  151   2HH2  ARG  73          1HH1      ARG  73 -17.594   9.679  -2.067
  152    H    ILE  74           H        ILE  74 -14.325   7.499  -7.748
  153    HA   ILE  74           HA       ILE  74 -16.990   8.000  -8.374
  154    HB   ILE  74           HB       ILE  74 -14.532   8.708 -10.057
  155   1HG1  ILE  74          2HG1      ILE  74 -15.980  10.266  -7.844
  156   2HG1  ILE  74          1HG1      ILE  74 -14.439   9.466  -7.639
  157   1HG2  ILE  74          1HG2      ILE  74 -16.683   9.047 -11.318
  158   2HG2  ILE  74          3HG2      ILE  74 -17.301  10.017  -9.996
  159   3HG2  ILE  74          2HG2      ILE  74 -15.933  10.577 -10.942
  160   1HD1  ILE  74          3HD1      ILE  74 -13.441  10.931  -9.400
  161   2HD1  ILE  74          2HD1      ILE  74 -14.973  11.780  -9.555
  162   3HD1  ILE  74          1HD1      ILE  74 -14.085  11.847  -8.052
  163    H    GLY  75           H        GLY  75 -14.769   6.108 -10.323
  164   1HA   GLY  75          2HA       GLY  75 -16.451   5.732 -12.600
  165   2HA   GLY  75          1HA       GLY  75 -15.189   4.609 -12.129
  166    H    CYS  76           H        CYS  76 -16.337   3.857  -9.603
  167    HA   CYS  76           HA       CYS  76 -18.289   1.925 -10.615
  168   1HB   CYS  76          2HB       CYS  76 -17.116   2.411  -7.882
  169   2HB   CYS  76          1HB       CYS  76 -18.254   1.137  -8.203
  170    HG   CYS  76           HG       CYS  76 -15.280   1.158  -8.999
  171    H    ARG  77           H        ARG  77 -18.732   4.863  -9.895
  172    HA   ARG  77           HA       ARG  77 -21.079   4.732  -8.146
  173   1HB   ARG  77          2HB       ARG  77 -19.418   6.723  -8.280
  174   2HB   ARG  77          1HB       ARG  77 -20.150   7.109  -9.821
  175   1HG   ARG  77          2HG       ARG  77 -21.163   8.482  -8.045
  176   2HG   ARG  77          1HG       ARG  77 -22.365   7.401  -8.723
  177   1HD   ARG  77          2HD       ARG  77 -22.289   5.933  -6.830
  178   2HD   ARG  77          1HD       ARG  77 -20.762   6.604  -6.268
  179    HE   ARG  77           HE       ARG  77 -22.926   8.571  -6.324
  180   1HH1  ARG  77          1HH2      ARG  77 -20.522   7.432  -4.501
  181   2HH1  ARG  77          2HH2      ARG  77 -21.354   7.303  -2.996
  182   1HH2  ARG  77          2HH1      ARG  77 -24.497   7.802  -4.514
  183   2HH2  ARG  77          1HH1      ARG  77 -23.695   7.529  -3.012
  184    H    HIS  78           H        HIS  78 -20.321   4.723 -11.481
  185    HA   HIS  78           HA       HIS  78 -22.666   5.596 -12.674
  186   1HB   HIS  78          2HB       HIS  78 -22.023   4.278 -14.563
  187   2HB   HIS  78          1HB       HIS  78 -20.536   4.818 -13.836
  188    HD1  HIS  78           HD1      HIS  78 -21.241   2.142 -15.583
  189    HD2  HIS  78           HD2      HIS  78 -20.205   2.399 -11.578
  190    HE1  HIS  78           HE1      HIS  78 -20.272  -0.030 -14.840
  191    H    SER  79           H        SER  79 -22.071   2.479 -11.179
  192    HA   SER  79           HA       SER  79 -24.940   2.091 -10.845
  193   1HB   SER  79          2HB       SER  79 -23.308   0.613 -12.903
  194   2HB   SER  79          1HB       SER  79 -24.624  -0.213 -12.089
  195    HG   SER  79           HG       SER  79 -25.238   2.343 -12.974
  196    H    ARG  80           H        ARG  80 -22.561   2.187  -9.162
  197    HA   ARG  80           HA       ARG  80 -21.594   1.159  -7.383
  198   1HB   ARG  80          2HB       ARG  80 -24.002   1.550  -6.718
  199   2HB   ARG  80          1HB       ARG  80 -24.399  -0.058  -7.251
  200   1HG   ARG  80          2HG       ARG  80 -24.308   0.081  -4.816
  201   2HG   ARG  80          1HG       ARG  80 -23.120  -1.054  -5.382
  202   1HD   ARG  80          2HD       ARG  80 -22.471   1.857  -4.733
  203   2HD   ARG  80          1HD       ARG  80 -22.347   0.561  -3.550
  204    HE   ARG  80           HE       ARG  80 -20.836  -0.345  -5.703
  205   1HH1  ARG  80          2HH1      ARG  80 -20.250   2.504  -6.275
  206   2HH1  ARG  80          1HH1      ARG  80 -18.912   2.847  -5.245
  207   1HH2  ARG  80          1HH2      ARG  80 -19.475  -0.001  -3.270
  208   2HH2  ARG  80          2HH2      ARG  80 -18.432   1.364  -3.488
  209    H    ILE  81           H        ILE  81 -21.652  -0.573  -9.834
  210    HA   ILE  81           HA       ILE  81 -21.593  -3.300  -9.057
  211    HB   ILE  81           HB       ILE  81 -19.876  -1.958 -11.215
  212   1HG1  ILE  81          2HG1      ILE  81 -21.675  -3.527 -12.576
  213   2HG1  ILE  81          1HG1      ILE  81 -22.624  -3.202 -11.140
  214   1HG2  ILE  81          3HG2      ILE  81 -20.302  -4.943 -10.823
  215   2HG2  ILE  81          2HG2      ILE  81 -19.496  -4.199 -12.193
  216   3HG2  ILE  81          1HG2      ILE  81 -18.778  -4.107 -10.602
  217   1HD1  ILE  81          2HD1      ILE  81 -22.255  -0.778 -11.472
  218   2HD1  ILE  81          1HD1      ILE  81 -21.302  -1.139 -12.892
  219   3HD1  ILE  81          3HD1      ILE  81 -23.014  -1.525 -12.872
  220    H    GLY  82           H        GLY  82 -19.413  -0.906  -8.484
  221   1HA   GLY  82          2HA       GLY  82 -17.357  -0.788  -7.208
  222   2HA   GLY  82          1HA       GLY  82 -18.005  -2.201  -6.389
  223    H    VAL  83           H        VAL  83 -17.154  -1.850  -9.717
  224    HA   VAL  83           HA       VAL  83 -15.826  -4.343  -9.923
  225    HB   VAL  83           HB       VAL  83 -16.893  -3.195 -11.789
  226   1HG1  VAL  83          1HG1      VAL  83 -16.452  -0.817 -11.244
  227   2HG1  VAL  83          3HG1      VAL  83 -14.762  -1.065 -11.656
  228   3HG1  VAL  83          2HG1      VAL  83 -15.994  -1.188 -12.885
  229   1HG2  VAL  83          3HG2      VAL  83 -15.085  -4.720 -12.369
  230   2HG2  VAL  83          2HG2      VAL  83 -15.145  -3.394 -13.522
  231   3HG2  VAL  83          1HG2      VAL  83 -13.913  -3.411 -12.261
  232    H    THR  84           H        THR  84 -14.637  -1.201  -9.240
  233    HA   THR  84           HA       THR  84 -11.798  -2.103  -9.130
  234    HB   THR  84           HB       THR  84 -11.355   0.404  -8.661
  235    HG1  THR  84           HG1      THR  84 -13.138   1.582  -8.311
  236   1HG2  THR  84          3HG2      THR  84 -11.740  -0.338 -11.150
  237   2HG2  THR  84          2HG2      THR  84 -13.420   0.103 -10.908
  238   3HG2  THR  84          1HG2      THR  84 -12.181   1.327 -10.804
  239    H    ARG  85           H        ARG  85 -14.145  -0.528  -7.191
  240    HA   ARG  85           HA       ARG  85 -14.534  -0.241  -4.897
  241   1HB   ARG  85          2HB       ARG  85 -15.154  -2.602  -5.351
  242   2HB   ARG  85          1HB       ARG  85 -13.535  -3.127  -4.937
  243   1HG   ARG  85          2HG       ARG  85 -13.873  -2.792  -2.637
  244   2HG   ARG  85          1HG       ARG  85 -15.070  -1.533  -2.884
  245   1HD   ARG  85          2HD       ARG  85 -16.068  -3.678  -2.015
  246   2HD   ARG  85          1HD       ARG  85 -16.743  -3.214  -3.572
  247    HE   ARG  85           HE       ARG  85 -14.479  -5.011  -3.862
  248   1HH1  ARG  85          1HH2      ARG  85 -16.824  -5.090  -5.621
  249   2HH1  ARG  85          2HH2      ARG  85 -17.673  -6.511  -5.109
  250   1HH2  ARG  85          2HH1      ARG  85 -15.930  -6.657  -2.054
  251   2HH2  ARG  85          1HH1      ARG  85 -17.145  -7.436  -3.011
  252    H    GLN  86           HN       GLN  86 -12.089   0.754  -5.703
  253    HA   GLN  86           HA       GLN  86 -10.557   0.624  -3.142
  254   1HB   GLN  86          2HB       GLN  86  -9.415   0.333  -5.949
  255   2HB   GLN  86          1HB       GLN  86  -8.402   0.823  -4.611
  256   1HG   GLN  86          2HG       GLN  86  -9.042  -1.294  -3.416
  257   2HG   GLN  86          1HG       GLN  86  -9.963  -1.787  -4.826
  258   1HE2  GLN  86          2HE2      GLN  86  -6.929  -3.287  -5.886
  259   2HE2  GLN  86          1HE2      GLN  86  -8.503  -3.569  -5.313
   
  No H/Q in entry =         259
  Start of MODEL    7
    1   1H    ALA  59          2H        ALA  59   5.258   2.777  -0.045
    2   2H    ALA  59          1H        ALA  59   5.307   3.211   1.592
    3   3H    ALA  59          3H        ALA  59   5.602   1.603   1.140
    4    HA   ALA  59           HA       ALA  59   3.465   1.118   1.328
    5   1HB   ALA  59          2HB       ALA  59   3.468   2.909   3.084
    6   2HB   ALA  59          1HB       ALA  59   3.088   4.110   1.855
    7   3HB   ALA  59          3HB       ALA  59   1.930   2.849   2.246
    8    H    ILE  60           H        ILE  60   4.403   1.474  -1.195
    9    HA   ILE  60           HA       ILE  60   3.077   3.129  -3.026
   10    HB   ILE  60           HB       ILE  60   3.717   0.153  -3.415
   11   1HG1  ILE  60          2HG1      ILE  60   5.748   1.262  -2.591
   12   2HG1  ILE  60          1HG1      ILE  60   5.915   0.907  -4.285
   13   1HG2  ILE  60          1HG2      ILE  60   3.531   2.358  -5.513
   14   2HG2  ILE  60          3HG2      ILE  60   4.001   0.699  -5.807
   15   3HG2  ILE  60          2HG2      ILE  60   2.377   1.061  -5.280
   16   1HD1  ILE  60          1HD1      ILE  60   5.164   3.658  -3.194
   17   2HD1  ILE  60          3HD1      ILE  60   6.747   3.184  -3.767
   18   3HD1  ILE  60          2HD1      ILE  60   5.404   3.253  -4.885
   19    H    ILE  61           H        ILE  61   1.895   0.098  -1.708
   20    HA   ILE  61           HA       ILE  61  -0.533   0.343  -3.163
   21    HB   ILE  61           HB       ILE  61  -1.102  -1.507  -1.191
   22   1HG1  ILE  61          2HG1      ILE  61   1.220  -1.043  -0.181
   23   2HG1  ILE  61          1HG1      ILE  61   0.647  -2.670  -0.395
   24   1HG2  ILE  61          1HG2      ILE  61   0.454  -2.049  -3.747
   25   2HG2  ILE  61          3HG2      ILE  61  -0.394  -3.263  -2.799
   26   3HG2  ILE  61          2HG2      ILE  61  -1.288  -1.968  -3.572
   27   1HD1  ILE  61          1HD1      ILE  61   2.561  -1.366  -2.415
   28   2HD1  ILE  61          3HD1      ILE  61   3.048  -2.428  -1.109
   29   3HD1  ILE  61          2HD1      ILE  61   2.007  -3.017  -2.382
   30    H    ARG  62           H        ARG  62   0.170   2.525  -1.397
   31    HA   ARG  62           HA       ARG  62  -2.442   2.899  -0.147
   32   1HB   ARG  62          2HB       ARG  62  -0.359   2.084   1.520
   33   2HB   ARG  62          1HB       ARG  62   0.037   3.785   1.405
   34   1HG   ARG  62          2HG       ARG  62  -1.332   3.566   3.358
   35   2HG   ARG  62          1HG       ARG  62  -2.353   4.304   2.142
   36   1HD   ARG  62          2HD       ARG  62  -3.307   2.014   1.596
   37   2HD   ARG  62          1HD       ARG  62  -2.311   1.335   2.883
   38    HE   ARG  62           HE       ARG  62  -4.455   3.369   3.337
   39   1HH1  ARG  62          1HH2      ARG  62  -3.314   3.394   5.770
   40   2HH1  ARG  62          2HH2      ARG  62  -3.813   1.974   6.622
   41   1HH2  ARG  62          2HH1      ARG  62  -4.772   0.319   3.692
   42   2HH2  ARG  62          1HH1      ARG  62  -4.651   0.173   5.410
   43    H    ILE  63           H        ILE  63   0.733   4.312  -0.844
   44    HA   ILE  63           HA       ILE  63  -0.134   6.899  -0.884
   45    HB   ILE  63           HB       ILE  63   1.994   5.334  -2.309
   46   1HG1  ILE  63          2HG1      ILE  63   1.582   6.751   0.304
   47   2HG1  ILE  63          1HG1      ILE  63   2.572   5.371  -0.083
   48   1HG2  ILE  63          1HG2      ILE  63   1.639   8.323  -2.339
   49   2HG2  ILE  63          3HG2      ILE  63   3.044   7.419  -2.929
   50   3HG2  ILE  63          2HG2      ILE  63   1.491   7.241  -3.724
   51   1HD1  ILE  63          1HD1      ILE  63   4.259   6.863  -1.067
   52   2HD1  ILE  63          3HD1      ILE  63   3.228   8.249  -0.694
   53   3HD1  ILE  63          2HD1      ILE  63   3.897   7.282   0.611
   54    H    LEU  64           H        LEU  64   0.051   4.629  -3.654
   55    HA   LEU  64           HA       LEU  64  -1.175   6.551  -5.427
   56   1HB   LEU  64          2HB       LEU  64  -0.924   3.513  -5.688
   57   2HB   LEU  64          1HB       LEU  64  -1.562   4.533  -6.942
   58    HG   LEU  64           HG       LEU  64   0.733   4.044  -7.489
   59   1HD1  LEU  64          1HD1      LEU  64   0.016   6.336  -8.052
   60   2HD1  LEU  64          3HD1      LEU  64   0.595   6.924  -6.500
   61   3HD1  LEU  64          2HD1      LEU  64   1.725   6.296  -7.677
   62   1HD2  LEU  64          1HD2      LEU  64   1.628   3.479  -5.277
   63   2HD2  LEU  64          3HD2      LEU  64   2.652   4.638  -6.093
   64   3HD2  LEU  64          2HD2      LEU  64   1.604   5.173  -4.801
   65    H    GLN  65           H        GLN  65  -2.435   4.219  -3.257
   66    HA   GLN  65           HA       GLN  65  -5.037   3.910  -4.347
   67   1HB   GLN  65          2HB       GLN  65  -3.889   3.682  -1.534
   68   2HB   GLN  65          1HB       GLN  65  -5.554   3.338  -1.886
   69   1HG   GLN  65          2HG       GLN  65  -3.942   1.284  -1.975
   70   2HG   GLN  65          1HG       GLN  65  -5.039   1.485  -3.320
   71   1HE2  GLN  65          2HE2      GLN  65  -1.095   2.401  -4.017
   72   2HE2  GLN  65          1HE2      GLN  65  -1.754   2.759  -2.501
   73    H    GLN  66           H        GLN  66  -3.556   6.528  -2.602
   74    HA   GLN  66           HA       GLN  66  -6.026   7.725  -1.814
   75   1HB   GLN  66          2HB       GLN  66  -3.238   8.845  -2.410
   76   2HB   GLN  66          1HB       GLN  66  -4.499   9.763  -1.649
   77   1HG   GLN  66          2HG       GLN  66  -4.509   8.114   0.280
   78   2HG   GLN  66          1HG       GLN  66  -3.136   7.291  -0.464
   79   1HE2  GLN  66          2HE2      GLN  66  -1.258  10.565  -0.037
   80   2HE2  GLN  66          1HE2      GLN  66  -1.767   9.703  -1.419
   81    H    LEU  67           H        LEU  67  -4.249   7.598  -4.733
   82    HA   LEU  67           HA       LEU  67  -5.795   9.778  -5.938
   83   1HB   LEU  67          2HB       LEU  67  -3.798   7.836  -7.175
   84   2HB   LEU  67          1HB       LEU  67  -4.622   9.110  -8.040
   85    HG   LEU  67           HG       LEU  67  -3.678  10.607  -5.997
   86   1HD1  LEU  67          2HD1      LEU  67  -2.577   8.724  -4.822
   87   2HD1  LEU  67          1HD1      LEU  67  -1.601   8.413  -6.248
   88   3HD1  LEU  67          3HD1      LEU  67  -1.409   9.911  -5.359
   89   1HD2  LEU  67          2HD2      LEU  67  -2.033   9.784  -8.431
   90   2HD2  LEU  67          1HD2      LEU  67  -3.279  11.024  -8.393
   91   3HD2  LEU  67          3HD2      LEU  67  -1.800  11.240  -7.479
   92    H    LEU  68           H        LEU  68  -5.395   6.292  -6.093
   93    HA   LEU  68           HA       LEU  68  -7.454   5.825  -8.071
   94   1HB   LEU  68          2HB       LEU  68  -6.891   3.951  -5.707
   95   2HB   LEU  68          1HB       LEU  68  -7.518   3.497  -7.277
   96    HG   LEU  68           HG       LEU  68  -4.779   4.519  -6.627
   97   1HD1  LEU  68          3HD1      LEU  68  -5.126   2.147  -6.059
   98   2HD1  LEU  68          2HD1      LEU  68  -5.725   1.818  -7.674
   99   3HD1  LEU  68          1HD1      LEU  68  -4.040   2.246  -7.425
  100   1HD2  LEU  68          2HD2      LEU  68  -5.895   3.769  -9.374
  101   2HD2  LEU  68          1HD2      LEU  68  -5.439   5.391  -8.877
  102   3HD2  LEU  68          3HD2      LEU  68  -4.215   4.158  -9.055
  103    H    PHE  69           H        PHE  69  -7.504   6.487  -4.715
  104    HA   PHE  69           HA       PHE  69 -10.090   5.704  -3.978
  105   1HB   PHE  69          2HB       PHE  69  -8.532   6.881  -2.413
  106   2HB   PHE  69          1HB       PHE  69  -8.704   8.362  -3.329
  107    HD1  PHE  69           HD1      PHE  69 -10.635   5.887  -1.328
  108    HD2  PHE  69           HD2      PHE  69 -10.502   9.855  -2.874
  109    HE1  PHE  69           HE1      PHE  69 -12.610   6.484   0.014
  110    HE2  PHE  69           HE2      PHE  69 -12.474  10.444  -1.527
  111    HZ   PHE  69           HZ       PHE  69 -13.524   8.759  -0.088
  112    H    ILE  70           H        ILE  70  -9.153   8.560  -5.715
  113    HA   ILE  70           HA       ILE  70 -11.789   9.531  -6.089
  114    HB   ILE  70           HB       ILE  70  -9.189  10.139  -7.474
  115   1HG1  ILE  70          2HG1      ILE  70  -9.952  12.253  -5.978
  116   2HG1  ILE  70          1HG1      ILE  70 -10.737  11.050  -5.045
  117   1HG2  ILE  70          2HG2      ILE  70 -11.137  10.821  -8.961
  118   2HG2  ILE  70          1HG2      ILE  70 -11.810  11.708  -7.606
  119   3HG2  ILE  70          3HG2      ILE  70 -10.277  12.197  -8.312
  120   1HD1  ILE  70          1HD1      ILE  70  -7.766  11.115  -5.703
  121   2HD1  ILE  70          3HD1      ILE  70  -8.492  11.498  -4.151
  122   3HD1  ILE  70          2HD1      ILE  70  -8.545   9.870  -4.757
  123    H    HIS  71           H        HIS  71  -9.655   7.912  -8.305
  124    HA   HIS  71           HA       HIS  71 -11.579   7.855 -10.467
  125   1HB   HIS  71          2HB       HIS  71  -9.221   5.967 -10.043
  126   2HB   HIS  71          1HB       HIS  71 -10.076   6.240 -11.556
  127    HD1  HIS  71           HD1      HIS  71  -7.152   6.879 -11.552
  128    HD2  HIS  71           HD2      HIS  71 -10.059   9.661 -10.506
  129    HE1  HIS  71           HE1      HIS  71  -6.233   9.169 -11.854
  130    H    PHE  72           H        PHE  72 -11.179   5.737  -7.752
  131    HA   PHE  72           HA       PHE  72 -12.871   3.690  -8.985
  132   1HB   PHE  72          2HB       PHE  72 -10.794   3.101  -7.637
  133   2HB   PHE  72          1HB       PHE  72 -11.570   3.786  -6.218
  134    HD1  PHE  72           HD2      PHE  72 -11.631   1.003  -8.628
  135    HD2  PHE  72           HD1      PHE  72 -13.467   2.643  -5.153
  136    HE1  PHE  72           HE2      PHE  72 -12.770  -1.126  -8.230
  137    HE2  PHE  72           HE1      PHE  72 -14.610   0.501  -4.753
  138    HZ   PHE  72           HZ       PHE  72 -14.261  -1.389  -6.292
  139    H    ARG  73           H        ARG  73 -12.851   6.151  -6.392
  140    HA   ARG  73           HA       ARG  73 -15.406   5.229  -5.517
  141   1HB   ARG  73          2HB       ARG  73 -13.794   6.665  -4.130
  142   2HB   ARG  73          1HB       ARG  73 -14.313   8.057  -5.085
  143   1HG   ARG  73          2HG       ARG  73 -16.619   7.747  -4.316
  144   2HG   ARG  73          1HG       ARG  73 -16.231   6.195  -3.595
  145   1HD   ARG  73          2HD       ARG  73 -14.560   7.486  -2.113
  146   2HD   ARG  73          1HD       ARG  73 -15.382   8.949  -2.662
  147    HE   ARG  73           HE       ARG  73 -16.640   6.707  -1.135
  148   1HH1  ARG  73          2HH1      ARG  73 -16.005   9.895  -0.943
  149   2HH1  ARG  73          1HH1      ARG  73 -17.612  10.443  -0.612
  150   1HH2  ARG  73          1HH2      ARG  73 -18.999   7.302  -1.366
  151   2HH2  ARG  73          2HH2      ARG  73 -19.373   8.907  -0.849
  152    H    ILE  74           H        ILE  74 -14.274   7.642  -7.779
  153    HA   ILE  74           HA       ILE  74 -16.981   8.580  -8.362
  154    HB   ILE  74           HB       ILE  74 -14.308   9.011  -9.810
  155   1HG1  ILE  74          2HG1      ILE  74 -15.937  10.780  -7.918
  156   2HG1  ILE  74          1HG1      ILE  74 -14.412  10.014  -7.548
  157   1HG2  ILE  74          2HG2      ILE  74 -16.257   9.265 -11.383
  158   2HG2  ILE  74          1HG2      ILE  74 -16.973  10.428 -10.287
  159   3HG2  ILE  74          3HG2      ILE  74 -15.469  10.796 -11.109
  160   1HD1  ILE  74          2HD1      ILE  74 -13.310  11.362  -9.346
  161   2HD1  ILE  74          1HD1      ILE  74 -14.837  12.174  -9.660
  162   3HD1  ILE  74          3HD1      ILE  74 -14.046  12.373  -8.113
  163    H    GLY  75           H        GLY  75 -14.496   6.587  -9.918
  164   1HA   GLY  75          2HA       GLY  75 -15.877   5.865 -12.255
  165   2HA   GLY  75          1HA       GLY  75 -14.698   4.838 -11.463
  166    H    CYS  76           H        CYS  76 -15.899   4.088  -9.166
  167    HA   CYS  76           HA       CYS  76 -17.806   2.192 -10.137
  168   1HB   CYS  76          2HB       CYS  76 -16.968   2.917  -7.323
  169   2HB   CYS  76          1HB       CYS  76 -17.941   1.539  -7.718
  170    HG   CYS  76           HG       CYS  76 -14.899   1.746  -8.074
  171    H    ARG  77           H        ARG  77 -18.406   5.174  -9.629
  172    HA   ARG  77           HA       ARG  77 -20.943   4.994  -8.160
  173   1HB   ARG  77          2HB       ARG  77 -19.393   7.091  -8.332
  174   2HB   ARG  77          1HB       ARG  77 -19.968   7.281  -9.966
  175   1HG   ARG  77          2HG       ARG  77 -21.870   7.284  -7.594
  176   2HG   ARG  77          1HG       ARG  77 -21.055   8.737  -8.133
  177   1HD   ARG  77          2HD       ARG  77 -22.105   8.419 -10.418
  178   2HD   ARG  77          1HD       ARG  77 -23.062   7.106  -9.748
  179    HE   ARG  77           HE       ARG  77 -23.289   9.963  -8.960
  180   1HH1  ARG  77          2HH1      ARG  77 -24.024   8.634  -6.606
  181   2HH1  ARG  77          1HH1      ARG  77 -25.675   8.162  -6.817
  182   1HH2  ARG  77          1HH2      ARG  77 -25.486   8.536 -10.310
  183   2HH2  ARG  77          2HH2      ARG  77 -26.537   8.101  -9.006
  184    H    HIS  78           H        HIS  78 -19.867   4.910 -11.420
  185    HA   HIS  78           HA       HIS  78 -22.145   5.335 -12.943
  186   1HB   HIS  78          2HB       HIS  78 -21.024   4.162 -14.664
  187   2HB   HIS  78          1HB       HIS  78 -19.671   4.481 -13.600
  188    HD1  HIS  78           HD1      HIS  78 -21.564   1.673 -15.030
  189    HD2  HIS  78           HD2      HIS  78 -18.956   2.373 -11.877
  190    HE1  HIS  78           HE1      HIS  78 -20.720  -0.511 -14.188
  191    H    SER  79           H        SER  79 -21.286   2.507 -11.177
  192    HA   SER  79           HA       SER  79 -23.784   1.592 -10.349
  193   1HB   SER  79          2HB       SER  79 -24.209   1.258 -12.953
  194   2HB   SER  79          1HB       SER  79 -22.993  -0.021 -12.837
  195    HG   SER  79           HG       SER  79 -25.550   0.117 -11.794
  196    H    ARG  80           H        ARG  80 -21.481   1.630  -9.075
  197    HA   ARG  80           HA       ARG  80 -19.727   0.430  -8.092
  198   1HB   ARG  80          2HB       ARG  80 -21.868   0.010  -6.844
  199   2HB   ARG  80          1HB       ARG  80 -22.074  -1.454  -7.767
  200   1HG   ARG  80          2HG       ARG  80 -20.557  -2.652  -6.550
  201   2HG   ARG  80          1HG       ARG  80 -19.401  -1.337  -6.498
  202   1HD   ARG  80          2HD       ARG  80 -21.897  -1.298  -4.775
  203   2HD   ARG  80          1HD       ARG  80 -20.411  -2.084  -4.255
  204    HE   ARG  80           HE       ARG  80 -19.327   0.039  -4.163
  205   1HH1  ARG  80          2HH1      ARG  80 -20.165   1.560  -6.425
  206   2HH1  ARG  80          1HH1      ARG  80 -21.307   2.686  -5.796
  207   1HH2  ARG  80          1HH2      ARG  80 -21.838   0.806  -2.863
  208   2HH2  ARG  80          2HH2      ARG  80 -22.296   2.247  -3.704
  209    H    ILE  81           H        ILE  81 -19.612  -0.120 -10.839
  210    HA   ILE  81           HA       ILE  81 -18.848  -1.665 -12.441
  211    HB   ILE  81           HB       ILE  81 -17.164  -2.418 -10.059
  212   1HG1  ILE  81          2HG1      ILE  81 -17.295   0.109 -10.348
  213   2HG1  ILE  81          1HG1      ILE  81 -15.693  -0.547 -10.461
  214   1HG2  ILE  81          2HG2      ILE  81 -16.725  -2.366 -13.075
  215   2HG2  ILE  81          1HG2      ILE  81 -15.438  -2.722 -11.916
  216   3HG2  ILE  81          3HG2      ILE  81 -16.822  -3.784 -12.068
  217   1HD1  ILE  81          3HD1      ILE  81 -17.384   0.170 -12.903
  218   2HD1  ILE  81          2HD1      ILE  81 -16.101   1.161 -12.232
  219   3HD1  ILE  81          1HD1      ILE  81 -15.737  -0.405 -12.923
  220    H    GLY  82           H        GLY  82 -21.044  -2.506 -11.457
  221   1HA   GLY  82          2HA       GLY  82 -20.815  -5.465 -11.371
  222   2HA   GLY  82          1HA       GLY  82 -21.894  -4.670 -10.240
  223    H    VAL  83           H        VAL  83 -21.525  -3.540 -13.436
  224    HA   VAL  83           HA       VAL  83 -24.200  -3.399 -14.134
  225    HB   VAL  83           HB       VAL  83 -22.283  -2.250 -15.178
  226   1HG1  VAL  83          2HG1      VAL  83 -20.691  -4.143 -15.374
  227   2HG1  VAL  83          1HG1      VAL  83 -21.710  -4.883 -16.601
  228   3HG1  VAL  83          3HG1      VAL  83 -20.916  -3.358 -16.922
  229   1HG2  VAL  83          1HG2      VAL  83 -24.022  -3.721 -17.173
  230   2HG2  VAL  83          3HG2      VAL  83 -24.403  -2.215 -16.356
  231   3HG2  VAL  83          2HG2      VAL  83 -23.083  -2.276 -17.514
  232    H    THR  84           H        THR  84 -22.192  -6.122 -14.538
  233    HA   THR  84           HA       THR  84 -23.761  -8.313 -14.506
  234    HB   THR  84           HB       THR  84 -23.936  -8.760 -17.203
  235    HG1  THR  84           HG1      THR  84 -24.666  -6.099 -17.139
  236   1HG2  THR  84          2HG2      THR  84 -26.165  -7.171 -15.806
  237   2HG2  THR  84          1HG2      THR  84 -26.283  -8.073 -17.301
  238   3HG2  THR  84          3HG2      THR  84 -25.961  -8.898 -15.792
  239    H    ARG  85           H        ARG  85 -21.898  -7.049 -17.155
  240    HA   ARG  85           HA       ARG  85 -20.097  -9.317 -17.330
  241   1HB   ARG  85          2HB       ARG  85 -19.886  -6.504 -18.470
  242   2HB   ARG  85          1HB       ARG  85 -18.828  -7.829 -18.925
  243   1HG   ARG  85          2HG       ARG  85 -20.820  -9.144 -19.692
  244   2HG   ARG  85          1HG       ARG  85 -21.861  -7.793 -19.278
  245   1HD   ARG  85          2HD       ARG  85 -19.571  -7.652 -21.288
  246   2HD   ARG  85          1HD       ARG  85 -21.277  -7.793 -21.707
  247    HE   ARG  85           HE       ARG  85 -20.108  -5.445 -20.245
  248   1HH1  ARG  85          2HH1      ARG  85 -23.016  -5.648 -20.052
  249   2HH1  ARG  85          1HH1      ARG  85 -23.587  -4.775 -21.431
  250   1HH2  ARG  85          1HH2      ARG  85 -20.449  -4.917 -23.019
  251   2HH2  ARG  85          2HH2      ARG  85 -22.070  -4.338 -23.176
  252    H    GLN  86           HN       GLN  86 -19.645  -9.274 -14.979
  253    HA   GLN  86           HA       GLN  86 -17.140  -7.751 -14.439
  254   1HB   GLN  86          2HB       GLN  86 -19.036  -6.713 -13.213
  255   2HB   GLN  86          1HB       GLN  86 -19.452  -8.249 -12.478
  256   1HG   GLN  86          2HG       GLN  86 -18.179  -6.864 -10.883
  257   2HG   GLN  86          1HG       GLN  86 -17.168  -8.225 -11.331
  258   1HE2  GLN  86          2HE2      GLN  86 -14.880  -5.426 -11.668
  259   2HE2  GLN  86          1HE2      GLN  86 -15.500  -6.463 -10.471
   
  No H/Q in entry =         259
  Start of MODEL    8
    1   1H    ALA  59          1H        ALA  59   5.659   3.661   0.290
    2   2H    ALA  59          3H        ALA  59   5.439   3.512   1.961
    3   3H    ALA  59          2H        ALA  59   6.259   2.296   1.107
    4    HA   ALA  59           HA       ALA  59   4.368   1.219   0.748
    5   1HB   ALA  59          1HB       ALA  59   3.675   2.245   2.944
    6   2HB   ALA  59          3HB       ALA  59   3.036   3.631   2.073
    7   3HB   ALA  59          2HB       ALA  59   2.306   2.046   1.867
    8    H    ILE  60           H        ILE  60   5.178   2.185  -1.478
    9    HA   ILE  60           HA       ILE  60   3.788   4.143  -2.942
   10    HB   ILE  60           HB       ILE  60   4.854   1.395  -3.847
   11   1HG1  ILE  60          2HG1      ILE  60   6.761   2.708  -4.836
   12   2HG1  ILE  60          1HG1      ILE  60   6.124   4.163  -4.116
   13   1HG2  ILE  60          1HG2      ILE  60   3.224   2.212  -5.525
   14   2HG2  ILE  60          3HG2      ILE  60   4.091   3.739  -5.625
   15   3HG2  ILE  60          2HG2      ILE  60   4.852   2.256  -6.160
   16   1HD1  ILE  60          2HD1      ILE  60   7.113   1.735  -2.548
   17   2HD1  ILE  60          1HD1      ILE  60   8.009   3.211  -2.826
   18   3HD1  ILE  60          3HD1      ILE  60   6.572   3.267  -1.845
   19    H    ILE  61           H        ILE  61   2.908   0.776  -2.613
   20    HA   ILE  61           HA       ILE  61   0.521   1.106  -3.997
   21    HB   ILE  61           HB       ILE  61   0.051  -1.175  -2.822
   22   1HG1  ILE  61          2HG1      ILE  61   1.818  -2.283  -1.775
   23   2HG1  ILE  61          1HG1      ILE  61   2.995  -1.033  -2.057
   24   1HG2  ILE  61          2HG2      ILE  61   2.519  -0.769  -4.559
   25   2HG2  ILE  61          1HG2      ILE  61   1.699  -2.306  -4.327
   26   3HG2  ILE  61          3HG2      ILE  61   0.871  -0.982  -5.125
   27   1HD1  ILE  61          1HD1      ILE  61   0.513  -0.844  -0.267
   28   2HD1  ILE  61          3HD1      ILE  61   2.173  -0.967   0.297
   29   3HD1  ILE  61          2HD1      ILE  61   1.633   0.485  -0.515
   30    H    ARG  62           H        ARG  62   0.944   2.764  -1.504
   31    HA   ARG  62           HA       ARG  62  -1.836   2.548  -0.600
   32   1HB   ARG  62          2HB       ARG  62  -0.071   1.570   1.134
   33   2HB   ARG  62          1HB       ARG  62   0.573   3.187   1.212
   34   1HG   ARG  62          2HG       ARG  62  -0.809   3.014   3.122
   35   2HG   ARG  62          1HG       ARG  62  -1.705   4.007   1.999
   36   1HD   ARG  62          2HD       ARG  62  -2.156   1.007   2.258
   37   2HD   ARG  62          1HD       ARG  62  -3.055   2.195   3.187
   38    HE   ARG  62           HE       ARG  62  -3.395   3.029   0.565
   39   1HH1  ARG  62          2HH1      ARG  62  -4.661   0.921   2.818
   40   2HH1  ARG  62          1HH1      ARG  62  -5.624  -0.008   1.722
   41   1HH2  ARG  62          1HH2      ARG  62  -4.247   1.517  -1.116
   42   2HH2  ARG  62          2HH2      ARG  62  -5.379   0.339  -0.555
   43    H    ILE  63           H        ILE  63   1.048   4.469  -0.920
   44    HA   ILE  63           HA       ILE  63  -0.202   6.897  -0.287
   45    HB   ILE  63           HB       ILE  63   2.215   6.036  -1.837
   46   1HG1  ILE  63          2HG1      ILE  63   1.424   6.748   1.004
   47   2HG1  ILE  63          1HG1      ILE  63   2.541   5.543   0.417
   48   1HG2  ILE  63          3HG2      ILE  63   1.386   8.844  -1.133
   49   2HG2  ILE  63          2HG2      ILE  63   2.948   8.340  -1.799
   50   3HG2  ILE  63          1HG2      ILE  63   1.490   8.163  -2.759
   51   1HD1  ILE  63          2HD1      ILE  63   4.171   7.279  -0.075
   52   2HD1  ILE  63          1HD1      ILE  63   3.027   8.504   0.492
   53   3HD1  ILE  63          3HD1      ILE  63   3.652   7.311   1.618
   54    H    LEU  64           H        LEU  64   0.563   5.411  -3.436
   55    HA   LEU  64           HA       LEU  64  -0.779   7.370  -5.022
   56   1HB   LEU  64          2HB       LEU  64  -0.522   4.414  -5.743
   57   2HB   LEU  64          1HB       LEU  64  -0.699   5.748  -6.847
   58    HG   LEU  64           HG       LEU  64   1.746   5.276  -5.060
   59   1HD1  LEU  64          1HD1      LEU  64   1.355   4.977  -8.068
   60   2HD1  LEU  64          3HD1      LEU  64   2.866   4.766  -7.214
   61   3HD1  LEU  64          2HD1      LEU  64   1.539   3.656  -6.928
   62   1HD2  LEU  64          3HD2      LEU  64   1.270   7.387  -7.224
   63   2HD2  LEU  64          2HD2      LEU  64   1.375   7.717  -5.502
   64   3HD2  LEU  64          1HD2      LEU  64   2.776   7.122  -6.366
   65    H    GLN  65           H        GLN  65  -1.893   4.632  -3.306
   66    HA   GLN  65           HA       GLN  65  -4.416   4.273  -4.549
   67   1HB   GLN  65          2HB       GLN  65  -3.263   3.585  -1.832
   68   2HB   GLN  65          1HB       GLN  65  -4.913   3.222  -2.244
   69   1HG   GLN  65          2HG       GLN  65  -3.230   1.297  -2.812
   70   2HG   GLN  65          1HG       GLN  65  -4.222   1.808  -4.151
   71   1HE2  GLN  65          2HE2      GLN  65  -0.335   3.167  -4.256
   72   2HE2  GLN  65          1HE2      GLN  65  -1.158   3.143  -2.776
   73    H    GLN  66           H        GLN  66  -3.355   6.828  -2.468
   74    HA   GLN  66           HA       GLN  66  -6.004   7.361  -1.482
   75   1HB   GLN  66          2HB       GLN  66  -3.476   9.085  -1.869
   76   2HB   GLN  66          1HB       GLN  66  -4.924   9.700  -1.162
   77   1HG   GLN  66          2HG       GLN  66  -4.678   7.946   0.689
   78   2HG   GLN  66          1HG       GLN  66  -3.100   7.565  -0.002
   79   1HE2  GLN  66          2HE2      GLN  66  -1.632  10.416   1.543
   80   2HE2  GLN  66          1HE2      GLN  66  -1.370   8.947   0.717
   81    H    LEU  67           H        LEU  67  -4.232   7.973  -4.323
   82    HA   LEU  67           HA       LEU  67  -6.164   9.925  -5.337
   83   1HB   LEU  67          2HB       LEU  67  -3.848   8.524  -6.733
   84   2HB   LEU  67          1HB       LEU  67  -4.873   9.741  -7.456
   85    HG   LEU  67           HG       LEU  67  -4.216  11.142  -5.269
   86   1HD1  LEU  67          3HD1      LEU  67  -1.851   9.257  -5.554
   87   2HD1  LEU  67          2HD1      LEU  67  -1.883  10.704  -4.560
   88   3HD1  LEU  67          1HD1      LEU  67  -2.906   9.347  -4.157
   89   1HD2  LEU  67          2HD2      LEU  67  -3.754  11.822  -7.590
   90   2HD2  LEU  67          1HD2      LEU  67  -2.380  12.158  -6.557
   91   3HD2  LEU  67          3HD2      LEU  67  -2.342  10.772  -7.637
   92    H    LEU  68           H        LEU  68  -5.056   6.641  -6.012
   93    HA   LEU  68           HA       LEU  68  -7.083   6.097  -7.996
   94   1HB   LEU  68          2HB       LEU  68  -6.126   3.932  -6.062
   95   2HB   LEU  68          1HB       LEU  68  -6.605   3.773  -7.729
   96    HG   LEU  68           HG       LEU  68  -4.101   5.080  -6.698
   97   1HD1  LEU  68          2HD1      LEU  68  -4.059   2.592  -6.747
   98   2HD1  LEU  68          1HD1      LEU  68  -4.528   2.602  -8.435
   99   3HD1  LEU  68          3HD1      LEU  68  -2.962   3.228  -7.946
  100   1HD2  LEU  68          2HD2      LEU  68  -5.031   4.814  -9.605
  101   2HD2  LEU  68          1HD2      LEU  68  -4.890   6.325  -8.719
  102   3HD2  LEU  68          3HD2      LEU  68  -3.456   5.404  -9.103
  103    H    PHE  69           H        PHE  69  -7.117   6.116  -4.549
  104    HA   PHE  69           HA       PHE  69  -9.462   4.686  -3.972
  105   1HB   PHE  69          2HB       PHE  69  -8.160   5.800  -2.162
  106   2HB   PHE  69          1HB       PHE  69  -8.557   7.380  -2.808
  107    HD1  PHE  69           HD2      PHE  69 -10.008   4.348  -1.215
  108    HD2  PHE  69           HD1      PHE  69 -10.623   8.439  -2.238
  109    HE1  PHE  69           HE2      PHE  69 -12.037   4.397   0.176
  110    HE2  PHE  69           HE1      PHE  69 -12.654   8.481  -0.847
  111    HZ   PHE  69           HZ       PHE  69 -13.357   6.465   0.358
  112    H    ILE  70           H        ILE  70  -9.127   7.953  -5.013
  113    HA   ILE  70           HA       ILE  70 -11.857   8.696  -5.163
  114    HB   ILE  70           HB       ILE  70  -9.481   9.722  -6.664
  115   1HG1  ILE  70          2HG1      ILE  70 -10.758  10.040  -3.928
  116   2HG1  ILE  70          1HG1      ILE  70  -9.071  10.026  -4.379
  117   1HG2  ILE  70          1HG2      ILE  70 -11.620  10.345  -7.824
  118   2HG2  ILE  70          3HG2      ILE  70 -12.261  10.948  -6.305
  119   3HG2  ILE  70          2HG2      ILE  70 -10.883  11.733  -7.064
  120   1HD1  ILE  70          3HD1      ILE  70  -9.309  12.269  -5.325
  121   2HD1  ILE  70          2HD1      ILE  70 -11.017  12.257  -4.862
  122   3HD1  ILE  70          1HD1      ILE  70  -9.776  12.197  -3.616
  123    H    HIS  71           H        HIS  71  -9.733   7.561  -7.662
  124    HA   HIS  71           HA       HIS  71 -11.704   7.544  -9.774
  125   1HB   HIS  71          2HB       HIS  71  -9.167   5.872  -9.572
  126   2HB   HIS  71          1HB       HIS  71 -10.095   6.154 -11.039
  127    HD1  HIS  71           HD1      HIS  71  -7.359   7.107 -11.305
  128    HD2  HIS  71           HD2      HIS  71 -10.276   9.466  -9.504
  129    HE1  HIS  71           HE1      HIS  71  -6.651   9.492 -11.386
  130    H    PHE  72           H        PHE  72 -10.979   5.189  -7.321
  131    HA   PHE  72           HA       PHE  72 -12.438   3.082  -8.724
  132   1HB   PHE  72          2HB       PHE  72 -11.293   3.253  -5.884
  133   2HB   PHE  72          1HB       PHE  72 -11.984   1.811  -6.592
  134    HD1  PHE  72           HD1      PHE  72 -10.259   3.169  -9.324
  135    HD2  PHE  72           HD2      PHE  72  -9.474   1.361  -5.539
  136    HE1  PHE  72           HE1      PHE  72  -8.049   2.482 -10.101
  137    HE2  PHE  72           HE2      PHE  72  -7.262   0.679  -6.334
  138    HZ   PHE  72           HZ       PHE  72  -6.539   1.233  -8.611
  139    H    ARG  73           H        ARG  73 -12.819   5.449  -6.122
  140    HA   ARG  73           HA       ARG  73 -15.315   4.365  -5.364
  141   1HB   ARG  73          2HB       ARG  73 -13.813   6.046  -4.046
  142   2HB   ARG  73          1HB       ARG  73 -14.571   7.311  -5.000
  143   1HG   ARG  73          2HG       ARG  73 -16.802   6.655  -4.159
  144   2HG   ARG  73          1HG       ARG  73 -16.123   5.263  -3.336
  145   1HD   ARG  73          2HD       ARG  73 -14.696   6.911  -1.971
  146   2HD   ARG  73          1HD       ARG  73 -15.698   8.195  -2.645
  147    HE   ARG  73           HE       ARG  73 -17.604   6.519  -1.682
  148   1HH1  ARG  73          1HH2      ARG  73 -15.755   5.192   0.106
  149   2HH1  ARG  73          2HH2      ARG  73 -15.757   6.158   1.542
  150   1HH2  ARG  73          2HH1      ARG  73 -17.173   8.904  -0.138
  151   2HH2  ARG  73          1HH1      ARG  73 -16.575   8.362   1.389
  152    H    ILE  74           H        ILE  74 -14.424   7.031  -7.470
  153    HA   ILE  74           HA       ILE  74 -17.134   7.686  -8.275
  154    HB   ILE  74           HB       ILE  74 -14.415   8.314  -9.559
  155   1HG1  ILE  74          2HG1      ILE  74 -16.287   9.943  -7.771
  156   2HG1  ILE  74          1HG1      ILE  74 -14.729   9.295  -7.316
  157   1HG2  ILE  74          3HG2      ILE  74 -16.247   8.455 -11.276
  158   2HG2  ILE  74          2HG2      ILE  74 -17.151   9.524 -10.221
  159   3HG2  ILE  74          1HG2      ILE  74 -15.620  10.041 -10.914
  160   1HD1  ILE  74          2HD1      ILE  74 -13.620  10.769  -9.011
  161   2HD1  ILE  74          1HD1      ILE  74 -15.182  11.459  -9.432
  162   3HD1  ILE  74          3HD1      ILE  74 -14.530  11.685  -7.825
  163    H    GLY  75           H        GLY  75 -14.561   5.675  -9.623
  164   1HA   GLY  75          2HA       GLY  75 -15.640   5.002 -12.118
  165   2HA   GLY  75          1HA       GLY  75 -14.707   3.869 -11.132
  166    H    CYS  76           H        CYS  76 -16.236   3.483  -9.030
  167    HA   CYS  76           HA       CYS  76 -18.170   1.615  -9.873
  168   1HB   CYS  76          2HB       CYS  76 -17.697   2.959  -7.196
  169   2HB   CYS  76          1HB       CYS  76 -18.768   1.612  -7.359
  170    HG   CYS  76           HG       CYS  76 -15.710   1.480  -7.260
  171    H    ARG  77           H        ARG  77 -18.593   4.677 -10.093
  172    HA   ARG  77           HA       ARG  77 -21.390   4.919  -9.212
  173   1HB   ARG  77          2HB       ARG  77 -19.659   6.855  -9.151
  174   2HB   ARG  77          1HB       ARG  77 -19.886   6.978 -10.886
  175   1HG   ARG  77          2HG       ARG  77 -22.283   7.428 -10.611
  176   2HG   ARG  77          1HG       ARG  77 -22.195   7.103  -8.892
  177   1HD   ARG  77          2HD       ARG  77 -22.233   9.493  -9.102
  178   2HD   ARG  77          1HD       ARG  77 -20.561   9.098  -8.730
  179    HE   ARG  77           HE       ARG  77 -20.753   9.132 -11.536
  180   1HH1  ARG  77          1HH2      ARG  77 -22.484  11.347  -9.909
  181   2HH1  ARG  77          2HH2      ARG  77 -21.535  12.746 -10.274
  182   1HH2  ARG  77          2HH1      ARG  77 -18.921  10.817 -11.607
  183   2HH2  ARG  77          1HH1      ARG  77 -19.447  12.433 -11.277
  184    H    HIS  78           H        HIS  78 -19.607   4.239 -12.058
  185    HA   HIS  78           HA       HIS  78 -21.249   4.874 -14.180
  186   1HB   HIS  78          2HB       HIS  78 -20.202   3.084 -15.356
  187   2HB   HIS  78          1HB       HIS  78 -19.023   3.552 -14.158
  188    HD1  HIS  78           HD1      HIS  78 -20.646   0.592 -15.367
  189    HD2  HIS  78           HD2      HIS  78 -19.336   1.983 -11.672
  190    HE1  HIS  78           HE1      HIS  78 -20.371  -1.340 -13.822
  191    H    SER  79           H        SER  79 -21.807   2.447 -11.813
  192    HA   SER  79           HA       SER  79 -24.603   2.114 -12.683
  193   1HB   SER  79          2HB       SER  79 -22.514  -0.106 -12.490
  194   2HB   SER  79          1HB       SER  79 -24.243  -0.381 -12.543
  195    HG   SER  79           HG       SER  79 -23.561   1.422 -14.450
  196    H    ARG  80           H        ARG  80 -23.061   3.330 -10.651
  197    HA   ARG  80           HA       ARG  80 -22.688   3.561  -8.404
  198   1HB   ARG  80          2HB       ARG  80 -24.989   4.486  -9.170
  199   2HB   ARG  80          1HB       ARG  80 -25.714   3.105  -8.374
  200   1HG   ARG  80          2HG       ARG  80 -24.609   3.825  -6.213
  201   2HG   ARG  80          1HG       ARG  80 -23.919   5.195  -7.065
  202   1HD   ARG  80          2HD       ARG  80 -26.281   5.948  -7.631
  203   2HD   ARG  80          1HD       ARG  80 -26.876   4.664  -6.580
  204    HE   ARG  80           HE       ARG  80 -25.612   5.777  -4.710
  205   1HH1  ARG  80          1HH2      ARG  80 -24.268   7.626  -6.783
  206   2HH1  ARG  80          2HH2      ARG  80 -25.077   9.125  -6.461
  207   1HH2  ARG  80          2HH1      ARG  80 -27.603   7.576  -4.595
  208   2HH2  ARG  80          1HH1      ARG  80 -27.013   9.093  -5.174
  209    H    ILE  81           H        ILE  81 -21.773   1.331  -8.566
  210    HA   ILE  81           HA       ILE  81 -22.871  -0.964  -7.364
  211    HB   ILE  81           HB       ILE  81 -20.041   0.088  -7.715
  212   1HG1  ILE  81          2HG1      ILE  81 -19.791  -1.673  -9.369
  213   2HG1  ILE  81          1HG1      ILE  81 -21.345  -2.355  -8.942
  214   1HG2  ILE  81          3HG2      ILE  81 -20.648  -2.634  -6.513
  215   2HG2  ILE  81          2HG2      ILE  81 -19.072  -2.118  -7.099
  216   3HG2  ILE  81          1HG2      ILE  81 -19.798  -1.320  -5.728
  217   1HD1  ILE  81          1HD1      ILE  81 -20.938   0.405 -10.155
  218   2HD1  ILE  81          3HD1      ILE  81 -21.456  -1.054 -10.994
  219   3HD1  ILE  81          2HD1      ILE  81 -22.487  -0.358  -9.772
  220    H    GLY  82           H        GLY  82 -22.538   1.766  -5.663
  221   1HA   GLY  82          2HA       GLY  82 -23.412   1.582  -3.266
  222   2HA   GLY  82          1HA       GLY  82 -22.171   0.344  -3.079
  223    H    VAL  83           H        VAL  83 -22.638   3.604  -3.982
  224    HA   VAL  83           HA       VAL  83 -20.268   4.824  -4.235
  225    HB   VAL  83           HB       VAL  83 -22.256   6.105  -2.352
  226   1HG1  VAL  83          3HG1      VAL  83 -20.733   7.155  -4.763
  227   2HG1  VAL  83          2HG1      VAL  83 -21.807   8.115  -3.754
  228   3HG1  VAL  83          1HG1      VAL  83 -20.330   7.449  -3.078
  229   1HG2  VAL  83          1HG2      VAL  83 -22.824   5.607  -5.290
  230   2HG2  VAL  83          3HG2      VAL  83 -23.767   5.002  -3.926
  231   3HG2  VAL  83          2HG2      VAL  83 -23.716   6.712  -4.266
  232    H    THR  84           H        THR  84 -21.332   3.617  -1.214
  233    HA   THR  84           HA       THR  84 -18.760   3.647   0.005
  234    HB   THR  84           HB       THR  84 -18.899   6.083   0.203
  235    HG1  THR  84           HG1      THR  84 -18.408   5.781   2.201
  236   1HG2  THR  84          3HG2      THR  84 -21.415   6.330  -0.218
  237   2HG2  THR  84          2HG2      THR  84 -21.694   5.787   1.433
  238   3HG2  THR  84          1HG2      THR  84 -20.825   7.270   1.137
  239    H    ARG  85           H        ARG  85 -22.172   4.048   0.844
  240    HA   ARG  85           HA       ARG  85 -21.930   2.117   3.031
  241   1HB   ARG  85          2HB       ARG  85 -24.242   3.788   1.987
  242   2HB   ARG  85          1HB       ARG  85 -24.433   2.625   3.285
  243   1HG   ARG  85          2HG       ARG  85 -22.755   3.834   4.645
  244   2HG   ARG  85          1HG       ARG  85 -22.485   4.972   3.337
  245   1HD   ARG  85          2HD       ARG  85 -24.056   5.885   5.053
  246   2HD   ARG  85          1HD       ARG  85 -24.841   5.737   3.486
  247    HE   ARG  85           HE       ARG  85 -25.769   3.523   4.377
  248   1HH1  ARG  85          2HH1      ARG  85 -25.084   2.851   6.848
  249   2HH1  ARG  85          1HH1      ARG  85 -25.974   3.820   7.970
  250   1HH2  ARG  85          1HH2      ARG  85 -26.756   6.215   5.519
  251   2HH2  ARG  85          2HH2      ARG  85 -26.958   5.811   7.189
  252    H    GLN  86           HN       GLN  86 -23.488   0.338   3.192
  253    HA   GLN  86           HA       GLN  86 -23.814  -1.000   0.551
  254   1HB   GLN  86          2HB       GLN  86 -23.899  -2.158   3.383
  255   2HB   GLN  86          1HB       GLN  86 -23.964  -3.081   1.895
  256   1HG   GLN  86          2HG       GLN  86 -21.707  -2.337   1.250
  257   2HG   GLN  86          1HG       GLN  86 -21.624  -1.251   2.627
  258   1HE2  GLN  86          2HE2      GLN  86 -21.092  -5.230   3.238
  259   2HE2  GLN  86          1HE2      GLN  86 -21.708  -4.702   1.746
   
  No H/Q in entry =         259
  Start of MODEL    9
    1   1H    ALA  59          1H        ALA  59   5.707   3.551   0.656
    2   2H    ALA  59          3H        ALA  59   5.586   3.964   2.290
    3   3H    ALA  59          2H        ALA  59   5.932   2.363   1.854
    4    HA   ALA  59           HA       ALA  59   3.783   1.876   1.821
    5   1HB   ALA  59          1HB       ALA  59   3.606   3.640   3.595
    6   2HB   ALA  59          3HB       ALA  59   3.351   4.856   2.348
    7   3HB   ALA  59          2HB       ALA  59   2.161   3.597   2.603
    8    H    ILE  60           H        ILE  60   5.004   2.444  -0.687
    9    HA   ILE  60           HA       ILE  60   3.454   4.118  -2.389
   10    HB   ILE  60           HB       ILE  60   5.624   3.016  -3.052
   11   1HG1  ILE  60          2HG1      ILE  60   4.985   2.342  -5.390
   12   2HG1  ILE  60          1HG1      ILE  60   3.301   2.415  -4.932
   13   1HG2  ILE  60          2HG2      ILE  60   5.278   0.774  -2.091
   14   2HG2  ILE  60          1HG2      ILE  60   4.006   0.448  -3.270
   15   3HG2  ILE  60          3HG2      ILE  60   5.663   0.663  -3.789
   16   1HD1  ILE  60          3HD1      ILE  60   5.284   4.742  -4.791
   17   2HD1  ILE  60          2HD1      ILE  60   4.053   4.532  -6.015
   18   3HD1  ILE  60          1HD1      ILE  60   3.585   4.862  -4.362
   19    H    ILE  61           H        ILE  61   2.793   0.929  -1.167
   20    HA   ILE  61           HA       ILE  61   0.589   0.582  -2.869
   21    HB   ILE  61           HB       ILE  61   0.068  -1.213  -0.976
   22   1HG1  ILE  61          2HG1      ILE  61   1.913  -0.134   0.506
   23   2HG1  ILE  61          1HG1      ILE  61   1.676  -1.859   0.428
   24   1HG2  ILE  61          2HG2      ILE  61   2.326  -1.470  -3.000
   25   2HG2  ILE  61          1HG2      ILE  61   1.565  -2.828  -2.182
   26   3HG2  ILE  61          3HG2      ILE  61   0.628  -1.814  -3.264
   27   1HD1  ILE  61          2HD1      ILE  61   3.780  -0.430  -1.267
   28   2HD1  ILE  61          1HD1      ILE  61   4.098  -1.241   0.251
   29   3HD1  ILE  61          3HD1      ILE  61   3.510  -2.139  -1.134
   30    H    ARG  62           H        ARG  62   0.774   2.894  -0.984
   31    HA   ARG  62           HA       ARG  62  -2.037   2.930  -0.170
   32   1HB   ARG  62          2HB       ARG  62   0.283   2.789   1.668
   33   2HB   ARG  62          1HB       ARG  62  -0.482   4.350   1.873
   34   1HG   ARG  62          2HG       ARG  62  -1.989   1.698   1.965
   35   2HG   ARG  62          1HG       ARG  62  -1.380   2.514   3.391
   36   1HD   ARG  62          2HD       ARG  62  -2.814   4.430   3.026
   37   2HD   ARG  62          1HD       ARG  62  -3.269   3.877   1.420
   38    HE   ARG  62           HE       ARG  62  -3.923   2.042   3.640
   39   1HH1  ARG  62          2HH1      ARG  62  -4.952   3.208   0.762
   40   2HH1  ARG  62          1HH1      ARG  62  -6.593   3.514   1.205
   41   1HH2  ARG  62          1HH2      ARG  62  -5.954   3.000   4.624
   42   2HH2  ARG  62          2HH2      ARG  62  -7.188   3.382   3.480
   43    H    ILE  63           H        ILE  63   0.935   4.695  -0.761
   44    HA   ILE  63           HA       ILE  63  -0.247   7.199  -0.790
   45    HB   ILE  63           HB       ILE  63   2.158   5.900  -2.030
   46   1HG1  ILE  63          2HG1      ILE  63   1.370   7.275   0.518
   47   2HG1  ILE  63          1HG1      ILE  63   2.564   6.043   0.226
   48   1HG2  ILE  63          3HG2      ILE  63   1.472   8.819  -2.188
   49   2HG2  ILE  63          2HG2      ILE  63   3.030   8.079  -2.615
   50   3HG2  ILE  63          1HG2      ILE  63   1.588   7.683  -3.537
   51   1HD1  ILE  63          1HD1      ILE  63   4.109   7.728  -0.652
   52   2HD1  ILE  63          3HD1      ILE  63   2.883   8.973  -0.387
   53   3HD1  ILE  63          2HD1      ILE  63   3.563   8.113   0.985
   54    H    LEU  64           H        LEU  64   0.213   4.864  -3.444
   55    HA   LEU  64           HA       LEU  64  -0.997   6.602  -5.426
   56   1HB   LEU  64          2HB       LEU  64  -0.817   3.561  -5.547
   57   2HB   LEU  64          1HB       LEU  64  -1.015   4.648  -6.894
   58    HG   LEU  64           HG       LEU  64   1.463   4.477  -5.116
   59   1HD1  LEU  64          1HD1      LEU  64   0.967   3.607  -8.002
   60   2HD1  LEU  64          3HD1      LEU  64   2.508   3.528  -7.177
   61   3HD1  LEU  64          2HD1      LEU  64   1.178   2.535  -6.627
   62   1HD2  LEU  64          1HD2      LEU  64   0.954   6.152  -7.629
   63   2HD2  LEU  64          3HD2      LEU  64   1.111   6.796  -6.001
   64   3HD2  LEU  64          2HD2      LEU  64   2.483   6.035  -6.775
   65    H    GLN  65           H        GLN  65  -2.149   4.199  -3.295
   66    HA   GLN  65           HA       GLN  65  -4.655   3.585  -4.368
   67   1HB   GLN  65          2HB       GLN  65  -3.604   3.699  -1.514
   68   2HB   GLN  65          1HB       GLN  65  -5.178   3.073  -1.910
   69   1HG   GLN  65          2HG       GLN  65  -3.298   1.284  -1.805
   70   2HG   GLN  65          1HG       GLN  65  -4.322   1.257  -3.217
   71   1HE2  GLN  65          2HE2      GLN  65  -0.467   2.593  -3.756
   72   2HE2  GLN  65          1HE2      GLN  65  -1.223   2.909  -2.276
   73    H    GLN  66           H        GLN  66  -3.723   6.569  -2.859
   74    HA   GLN  66           HA       GLN  66  -6.383   7.335  -2.117
   75   1HB   GLN  66          2HB       GLN  66  -3.845   8.930  -2.665
   76   2HB   GLN  66          1HB       GLN  66  -5.296   9.557  -1.942
   77   1HG   GLN  66          2HG       GLN  66  -5.053   7.720  -0.134
   78   2HG   GLN  66          1HG       GLN  66  -3.439   7.438  -0.775
   79   1HE2  GLN  66          2HE2      GLN  66  -2.313  10.719   0.308
   80   2HE2  GLN  66          1HE2      GLN  66  -2.090   9.634  -0.989
   81    H    LEU  67           H        LEU  67  -4.503   7.489  -5.001
   82    HA   LEU  67           HA       LEU  67  -6.262   9.407  -6.332
   83   1HB   LEU  67          2HB       LEU  67  -4.083   7.613  -7.458
   84   2HB   LEU  67          1HB       LEU  67  -4.974   8.815  -8.363
   85    HG   LEU  67           HG       LEU  67  -4.222  10.464  -6.419
   86   1HD1  LEU  67          2HD1      LEU  67  -2.064   8.333  -6.218
   87   2HD1  LEU  67          1HD1      LEU  67  -1.982   9.932  -5.506
   88   3HD1  LEU  67          3HD1      LEU  67  -3.157   8.783  -4.928
   89   1HD2  LEU  67          2HD2      LEU  67  -2.302   9.502  -8.564
   90   2HD2  LEU  67          1HD2      LEU  67  -3.584  10.693  -8.768
   91   3HD2  LEU  67          3HD2      LEU  67  -2.220  11.049  -7.726
   92    H    LEU  68           H        LEU  68  -5.498   6.038  -6.352
   93    HA   LEU  68           HA       LEU  68  -7.465   5.225  -8.303
   94   1HB   LEU  68          2HB       LEU  68  -6.556   3.551  -5.882
   95   2HB   LEU  68          1HB       LEU  68  -7.097   2.925  -7.423
   96    HG   LEU  68           HG       LEU  68  -4.497   4.449  -6.929
   97   1HD1  LEU  68          3HD1      LEU  68  -4.467   2.113  -6.076
   98   2HD1  LEU  68          2HD1      LEU  68  -4.993   1.529  -7.641
   99   3HD1  LEU  68          1HD1      LEU  68  -3.420   2.280  -7.461
  100   1HD2  LEU  68          3HD2      LEU  68  -5.545   3.198  -9.508
  101   2HD2  LEU  68          2HD2      LEU  68  -5.384   4.922  -9.213
  102   3HD2  LEU  68          1HD2      LEU  68  -3.955   3.917  -9.297
  103    H    PHE  69           H        PHE  69  -7.475   5.719  -4.919
  104    HA   PHE  69           HA       PHE  69 -10.021   4.716  -4.234
  105   1HB   PHE  69          2HB       PHE  69  -8.469   5.623  -2.501
  106   2HB   PHE  69          1HB       PHE  69  -8.618   7.231  -3.180
  107    HD1  PHE  69           HD1      PHE  69 -10.655   4.491  -1.658
  108    HD2  PHE  69           HD2      PHE  69 -10.293   8.677  -2.393
  109    HE1  PHE  69           HE1      PHE  69 -12.600   4.921  -0.213
  110    HE2  PHE  69           HE2      PHE  69 -12.236   9.096  -0.944
  111    HZ   PHE  69           HZ       PHE  69 -13.384   7.224   0.138
  112    H    ILE  70           H        ILE  70  -9.088   7.822  -5.444
  113    HA   ILE  70           HA       ILE  70 -11.746   8.877  -5.652
  114    HB   ILE  70           HB       ILE  70  -9.153   9.724  -6.853
  115   1HG1  ILE  70          2HG1      ILE  70 -10.911  10.296  -4.398
  116   2HG1  ILE  70          1HG1      ILE  70  -9.230   9.807  -4.431
  117   1HG2  ILE  70          2HG2      ILE  70 -11.100  10.538  -8.257
  118   2HG2  ILE  70          1HG2      ILE  70 -11.846  11.182  -6.804
  119   3HG2  ILE  70          3HG2      ILE  70 -10.327  11.846  -7.394
  120   1HD1  ILE  70          1HD1      ILE  70  -8.641  11.948  -5.401
  121   2HD1  ILE  70          3HD1      ILE  70 -10.350  12.426  -5.333
  122   3HD1  ILE  70          2HD1      ILE  70  -9.477  12.098  -3.839
  123    H    HIS  71           H        HIS  71  -9.641   7.377  -7.999
  124    HA   HIS  71           HA       HIS  71 -11.495   7.765 -10.203
  125   1HB   HIS  71          2HB       HIS  71  -9.218   5.759  -9.925
  126   2HB   HIS  71          1HB       HIS  71 -10.050   6.147 -11.428
  127    HD1  HIS  71           HD1      HIS  71  -7.211   6.785 -11.571
  128    HD2  HIS  71           HD2      HIS  71  -9.923   9.456  -9.892
  129    HE1  HIS  71           HE1      HIS  71  -6.236   9.077 -11.616
  130    H    PHE  72           H        PHE  72 -11.194   5.242  -7.832
  131    HA   PHE  72           HA       PHE  72 -13.053   3.497  -9.271
  132   1HB   PHE  72          2HB       PHE  72 -10.924   3.065  -7.432
  133   2HB   PHE  72          1HB       PHE  72 -12.355   2.731  -6.491
  134    HD1  PHE  72           HD2      PHE  72 -13.915   0.923  -7.229
  135    HD2  PHE  72           HD1      PHE  72 -10.264   1.677  -9.284
  136    HE1  PHE  72           HE2      PHE  72 -14.091  -1.263  -8.341
  137    HE2  PHE  72           HE1      PHE  72 -10.434  -0.509 -10.394
  138    HZ   PHE  72           HZ       PHE  72 -12.344  -1.981  -9.925
  139    H    ARG  73           H        ARG  73 -12.803   5.616  -6.476
  140    HA   ARG  73           HA       ARG  73 -15.367   4.970  -5.472
  141   1HB   ARG  73          2HB       ARG  73 -13.749   6.207  -4.050
  142   2HB   ARG  73          1HB       ARG  73 -13.768   7.574  -5.163
  143   1HG   ARG  73          2HG       ARG  73 -16.168   7.959  -4.624
  144   2HG   ARG  73          1HG       ARG  73 -16.170   6.542  -3.587
  145   1HD   ARG  73          2HD       ARG  73 -14.526   7.590  -2.101
  146   2HD   ARG  73          1HD       ARG  73 -14.412   8.997  -3.158
  147    HE   ARG  73           HE       ARG  73 -17.004   8.192  -1.893
  148   1HH1  ARG  73          1HH2      ARG  73 -15.994  10.589  -3.751
  149   2HH1  ARG  73          2HH2      ARG  73 -16.205  11.898  -2.643
  150   1HH2  ARG  73          2HH1      ARG  73 -16.631   9.723   0.086
  151   2HH2  ARG  73          1HH1      ARG  73 -16.573  11.382  -0.379
  152    H    ILE  74           H        ILE  74 -14.190   7.498  -7.612
  153    HA   ILE  74           HA       ILE  74 -16.863   8.550  -8.088
  154    HB   ILE  74           HB       ILE  74 -14.190   8.945  -9.555
  155   1HG1  ILE  74          2HG1      ILE  74 -15.744  10.649  -7.536
  156   2HG1  ILE  74          1HG1      ILE  74 -14.240   9.815  -7.234
  157   1HG2  ILE  74          1HG2      ILE  74 -16.106   9.387 -11.112
  158   2HG2  ILE  74          3HG2      ILE  74 -16.786  10.500  -9.941
  159   3HG2  ILE  74          2HG2      ILE  74 -15.257  10.863 -10.725
  160   1HD1  ILE  74          1HD1      ILE  74 -13.105  11.269  -8.929
  161   2HD1  ILE  74          3HD1      ILE  74 -14.611  12.139  -9.183
  162   3HD1  ILE  74          2HD1      ILE  74 -13.823  12.202  -7.625
  163    H    GLY  75           H        GLY  75 -14.579   6.471  -9.857
  164   1HA   GLY  75          2HA       GLY  75 -16.090   5.998 -12.171
  165   2HA   GLY  75          1HA       GLY  75 -15.000   4.814 -11.469
  166    H    CYS  76           H        CYS  76 -16.148   3.973  -9.259
  167    HA   CYS  76           HA       CYS  76 -18.244   2.307 -10.188
  168   1HB   CYS  76          2HB       CYS  76 -17.279   2.943  -7.385
  169   2HB   CYS  76          1HB       CYS  76 -18.427   1.679  -7.706
  170    HG   CYS  76           HG       CYS  76 -16.597   0.195  -8.585
  171    H    ARG  77           H        ARG  77 -18.600   5.325  -9.598
  172    HA   ARG  77           HA       ARG  77 -21.177   5.266  -8.178
  173   1HB   ARG  77          2HB       ARG  77 -19.459   7.231  -8.142
  174   2HB   ARG  77          1HB       ARG  77 -19.998   7.609  -9.764
  175   1HG   ARG  77          2HG       ARG  77 -22.325   7.921  -8.960
  176   2HG   ARG  77          1HG       ARG  77 -21.829   7.516  -7.327
  177   1HD   ARG  77          2HD       ARG  77 -20.224   9.477  -7.388
  178   2HD   ARG  77          1HD       ARG  77 -20.867   9.899  -8.972
  179    HE   ARG  77           HE       ARG  77 -23.155   9.977  -7.715
  180   1HH1  ARG  77          1HH2      ARG  77 -21.937   9.455  -5.091
  181   2HH1  ARG  77          2HH2      ARG  77 -21.723  11.036  -4.422
  182   1HH2  ARG  77          2HH1      ARG  77 -22.071  12.560  -7.581
  183   2HH2  ARG  77          1HH1      ARG  77 -21.806  12.881  -5.904
  184    H    HIS  78           H        HIS  78 -19.976   5.082 -11.368
  185    HA   HIS  78           HA       HIS  78 -22.199   5.947 -12.884
  186   1HB   HIS  78          2HB       HIS  78 -21.136   4.856 -14.692
  187   2HB   HIS  78          1HB       HIS  78 -19.784   4.956 -13.593
  188    HD1  HIS  78           HD1      HIS  78 -21.851   2.523 -15.333
  189    HD2  HIS  78           HD2      HIS  78 -19.267   2.597 -12.085
  190    HE1  HIS  78           HE1      HIS  78 -21.206   0.173 -14.752
  191    H    SER  79           H        SER  79 -21.543   2.846 -11.404
  192    HA   SER  79           HA       SER  79 -24.128   2.147 -10.636
  193   1HB   SER  79          2HB       SER  79 -23.434   1.511 -13.480
  194   2HB   SER  79          1HB       SER  79 -24.097   0.210 -12.520
  195    HG   SER  79           HG       SER  79 -25.146   2.828 -12.856
  196    H    ARG  80           H        ARG  80 -21.855   1.993  -9.317
  197    HA   ARG  80           HA       ARG  80 -20.216   0.656  -8.315
  198   1HB   ARG  80          2HB       ARG  80 -22.496   0.358  -7.227
  199   2HB   ARG  80          1HB       ARG  80 -22.634  -1.163  -8.085
  200   1HG   ARG  80          2HG       ARG  80 -20.588  -2.015  -6.916
  201   2HG   ARG  80          1HG       ARG  80 -20.398  -0.458  -6.133
  202   1HD   ARG  80          2HD       ARG  80 -22.554  -0.748  -4.984
  203   2HD   ARG  80          1HD       ARG  80 -22.831  -2.269  -5.836
  204    HE   ARG  80           HE       ARG  80 -20.453  -2.792  -4.679
  205   1HH1  ARG  80          2HH1      ARG  80 -20.157  -1.231  -2.534
  206   2HH1  ARG  80          1HH1      ARG  80 -21.275  -1.736  -1.315
  207   1HH2  ARG  80          1HH2      ARG  80 -23.271  -3.472  -3.620
  208   2HH2  ARG  80          2HH2      ARG  80 -23.111  -3.036  -1.955
  209    H    ILE  81           H        ILE  81 -19.980   0.245 -11.034
  210    HA   ILE  81           HA       ILE  81 -19.302  -1.256 -12.722
  211    HB   ILE  81           HB       ILE  81 -17.738  -2.276 -10.346
  212   1HG1  ILE  81          2HG1      ILE  81 -17.648   0.252 -10.449
  213   2HG1  ILE  81          1HG1      ILE  81 -16.094  -0.498 -10.666
  214   1HG2  ILE  81          3HG2      ILE  81 -17.195  -2.082 -13.337
  215   2HG2  ILE  81          2HG2      ILE  81 -15.990  -2.623 -12.161
  216   3HG2  ILE  81          1HG2      ILE  81 -17.440  -3.561 -12.441
  217   1HD1  ILE  81          3HD1      ILE  81 -17.803   0.519 -12.982
  218   2HD1  ILE  81          2HD1      ILE  81 -16.432   1.360 -12.284
  219   3HD1  ILE  81          1HD1      ILE  81 -16.197  -0.163 -13.108
  220    H    GLY  82           H        GLY  82 -21.550  -1.985 -11.640
  221   1HA   GLY  82          2HA       GLY  82 -21.591  -4.920 -11.265
  222   2HA   GLY  82          1HA       GLY  82 -22.946  -3.876 -10.912
  223    H    VAL  83           H        VAL  83 -22.422  -2.595 -13.604
  224    HA   VAL  83           HA       VAL  83 -24.434  -3.768 -15.126
  225    HB   VAL  83           HB       VAL  83 -21.999  -2.188 -16.096
  226   1HG1  VAL  83          1HG1      VAL  83 -24.783  -2.444 -17.267
  227   2HG1  VAL  83          3HG1      VAL  83 -23.517  -1.376 -17.865
  228   3HG1  VAL  83          2HG1      VAL  83 -23.308  -3.117 -17.947
  229   1HG2  VAL  83          3HG2      VAL  83 -24.715  -1.195 -15.069
  230   2HG2  VAL  83          2HG2      VAL  83 -23.203  -1.011 -14.206
  231   3HG2  VAL  83          1HG2      VAL  83 -23.453  -0.172 -15.720
  232    H    THR  84           H        THR  84 -21.259  -4.907 -14.675
  233    HA   THR  84           HA       THR  84 -20.874  -6.352 -17.108
  234    HB   THR  84           HB       THR  84 -19.165  -7.553 -15.389
  235    HG1  THR  84           HG1      THR  84 -19.467  -6.817 -13.385
  236   1HG2  THR  84          3HG2      THR  84 -19.126  -4.474 -15.605
  237   2HG2  THR  84          2HG2      THR  84 -17.738  -5.502 -15.294
  238   3HG2  THR  84          1HG2      THR  84 -18.508  -5.523 -16.873
  239    H    ARG  85           H        ARG  85 -22.427  -6.998 -14.056
  240    HA   ARG  85           HA       ARG  85 -22.956  -9.804 -14.716
  241   1HB   ARG  85          2HB       ARG  85 -23.730  -7.971 -12.397
  242   2HB   ARG  85          1HB       ARG  85 -24.404  -9.580 -12.525
  243   1HG   ARG  85          2HG       ARG  85 -21.413  -8.999 -12.431
  244   2HG   ARG  85          1HG       ARG  85 -22.376  -9.474 -11.044
  245   1HD   ARG  85          2HD       ARG  85 -23.066 -11.566 -12.353
  246   2HD   ARG  85          1HD       ARG  85 -21.857 -11.130 -13.556
  247    HE   ARG  85           HE       ARG  85 -20.241 -11.150 -11.500
  248   1HH1  ARG  85          1HH2      ARG  85 -22.022 -12.203  -9.517
  249   2HH1  ARG  85          2HH2      ARG  85 -21.895 -13.919  -9.663
  250   1HH2  ARG  85          2HH1      ARG  85 -20.472 -13.704 -12.870
  251   2HH2  ARG  85          1HH1      ARG  85 -20.979 -14.803 -11.638
  252    H    GLN  86           HN       GLN  86 -23.787  -8.664 -16.740
  253    HA   GLN  86           HA       GLN  86 -26.742  -8.263 -16.529
  254   1HB   GLN  86          2HB       GLN  86 -25.497  -6.284 -17.269
  255   2HB   GLN  86          1HB       GLN  86 -24.711  -7.196 -18.548
  256   1HG   GLN  86          2HG       GLN  86 -26.985  -7.561 -19.615
  257   2HG   GLN  86          1HG       GLN  86 -27.701  -6.561 -18.359
  258   1HE2  GLN  86          2HE2      GLN  86 -25.253  -3.975 -19.983
  259   2HE2  GLN  86          1HE2      GLN  86 -24.840  -5.006 -18.691
   
  No H/Q in entry =         259
  Start of MODEL   10
    1   1H    ALA  59          1H        ALA  59   5.367   2.601   0.676
    2   2H    ALA  59          3H        ALA  59   5.239   3.035   2.302
    3   3H    ALA  59          2H        ALA  59   5.308   1.397   1.876
    4    HA   ALA  59           HA       ALA  59   3.116   1.311   1.744
    5   1HB   ALA  59          2HB       ALA  59   3.227   4.321   2.270
    6   2HB   ALA  59          1HB       ALA  59   1.793   3.327   2.437
    7   3HB   ALA  59          3HB       ALA  59   3.161   3.074   3.507
    8    H    ILE  60           H        ILE  60   4.611   1.819  -0.722
    9    HA   ILE  60           HA       ILE  60   3.362   3.638  -2.509
   10    HB   ILE  60           HB       ILE  60   4.492   0.818  -3.032
   11   1HG1  ILE  60          2HG1      ILE  60   6.451   2.014  -4.016
   12   2HG1  ILE  60          1HG1      ILE  60   5.745   3.548  -3.580
   13   1HG2  ILE  60          3HG2      ILE  60   3.784   2.950  -5.094
   14   2HG2  ILE  60          2HG2      ILE  60   4.590   1.431  -5.438
   15   3HG2  ILE  60          1HG2      ILE  60   2.936   1.429  -4.880
   16   1HD1  ILE  60          3HD1      ILE  60   6.625   1.409  -1.582
   17   2HD1  ILE  60          2HD1      ILE  60   7.519   2.852  -2.007
   18   3HD1  ILE  60          1HD1      ILE  60   5.999   3.014  -1.175
   19    H    ILE  61           H        ILE  61   2.425   0.349  -1.749
   20    HA   ILE  61           HA       ILE  61   0.113   0.537  -3.366
   21    HB   ILE  61           HB       ILE  61  -0.412  -1.586  -1.679
   22   1HG1  ILE  61          2HG1      ILE  61   1.777  -1.042  -0.418
   23   2HG1  ILE  61          1HG1      ILE  61   1.396  -2.674  -0.883
   24   1HG2  ILE  61          2HG2      ILE  61   1.379  -1.607  -4.136
   25   2HG2  ILE  61          1HG2      ILE  61   0.603  -3.024  -3.442
   26   3HG2  ILE  61          3HG2      ILE  61  -0.371  -1.727  -4.106
   27   1HD1  ILE  61          3HD1      ILE  61   3.307  -0.943  -2.556
   28   2HD1  ILE  61          2HD1      ILE  61   3.799  -2.115  -1.349
   29   3HD1  ILE  61          1HD1      ILE  61   2.929  -2.628  -2.773
   30    H    ARG  62           H        ARG  62   0.377   2.531  -1.269
   31    HA   ARG  62           HA       ARG  62  -2.391   2.478  -0.350
   32   1HB   ARG  62          2HB       ARG  62   0.062   2.272   1.409
   33   2HB   ARG  62          1HB       ARG  62  -0.993   3.593   1.878
   34   1HG   ARG  62          2HG       ARG  62  -2.891   2.040   2.114
   35   2HG   ARG  62          1HG       ARG  62  -1.923   0.710   1.508
   36   1HD   ARG  62          2HD       ARG  62  -2.107   0.697   4.010
   37   2HD   ARG  62          1HD       ARG  62  -0.436   0.842   3.480
   38    HE   ARG  62           HE       ARG  62  -1.143   3.458   3.780
   39   1HH1  ARG  62          2HH1      ARG  62  -0.102   1.048   5.754
   40   2HH1  ARG  62          1HH1      ARG  62  -0.651   1.725   7.246
   41   1HH2  ARG  62          1HH2      ARG  62  -2.537   4.205   5.633
   42   2HH2  ARG  62          2HH2      ARG  62  -2.083   3.560   7.174
   43    H    ILE  63           H        ILE  63   0.587   4.275  -0.871
   44    HA   ILE  63           HA       ILE  63  -0.690   6.786  -0.526
   45    HB   ILE  63           HB       ILE  63   1.826   5.735  -1.776
   46   1HG1  ILE  63          2HG1      ILE  63   0.843   6.740   0.885
   47   2HG1  ILE  63          1HG1      ILE  63   2.084   5.578   0.504
   48   1HG2  ILE  63          2HG2      ILE  63   0.963   8.614  -1.570
   49   2HG2  ILE  63          1HG2      ILE  63   2.573   8.031  -2.027
   50   3HG2  ILE  63          3HG2      ILE  63   1.195   7.689  -3.056
   51   1HD1  ILE  63          3HD1      ILE  63   3.629   7.387  -0.049
   52   2HD1  ILE  63          2HD1      ILE  63   2.360   8.571   0.284
   53   3HD1  ILE  63          1HD1      ILE  63   2.979   7.566   1.584
   54    H    LEU  64           H        LEU  64   0.196   4.865  -3.422
   55    HA   LEU  64           HA       LEU  64  -1.005   6.651  -5.301
   56   1HB   LEU  64          2HB       LEU  64  -0.911   3.610  -5.620
   57   2HB   LEU  64          1HB       LEU  64  -1.033   4.794  -6.889
   58    HG   LEU  64           HG       LEU  64   1.401   4.440  -5.070
   59   1HD1  LEU  64          1HD1      LEU  64   0.948   3.758  -8.013
   60   2HD1  LEU  64          3HD1      LEU  64   2.463   3.585  -7.150
   61   3HD1  LEU  64          2HD1      LEU  64   1.091   2.594  -6.706
   62   1HD2  LEU  64          3HD2      LEU  64   1.000   6.249  -7.508
   63   2HD2  LEU  64          2HD2      LEU  64   1.138   6.812  -5.849
   64   3HD2  LEU  64          1HD2      LEU  64   2.502   6.041  -6.624
   65    H    GLN  65           H        GLN  65  -2.311   4.204  -3.291
   66    HA   GLN  65           HA       GLN  65  -4.813   3.793  -4.530
   67   1HB   GLN  65          2HB       GLN  65  -3.817   3.572  -1.665
   68   2HB   GLN  65          1HB       GLN  65  -5.429   3.129  -2.126
   69   1HG   GLN  65          2HG       GLN  65  -3.672   1.173  -2.192
   70   2HG   GLN  65          1HG       GLN  65  -4.669   1.358  -3.617
   71   1HE2  GLN  65          2HE2      GLN  65  -0.734   2.584  -3.934
   72   2HE2  GLN  65          1HE2      GLN  65  -1.556   2.766  -2.465
   73    H    GLN  66           H        GLN  66  -3.667   6.570  -2.824
   74    HA   GLN  66           HA       GLN  66  -6.236   7.530  -2.014
   75   1HB   GLN  66          2HB       GLN  66  -3.549   8.841  -2.588
   76   2HB   GLN  66          1HB       GLN  66  -4.932   9.754  -2.106
   77   1HG   GLN  66          2HG       GLN  66  -5.019   8.289   0.021
   78   2HG   GLN  66          1HG       GLN  66  -3.449   7.653  -0.480
   79   1HE2  GLN  66          2HE2      GLN  66  -1.902  10.523   0.931
   80   2HE2  GLN  66          1HE2      GLN  66  -1.819   8.842   0.675
   81    H    LEU  67           H        LEU  67  -4.392   7.610  -4.928
   82    HA   LEU  67           HA       LEU  67  -6.086   9.600  -6.235
   83   1HB   LEU  67          2HB       LEU  67  -3.976   7.739  -7.391
   84   2HB   LEU  67          1HB       LEU  67  -4.840   8.960  -8.294
   85    HG   LEU  67           HG       LEU  67  -4.002  10.578  -6.335
   86   1HD1  LEU  67          3HD1      LEU  67  -1.888   8.396  -6.274
   87   2HD1  LEU  67          2HD1      LEU  67  -1.762   9.969  -5.507
   88   3HD1  LEU  67          1HD1      LEU  67  -2.938   8.818  -4.934
   89   1HD2  LEU  67          3HD2      LEU  67  -2.190   9.608  -8.574
   90   2HD2  LEU  67          2HD2      LEU  67  -3.444  10.836  -8.712
   91   3HD2  LEU  67          1HD2      LEU  67  -2.035  11.132  -7.711
   92    H    LEU  68           H        LEU  68  -5.436   6.177  -6.314
   93    HA   LEU  68           HA       LEU  68  -7.454   5.513  -8.265
   94   1HB   LEU  68          2HB       LEU  68  -6.749   3.694  -5.891
   95   2HB   LEU  68          1HB       LEU  68  -7.245   3.197  -7.489
   96    HG   LEU  68           HG       LEU  68  -4.593   4.472  -6.736
   97   1HD1  LEU  68          2HD1      LEU  68  -4.784   2.076  -6.125
   98   2HD1  LEU  68          1HD1      LEU  68  -5.249   1.673  -7.765
   99   3HD1  LEU  68          3HD1      LEU  68  -3.637   2.279  -7.423
  100   1HD2  LEU  68          3HD2      LEU  68  -5.530   3.574  -9.496
  101   2HD2  LEU  68          2HD2      LEU  68  -5.249   5.239  -9.009
  102   3HD2  LEU  68          1HD2      LEU  68  -3.911   4.119  -9.095
  103    H    PHE  69           H        PHE  69  -7.502   6.097  -4.866
  104    HA   PHE  69           HA       PHE  69 -10.121   5.161  -4.274
  105   1HB   PHE  69          2HB       PHE  69  -8.559   6.086  -2.490
  106   2HB   PHE  69          1HB       PHE  69  -8.801   7.694  -3.151
  107    HD1  PHE  69           HD1      PHE  69 -10.492   4.873  -1.438
  108    HD2  PHE  69           HD2      PHE  69 -10.842   8.929  -2.703
  109    HE1  PHE  69           HE1      PHE  69 -12.524   5.127  -0.082
  110    HE2  PHE  69           HE2      PHE  69 -12.875   9.175  -1.346
  111    HZ   PHE  69           HZ       PHE  69 -13.714   7.277  -0.036
  112    H    ILE  70           H        ILE  70  -9.006   8.139  -5.625
  113    HA   ILE  70           HA       ILE  70 -11.571   9.409  -5.820
  114    HB   ILE  70           HB       ILE  70  -8.999   9.919  -7.289
  115   1HG1  ILE  70          2HG1      ILE  70 -10.250  10.583  -4.617
  116   2HG1  ILE  70          1HG1      ILE  70  -8.585  10.371  -5.054
  117   1HG2  ILE  70          2HG2      ILE  70 -10.952  10.792  -8.577
  118   2HG2  ILE  70          1HG2      ILE  70 -11.522  11.626  -7.138
  119   3HG2  ILE  70          3HG2      ILE  70  -9.998  12.087  -7.892
  120   1HD1  ILE  70          1HD1      ILE  70  -8.584  12.614  -6.098
  121   2HD1  ILE  70          3HD1      ILE  70 -10.295  12.782  -5.679
  122   3HD1  ILE  70          2HD1      ILE  70  -9.090  12.679  -4.406
  123    H    HIS  71           H        HIS  71  -9.569   7.708  -8.085
  124    HA   HIS  71           HA       HIS  71 -11.374   7.872 -10.319
  125   1HB   HIS  71          2HB       HIS  71  -9.227   5.767  -9.754
  126   2HB   HIS  71          1HB       HIS  71  -9.951   6.090 -11.325
  127    HD1  HIS  71           HD1      HIS  71  -6.924   6.542 -10.966
  128    HD2  HIS  71           HD2      HIS  71  -9.809   9.498 -10.438
  129    HE1  HIS  71           HE1      HIS  71  -5.869   8.771 -11.254
  130    H    PHE  72           H        PHE  72 -11.304   5.623  -7.635
  131    HA   PHE  72           HA       PHE  72 -13.220   3.857  -8.973
  132   1HB   PHE  72          2HB       PHE  72 -11.717   3.770  -6.321
  133   2HB   PHE  72          1HB       PHE  72 -13.053   2.685  -6.627
  134    HD1  PHE  72           HD2      PHE  72 -10.165   3.872  -8.776
  135    HD2  PHE  72           HD1      PHE  72 -12.240   0.544  -7.110
  136    HE1  PHE  72           HE2      PHE  72  -8.658   2.347  -9.952
  137    HE2  PHE  72           HE1      PHE  72 -10.720  -0.979  -8.295
  138    HZ   PHE  72           HZ       PHE  72  -8.931  -0.083  -9.716
  139    H    ARG  73           H        ARG  73 -12.966   6.223  -6.357
  140    HA   ARG  73           HA       ARG  73 -15.562   5.780  -5.398
  141   1HB   ARG  73          2HB       ARG  73 -13.991   7.215  -4.095
  142   2HB   ARG  73          1HB       ARG  73 -13.951   8.396  -5.397
  143   1HG   ARG  73          2HG       ARG  73 -16.362   8.895  -5.055
  144   2HG   ARG  73          1HG       ARG  73 -16.478   7.625  -3.853
  145   1HD   ARG  73          2HD       ARG  73 -15.023   8.869  -2.330
  146   2HD   ARG  73          1HD       ARG  73 -14.680  10.071  -3.569
  147    HE   ARG  73           HE       ARG  73 -16.666  11.131  -2.922
  148   1HH1  ARG  73          1HH2      ARG  73 -18.696   9.514  -3.918
  149   2HH1  ARG  73          2HH2      ARG  73 -19.500   8.844  -2.539
  150   1HH2  ARG  73          2HH1      ARG  73 -16.764   9.518  -0.432
  151   2HH2  ARG  73          1HH1      ARG  73 -18.346   8.821  -0.494
  152    H    ILE  74           H        ILE  74 -14.294   7.926  -7.825
  153    HA   ILE  74           HA       ILE  74 -16.910   8.970  -8.579
  154    HB   ILE  74           HB       ILE  74 -14.143   9.167  -9.877
  155   1HG1  ILE  74          2HG1      ILE  74 -15.740  11.058  -8.078
  156   2HG1  ILE  74          1HG1      ILE  74 -14.281  10.204  -7.640
  157   1HG2  ILE  74          1HG2      ILE  74 -15.972   9.541 -11.552
  158   2HG2  ILE  74          3HG2      ILE  74 -16.673  10.760 -10.502
  159   3HG2  ILE  74          2HG2      ILE  74 -15.103  11.021 -11.240
  160   1HD1  ILE  74          1HD1      ILE  74 -13.000  11.467  -9.358
  161   2HD1  ILE  74          3HD1      ILE  74 -14.450  12.370  -9.776
  162   3HD1  ILE  74          2HD1      ILE  74 -13.750  12.534  -8.182
  163    H    GLY  75           H        GLY  75 -14.582   6.647  -9.879
  164   1HA   GLY  75          2HA       GLY  75 -16.013   6.005 -12.255
  165   2HA   GLY  75          1HA       GLY  75 -14.845   4.955 -11.469
  166    H    CYS  76           H        CYS  76 -15.863   4.009  -9.309
  167    HA   CYS  76           HA       CYS  76 -17.848   2.199 -10.090
  168   1HB   CYS  76          2HB       CYS  76 -17.193   3.082  -7.254
  169   2HB   CYS  76          1HB       CYS  76 -17.970   1.586  -7.680
  170    HG   CYS  76           HG       CYS  76 -15.792   0.530  -8.168
  171    H    ARG  77           H        ARG  77 -18.432   5.198  -9.582
  172    HA   ARG  77           HA       ARG  77 -21.021   5.104  -8.245
  173   1HB   ARG  77          2HB       ARG  77 -19.249   7.089  -8.553
  174   2HB   ARG  77          1HB       ARG  77 -20.015   7.330 -10.101
  175   1HG   ARG  77          2HG       ARG  77 -21.513   7.445  -7.465
  176   2HG   ARG  77          1HG       ARG  77 -20.783   8.839  -8.224
  177   1HD   ARG  77          2HD       ARG  77 -22.245   8.359 -10.276
  178   2HD   ARG  77          1HD       ARG  77 -23.097   7.181  -9.272
  179    HE   ARG  77           HE       ARG  77 -22.795  10.024  -8.414
  180   1HH1  ARG  77          2HH1      ARG  77 -24.167   7.417  -7.232
  181   2HH1  ARG  77          1HH1      ARG  77 -25.827   7.906  -7.306
  182   1HH2  ARG  77          1HH2      ARG  77 -25.061  10.659  -9.365
  183   2HH2  ARG  77          2HH2      ARG  77 -26.342   9.826  -8.562
  184    H    HIS  78           H        HIS  78 -19.793   4.737 -11.412
  185    HA   HIS  78           HA       HIS  78 -22.043   5.186 -13.031
  186   1HB   HIS  78          2HB       HIS  78 -20.861   3.961 -14.687
  187   2HB   HIS  78          1HB       HIS  78 -19.562   4.442 -13.623
  188    HD1  HIS  78           HD1      HIS  78 -21.535   1.459 -14.610
  189    HD2  HIS  78           HD2      HIS  78 -18.389   2.453 -12.094
  190    HE1  HIS  78           HE1      HIS  78 -20.455  -0.644 -13.778
  191    H    SER  79           H        SER  79 -21.249   2.424 -11.093
  192    HA   SER  79           HA       SER  79 -23.853   1.524 -10.512
  193   1HB   SER  79          2HB       SER  79 -24.122   1.052 -12.997
  194   2HB   SER  79          1HB       SER  79 -22.709  -0.005 -12.929
  195    HG   SER  79           HG       SER  79 -23.794  -1.275 -11.437
  196    H    ARG  80           H        ARG  80 -21.557   1.706  -9.102
  197    HA   ARG  80           HA       ARG  80 -19.957   0.642  -7.809
  198   1HB   ARG  80          2HB       ARG  80 -22.253   0.114  -6.841
  199   2HB   ARG  80          1HB       ARG  80 -22.155  -1.444  -7.630
  200   1HG   ARG  80          2HG       ARG  80 -19.936  -1.832  -6.273
  201   2HG   ARG  80          1HG       ARG  80 -20.288  -0.325  -5.469
  202   1HD   ARG  80          2HD       ARG  80 -22.108  -2.761  -5.466
  203   2HD   ARG  80          1HD       ARG  80 -21.040  -2.277  -4.151
  204    HE   ARG  80           HE       ARG  80 -22.744  -0.086  -4.888
  205   1HH1  ARG  80          2HH1      ARG  80 -22.241  -0.595  -2.111
  206   2HH1  ARG  80          1HH1      ARG  80 -23.687  -1.337  -1.527
  207   1HH2  ARG  80          1HH2      ARG  80 -24.769  -2.159  -4.774
  208   2HH2  ARG  80          2HH2      ARG  80 -25.184  -2.256  -3.099
  209    H    ILE  81           H        ILE  81 -19.664  -0.013 -10.606
  210    HA   ILE  81           HA       ILE  81 -18.519  -1.529 -11.992
  211    HB   ILE  81           HB       ILE  81 -17.384  -2.091  -9.230
  212   1HG1  ILE  81          2HG1      ILE  81 -17.190   0.246 -10.076
  213   2HG1  ILE  81          1HG1      ILE  81 -15.653  -0.512  -9.793
  214   1HG2  ILE  81          2HG2      ILE  81 -16.298  -2.963 -11.885
  215   2HG2  ILE  81          1HG2      ILE  81 -15.391  -2.970 -10.364
  216   3HG2  ILE  81          3HG2      ILE  81 -16.813  -3.970 -10.538
  217   1HD1  ILE  81          1HD1      ILE  81 -16.928  -0.201 -12.561
  218   2HD1  ILE  81          3HD1      ILE  81 -15.616   0.760 -11.915
  219   3HD1  ILE  81          2HD1      ILE  81 -15.379  -0.945 -12.230
  220    H    GLY  82           H        GLY  82 -20.857  -2.483 -10.223
  221   1HA   GLY  82          2HA       GLY  82 -21.009  -5.180  -9.730
  222   2HA   GLY  82          1HA       GLY  82 -22.385  -4.303 -10.369
  223    H    VAL  83           H        VAL  83 -21.199  -3.727 -12.837
  224    HA   VAL  83           HA       VAL  83 -22.033  -5.856 -14.445
  225    HB   VAL  83           HB       VAL  83 -19.887  -3.769 -15.116
  226   1HG1  VAL  83          2HG1      VAL  83 -20.200  -5.517 -16.825
  227   2HG1  VAL  83          1HG1      VAL  83 -21.926  -5.181 -16.860
  228   3HG1  VAL  83          3HG1      VAL  83 -20.781  -3.957 -17.399
  229   1HG2  VAL  83          2HG2      VAL  83 -22.942  -3.514 -15.271
  230   2HG2  VAL  83          1HG2      VAL  83 -21.931  -2.635 -14.145
  231   3HG2  VAL  83          3HG2      VAL  83 -21.805  -2.322 -15.860
  232    H    THR  84           H        THR  84 -19.007  -5.223 -12.993
  233    HA   THR  84           HA       THR  84 -18.051  -7.963 -13.535
  234    HB   THR  84           HB       THR  84 -15.787  -7.107 -14.193
  235    HG1  THR  84           HG1      THR  84 -16.472  -4.982 -13.110
  236   1HG2  THR  84          2HG2      THR  84 -17.521  -7.414 -16.106
  237   2HG2  THR  84          1HG2      THR  84 -17.952  -5.725 -15.899
  238   3HG2  THR  84          3HG2      THR  84 -16.344  -6.153 -16.444
  239    H    ARG  85           H        ARG  85 -18.505  -8.178 -11.250
  240    HA   ARG  85           HA       ARG  85 -17.214  -6.418  -9.334
  241   1HB   ARG  85          2HB       ARG  85 -18.767  -9.006  -9.159
  242   2HB   ARG  85          1HB       ARG  85 -17.757  -8.612  -7.787
  243   1HG   ARG  85          2HG       ARG  85 -19.908  -6.800  -8.936
  244   2HG   ARG  85          1HG       ARG  85 -20.060  -7.763  -7.479
  245   1HD   ARG  85          2HD       ARG  85 -17.924  -6.481  -6.629
  246   2HD   ARG  85          1HD       ARG  85 -18.238  -5.357  -7.944
  247    HE   ARG  85           HE       ARG  85 -20.112  -4.544  -6.805
  248   1HH1  ARG  85          2HH1      ARG  85 -21.646  -6.839  -6.093
  249   2HH1  ARG  85          1HH1      ARG  85 -21.402  -7.063  -4.397
  250   1HH2  ARG  85          1HH2      ARG  85 -18.530  -5.045  -4.375
  251   2HH2  ARG  85          2HH2      ARG  85 -19.580  -5.992  -3.379
  252    H    GLN  86           HN       GLN  86 -15.186  -6.383 -10.172
  253    HA   GLN  86           HA       GLN  86 -12.915  -6.887 -10.288
  254   1HB   GLN  86          2HB       GLN  86 -13.408  -7.140  -7.742
  255   2HB   GLN  86          1HB       GLN  86 -13.556  -8.863  -8.014
  256   1HG   GLN  86          2HG       GLN  86 -11.223  -8.944  -8.909
  257   2HG   GLN  86          1HG       GLN  86 -11.051  -7.218  -8.632
  258   1HE2  GLN  86          2HE2      GLN  86 -11.110  -7.736  -5.010
  259   2HE2  GLN  86          1HE2      GLN  86 -11.871  -6.707  -6.134
   
  No H/Q in entry =         259
  Start of MODEL   11
    1   1H    ALA  59          2H        ALA  59   5.220   2.310   0.482
    2   2H    ALA  59          1H        ALA  59   5.135   2.524   2.155
    3   3H    ALA  59          3H        ALA  59   5.230   0.959   1.514
    4    HA   ALA  59           HA       ALA  59   3.042   0.821   1.451
    5   1HB   ALA  59          1HB       ALA  59   3.130   2.356   3.416
    6   2HB   ALA  59          3HB       ALA  59   3.072   3.747   2.343
    7   3HB   ALA  59          2HB       ALA  59   1.695   2.664   2.458
    8    H    ILE  60           H        ILE  60   4.478   1.762  -0.937
    9    HA   ILE  60           HA       ILE  60   3.188   3.696  -2.510
   10    HB   ILE  60           HB       ILE  60   5.192   2.470  -3.177
   11   1HG1  ILE  60          2HG1      ILE  60   3.434   1.711  -5.454
   12   2HG1  ILE  60          1HG1      ILE  60   3.109   3.320  -4.845
   13   1HG2  ILE  60          3HG2      ILE  60   4.582   0.178  -2.403
   14   2HG2  ILE  60          2HG2      ILE  60   3.370   0.074  -3.673
   15   3HG2  ILE  60          1HG2      ILE  60   5.066   0.168  -4.082
   16   1HD1  ILE  60          1HD1      ILE  60   5.860   2.291  -5.615
   17   2HD1  ILE  60          3HD1      ILE  60   4.857   3.375  -6.573
   18   3HD1  ILE  60          2HD1      ILE  60   5.484   3.907  -5.025
   19    H    ILE  61           H        ILE  61   2.152   0.385  -2.016
   20    HA   ILE  61           HA       ILE  61  -0.016   0.648  -3.734
   21    HB   ILE  61           HB       ILE  61  -0.719  -1.511  -2.387
   22   1HG1  ILE  61          2HG1      ILE  61   0.946  -2.580  -1.140
   23   2HG1  ILE  61          1HG1      ILE  61   2.162  -1.362  -1.399
   24   1HG2  ILE  61          3HG2      ILE  61   1.886  -1.365  -3.960
   25   2HG2  ILE  61          2HG2      ILE  61   0.988  -2.839  -3.650
   26   3HG2  ILE  61          1HG2      ILE  61   0.282  -1.571  -4.633
   27   1HD1  ILE  61          2HD1      ILE  61  -0.460  -1.067   0.131
   28   2HD1  ILE  61          1HD1      ILE  61   1.146  -1.108   0.846
   29   3HD1  ILE  61          3HD1      ILE  61   0.656   0.271  -0.116
   30    H    ARG  62           H        ARG  62   0.199   2.345  -1.160
   31    HA   ARG  62           HA       ARG  62  -2.714   2.451  -0.723
   32   1HB   ARG  62          2HB       ARG  62  -0.471   2.583   1.386
   33   2HB   ARG  62          1HB       ARG  62  -2.036   3.299   1.713
   34   1HG   ARG  62          2HG       ARG  62  -3.081   1.003   1.313
   35   2HG   ARG  62          1HG       ARG  62  -1.455   0.349   1.238
   36   1HD   ARG  62          2HD       ARG  62  -0.969   1.179   3.522
   37   2HD   ARG  62          1HD       ARG  62  -2.559   1.913   3.627
   38    HE   ARG  62           HE       ARG  62  -1.974  -0.755   4.306
   39   1HH1  ARG  62          1HH2      ARG  62  -4.526   1.235   3.562
   40   2HH1  ARG  62          2HH2      ARG  62  -5.674  -0.021   3.235
   41   1HH2  ARG  62          2HH1      ARG  62  -3.218  -2.524   3.324
   42   2HH2  ARG  62          1HH1      ARG  62  -4.900  -2.210   3.094
   43    H    ILE  63           H        ILE  63   0.371   4.082  -0.640
   44    HA   ILE  63           HA       ILE  63  -0.649   6.618  -0.279
   45    HB   ILE  63           HB       ILE  63   1.782   5.435  -1.536
   46   1HG1  ILE  63          2HG1      ILE  63   0.827   6.546   1.142
   47   2HG1  ILE  63          1HG1      ILE  63   1.675   5.059   0.803
   48   1HG2  ILE  63          3HG2      ILE  63   1.202   8.357  -1.069
   49   2HG2  ILE  63          2HG2      ILE  63   2.753   7.659  -1.560
   50   3HG2  ILE  63          1HG2      ILE  63   1.379   7.576  -2.645
   51   1HD1  ILE  63          2HD1      ILE  63   3.685   6.332   0.305
   52   2HD1  ILE  63          1HD1      ILE  63   2.799   7.829   0.653
   53   3HD1  ILE  63          3HD1      ILE  63   3.061   6.653   1.934
   54    H    LEU  64           H        LEU  64   0.173   4.968  -3.356
   55    HA   LEU  64           HA       LEU  64  -0.845   7.127  -4.988
   56   1HB   LEU  64          2HB       LEU  64  -0.739   4.176  -5.808
   57   2HB   LEU  64          1HB       LEU  64  -0.723   5.561  -6.865
   58    HG   LEU  64           HG       LEU  64   1.506   4.852  -4.901
   59   1HD1  LEU  64          1HD1      LEU  64   1.371   4.672  -7.943
   60   2HD1  LEU  64          3HD1      LEU  64   2.789   4.347  -6.979
   61   3HD1  LEU  64          2HD1      LEU  64   1.383   3.307  -6.844
   62   1HD2  LEU  64          1HD2      LEU  64   1.396   7.054  -7.017
   63   2HD2  LEU  64          3HD2      LEU  64   1.355   7.321  -5.278
   64   3HD2  LEU  64          2HD2      LEU  64   2.788   6.655  -6.029
   65    H    GLN  65           H        GLN  65  -2.216   4.407  -3.451
   66    HA   GLN  65           HA       GLN  65  -4.704   4.331  -4.838
   67   1HB   GLN  65          2HB       GLN  65  -3.745   3.350  -2.149
   68   2HB   GLN  65          1HB       GLN  65  -5.391   3.163  -2.649
   69   1HG   GLN  65          2HG       GLN  65  -3.915   1.139  -3.293
   70   2HG   GLN  65          1HG       GLN  65  -4.701   1.873  -4.665
   71   1HE2  GLN  65          2HE2      GLN  65  -0.713   2.794  -4.344
   72   2HE2  GLN  65          1HE2      GLN  65  -1.656   2.819  -2.937
   73    H    GLN  66           H        GLN  66  -3.525   6.633  -2.516
   74    HA   GLN  66           HA       GLN  66  -6.194   7.277  -1.626
   75   1HB   GLN  66          2HB       GLN  66  -3.431   8.664  -1.617
   76   2HB   GLN  66          1HB       GLN  66  -4.813   9.619  -1.241
   77   1HG   GLN  66          2HG       GLN  66  -5.302   7.989   0.701
   78   2HG   GLN  66          1HG       GLN  66  -3.776   7.204   0.325
   79   1HE2  GLN  66          2HE2      GLN  66  -1.871  10.104   1.507
   80   2HE2  GLN  66          1HE2      GLN  66  -1.827   8.958   0.246
   81    H    LEU  67           H        LEU  67  -4.284   7.886  -4.364
   82    HA   LEU  67           HA       LEU  67  -6.058   9.992  -5.363
   83   1HB   LEU  67          2HB       LEU  67  -3.690   8.585  -6.662
   84   2HB   LEU  67          1HB       LEU  67  -4.608   9.891  -7.379
   85    HG   LEU  67           HG       LEU  67  -4.089  11.118  -5.061
   86   1HD1  LEU  67          2HD1      LEU  67  -1.784   9.147  -5.231
   87   2HD1  LEU  67          1HD1      LEU  67  -1.853  10.545  -4.172
   88   3HD1  LEU  67          3HD1      LEU  67  -2.964   9.221  -3.941
   89   1HD2  LEU  67          1HD2      LEU  67  -2.013  10.816  -7.261
   90   2HD2  LEU  67          3HD2      LEU  67  -3.373  11.927  -7.263
   91   3HD2  LEU  67          2HD2      LEU  67  -2.092  12.126  -6.092
   92    H    LEU  68           H        LEU  68  -5.078   6.663  -6.127
   93    HA   LEU  68           HA       LEU  68  -7.005   6.350  -8.268
   94   1HB   LEU  68          2HB       LEU  68  -6.285   4.027  -6.405
   95   2HB   LEU  68          1HB       LEU  68  -6.690   3.960  -8.100
   96    HG   LEU  68           HG       LEU  68  -4.177   5.067  -6.875
   97   1HD1  LEU  68          1HD1      LEU  68  -4.284   2.595  -7.024
   98   2HD1  LEU  68          3HD1      LEU  68  -4.670   2.690  -8.729
   99   3HD1  LEU  68          2HD1      LEU  68  -3.090   3.193  -8.145
  100   1HD2  LEU  68          1HD2      LEU  68  -4.944   4.986  -9.836
  101   2HD2  LEU  68          3HD2      LEU  68  -4.751   6.444  -8.873
  102   3HD2  LEU  68          2HD2      LEU  68  -3.363   5.440  -9.227
  103    H    PHE  69           H        PHE  69  -7.231   6.219  -4.821
  104    HA   PHE  69           HA       PHE  69  -9.687   4.902  -4.481
  105   1HB   PHE  69          2HB       PHE  69  -8.403   5.769  -2.527
  106   2HB   PHE  69          1HB       PHE  69  -8.663   7.424  -3.045
  107    HD1  PHE  69           HD2      PHE  69 -10.406   4.343  -1.870
  108    HD2  PHE  69           HD1      PHE  69 -10.668   8.566  -2.387
  109    HE1  PHE  69           HE2      PHE  69 -12.488   4.376  -0.563
  110    HE2  PHE  69           HE1      PHE  69 -12.752   8.595  -1.076
  111    HZ   PHE  69           HZ       PHE  69 -13.658   6.502  -0.166
  112    H    ILE  70           H        ILE  70  -9.045   8.176  -5.396
  113    HA   ILE  70           HA       ILE  70 -11.742   9.071  -5.574
  114    HB   ILE  70           HB       ILE  70  -9.271  10.111  -6.880
  115   1HG1  ILE  70          2HG1      ILE  70 -10.674  10.260  -4.177
  116   2HG1  ILE  70          1HG1      ILE  70  -8.968  10.190  -4.540
  117   1HG2  ILE  70          3HG2      ILE  70 -11.353  10.909  -8.050
  118   2HG2  ILE  70          2HG2      ILE  70 -12.022  11.402  -6.500
  119   3HG2  ILE  70          1HG2      ILE  70 -10.596  12.198  -7.152
  120   1HD1  ILE  70          2HD1      ILE  70  -9.028  12.508  -5.305
  121   2HD1  ILE  70          1HD1      ILE  70 -10.761  12.567  -4.950
  122   3HD1  ILE  70          3HD1      ILE  70  -9.611  12.338  -3.641
  123    H    HIS  71           H        HIS  71  -9.597   7.935  -8.067
  124    HA   HIS  71           HA       HIS  71 -11.547   8.223 -10.206
  125   1HB   HIS  71          2HB       HIS  71  -9.057   6.453 -10.192
  126   2HB   HIS  71          1HB       HIS  71  -9.930   7.009 -11.615
  127    HD1  HIS  71           HD1      HIS  71  -6.987   7.823 -11.292
  128    HD2  HIS  71           HD2      HIS  71 -10.191  10.106  -9.939
  129    HE1  HIS  71           HE1      HIS  71  -6.265  10.194 -11.063
  130    H    PHE  72           H        PHE  72 -10.813   5.654  -8.009
  131    HA   PHE  72           HA       PHE  72 -12.345   3.654  -9.481
  132   1HB   PHE  72          2HB       PHE  72 -10.275   3.111  -8.080
  133   2HB   PHE  72          1HB       PHE  72 -11.159   3.616  -6.650
  134    HD1  PHE  72           HD1      PHE  72 -11.121   1.110  -9.414
  135    HD2  PHE  72           HD2      PHE  72 -12.732   2.142  -5.599
  136    HE1  PHE  72           HE1      PHE  72 -12.081  -1.140  -9.207
  137    HE2  PHE  72           HE2      PHE  72 -13.688  -0.111  -5.398
  138    HZ   PHE  72           HZ       PHE  72 -13.365  -1.755  -7.197
  139    H    ARG  73           H        ARG  73 -12.585   5.877  -6.773
  140    HA   ARG  73           HA       ARG  73 -15.057   4.854  -5.873
  141   1HB   ARG  73          2HB       ARG  73 -13.635   6.438  -4.514
  142   2HB   ARG  73          1HB       ARG  73 -14.008   7.740  -5.622
  143   1HG   ARG  73          2HG       ARG  73 -16.002   6.255  -3.843
  144   2HG   ARG  73          1HG       ARG  73 -15.284   7.796  -3.458
  145   1HD   ARG  73          2HD       ARG  73 -17.207   8.646  -4.352
  146   2HD   ARG  73          1HD       ARG  73 -16.419   8.403  -5.897
  147    HE   ARG  73           HE       ARG  73 -17.656   6.230  -6.078
  148   1HH1  ARG  73          2HH1      ARG  73 -18.259   6.706  -3.007
  149   2HH1  ARG  73          1HH1      ARG  73 -19.982   6.856  -3.083
  150   1HH2  ARG  73          1HH2      ARG  73 -19.920   7.239  -6.580
  151   2HH2  ARG  73          2HH2      ARG  73 -20.973   7.175  -5.217
  152    H    ILE  74           H        ILE  74 -14.323   7.780  -7.741
  153    HA   ILE  74           HA       ILE  74 -16.970   8.351  -8.577
  154    HB   ILE  74           HB       ILE  74 -14.303   8.834 -10.035
  155   1HG1  ILE  74          2HG1      ILE  74 -15.976  10.655  -8.222
  156   2HG1  ILE  74          1HG1      ILE  74 -14.501   9.858  -7.736
  157   1HG2  ILE  74          2HG2      ILE  74 -16.277   9.043 -11.598
  158   2HG2  ILE  74          1HG2      ILE  74 -17.023  10.176 -10.488
  159   3HG2  ILE  74          3HG2      ILE  74 -15.534  10.593 -11.313
  160   1HD1  ILE  74          2HD1      ILE  74 -13.247  11.127  -9.490
  161   2HD1  ILE  74          1HD1      ILE  74 -14.731  11.965  -9.934
  162   3HD1  ILE  74          3HD1      ILE  74 -14.043  12.186  -8.341
  163    H    GLY  75           H        GLY  75 -14.459   6.421 -10.167
  164   1HA   GLY  75          2HA       GLY  75 -15.873   5.615 -12.449
  165   2HA   GLY  75          1HA       GLY  75 -14.665   4.611 -11.641
  166    H    CYS  76           H        CYS  76 -15.735   3.881  -9.368
  167    HA   CYS  76           HA       CYS  76 -17.645   1.934 -10.094
  168   1HB   CYS  76          2HB       CYS  76 -16.684   2.910  -7.404
  169   2HB   CYS  76          1HB       CYS  76 -17.740   1.539  -7.540
  170    HG   CYS  76           HG       CYS  76 -15.844   0.117  -8.376
  171    H    ARG  77           H        ARG  77 -18.326   4.952  -9.705
  172    HA   ARG  77           HA       ARG  77 -20.909   4.663  -8.284
  173   1HB   ARG  77          2HB       ARG  77 -19.441   6.833  -8.280
  174   2HB   ARG  77          1HB       ARG  77 -20.057   7.109  -9.895
  175   1HG   ARG  77          2HG       ARG  77 -22.392   7.111  -9.095
  176   2HG   ARG  77          1HG       ARG  77 -21.882   6.670  -7.478
  177   1HD   ARG  77          2HD       ARG  77 -20.644   8.880  -7.330
  178   2HD   ARG  77          1HD       ARG  77 -21.243   9.277  -8.932
  179    HE   ARG  77           HE       ARG  77 -23.247   9.906  -7.925
  180   1HH1  ARG  77          2HH1      ARG  77 -21.403   9.182  -5.385
  181   2HH1  ARG  77          1HH1      ARG  77 -22.627   8.535  -4.349
  182   1HH2  ARG  77          1HH2      ARG  77 -24.970   8.359  -6.973
  183   2HH2  ARG  77          2HH2      ARG  77 -24.733   8.050  -5.290
  184    H    HIS  78           H        HIS  78 -19.621   4.536 -11.443
  185    HA   HIS  78           HA       HIS  78 -21.668   5.190 -13.171
  186   1HB   HIS  78          2HB       HIS  78 -20.636   3.724 -14.734
  187   2HB   HIS  78          1HB       HIS  78 -19.320   4.123 -13.659
  188    HD1  HIS  78           HD1      HIS  78 -21.074   1.258 -14.970
  189    HD2  HIS  78           HD2      HIS  78 -18.905   2.159 -11.572
  190    HE1  HIS  78           HE1      HIS  78 -20.379  -0.873 -13.874
  191    H    SER  79           H        SER  79 -21.446   2.411 -11.138
  192    HA   SER  79           HA       SER  79 -24.336   1.978 -11.236
  193   1HB   SER  79          2HB       SER  79 -23.712   0.943 -13.436
  194   2HB   SER  79          1HB       SER  79 -22.542  -0.102 -12.640
  195    HG   SER  79           HG       SER  79 -24.538  -0.745 -11.326
  196    H    ARG  80           H        ARG  80 -22.161   2.257  -9.312
  197    HA   ARG  80           HA       ARG  80 -21.253   1.255  -7.367
  198   1HB   ARG  80          2HB       ARG  80 -23.469   2.284  -6.855
  199   2HB   ARG  80          1HB       ARG  80 -24.254   0.739  -7.108
  200   1HG   ARG  80          2HG       ARG  80 -23.459  -0.158  -5.110
  201   2HG   ARG  80          1HG       ARG  80 -21.968   0.762  -5.153
  202   1HD   ARG  80          2HD       ARG  80 -23.435   1.536  -3.308
  203   2HD   ARG  80          1HD       ARG  80 -23.201   2.815  -4.494
  204    HE   ARG  80           HE       ARG  80 -25.653   1.113  -4.613
  205   1HH1  ARG  80          1HH2      ARG  80 -25.343   3.339  -6.458
  206   2HH1  ARG  80          2HH2      ARG  80 -26.179   4.651  -5.691
  207   1HH2  ARG  80          2HH1      ARG  80 -26.123   3.032  -2.561
  208   2HH2  ARG  80          1HH1      ARG  80 -26.621   4.473  -3.378
  209    H    ILE  81           H        ILE  81 -20.912  -0.432  -9.418
  210    HA   ILE  81           HA       ILE  81 -20.534  -2.630 -10.092
  211    HB   ILE  81           HB       ILE  81 -19.827  -2.300  -7.188
  212   1HG1  ILE  81          2HG1      ILE  81 -17.520  -2.275  -8.021
  213   2HG1  ILE  81          1HG1      ILE  81 -18.018  -2.808  -9.614
  214   1HG2  ILE  81          2HG2      ILE  81 -19.314  -4.822  -8.739
  215   2HG2  ILE  81          1HG2      ILE  81 -18.529  -4.385  -7.216
  216   3HG2  ILE  81          3HG2      ILE  81 -20.261  -4.636  -7.267
  217   1HD1  ILE  81          3HD1      ILE  81 -18.755  -0.127  -8.385
  218   2HD1  ILE  81          2HD1      ILE  81 -17.470  -0.399  -9.551
  219   3HD1  ILE  81          1HD1      ILE  81 -19.133  -0.650 -10.021
  220    H    GLY  82           H        GLY  82 -23.235  -2.068  -9.013
  221   1HA   GLY  82          2HA       GLY  82 -24.417  -4.376  -7.838
  222   2HA   GLY  82          1HA       GLY  82 -25.293  -3.106  -8.645
  223    H    VAL  83           H        VAL  83 -22.920  -5.040 -10.251
  224    HA   VAL  83           HA       VAL  83 -24.729  -5.786 -12.354
  225    HB   VAL  83           HB       VAL  83 -21.930  -6.836 -11.649
  226   1HG1  VAL  83          1HG1      VAL  83 -23.418  -6.784 -14.288
  227   2HG1  VAL  83          3HG1      VAL  83 -21.766  -7.353 -14.054
  228   3HG1  VAL  83          2HG1      VAL  83 -23.107  -8.217 -13.316
  229   1HG2  VAL  83          1HG2      VAL  83 -22.733  -4.508 -13.469
  230   2HG2  VAL  83          3HG2      VAL  83 -21.928  -4.329 -11.921
  231   3HG2  VAL  83          2HG2      VAL  83 -21.096  -5.102 -13.251
  232    H    THR  84           H        THR  84 -23.758  -7.140  -9.376
  233    HA   THR  84           HA       THR  84 -25.582  -9.451  -9.766
  234    HB   THR  84           HB       THR  84 -23.792 -10.893  -8.527
  235    HG1  THR  84           HG1      THR  84 -21.789  -9.204  -9.252
  236   1HG2  THR  84          3HG2      THR  84 -22.770  -9.588 -11.137
  237   2HG2  THR  84          2HG2      THR  84 -22.281 -11.158 -10.503
  238   3HG2  THR  84          1HG2      THR  84 -23.912 -10.912 -11.094
  239    H    ARG  85           H        ARG  85 -23.359  -8.212  -7.377
  240    HA   ARG  85           HA       ARG  85 -25.114  -8.680  -5.131
  241   1HB   ARG  85          2HB       ARG  85 -22.566  -8.447  -5.005
  242   2HB   ARG  85          1HB       ARG  85 -22.752  -6.735  -5.341
  243   1HG   ARG  85          2HG       ARG  85 -24.125  -6.467  -3.312
  244   2HG   ARG  85          1HG       ARG  85 -23.985  -8.180  -2.959
  245   1HD   ARG  85          2HD       ARG  85 -21.507  -7.932  -2.719
  246   2HD   ARG  85          1HD       ARG  85 -21.638  -6.215  -3.081
  247    HE   ARG  85           HE       ARG  85 -21.805  -7.094  -0.522
  248   1HH1  ARG  85          2HH1      ARG  85 -22.922  -4.487  -1.830
  249   2HH1  ARG  85          1HH1      ARG  85 -24.472  -4.384  -1.082
  250   1HH2  ARG  85          1HH2      ARG  85 -24.265  -7.677   0.142
  251   2HH2  ARG  85          2HH2      ARG  85 -25.252  -6.258   0.097
  252    H    GLN  86           HN       GLN  86 -26.310  -7.027  -3.937
  253    HA   GLN  86           HA       GLN  86 -27.244  -4.859  -5.747
  254   1HB   GLN  86          2HB       GLN  86 -28.455  -5.945  -3.152
  255   2HB   GLN  86          1HB       GLN  86 -29.196  -4.754  -4.206
  256   1HG   GLN  86          2HG       GLN  86 -29.318  -6.381  -6.062
  257   2HG   GLN  86          1HG       GLN  86 -28.430  -7.575  -5.128
  258   1HE2  GLN  86          2HE2      GLN  86 -32.366  -7.259  -4.514
  259   2HE2  GLN  86          1HE2      GLN  86 -31.606  -6.406  -5.776
   
  No H/Q in entry =         259
  Start of MODEL   12
    1   1H    ALA  59          3H        ALA  59   1.698   2.921   2.247
    2   2H    ALA  59          2H        ALA  59   2.276   1.611   3.162
    3   3H    ALA  59          1H        ALA  59   2.884   3.173   3.438
    4    HA   ALA  59           HA       ALA  59   4.445   2.911   1.928
    5   1HB   ALA  59          1HB       ALA  59   3.124   0.196   1.428
    6   2HB   ALA  59          3HB       ALA  59   4.753   0.614   0.922
    7   3HB   ALA  59          2HB       ALA  59   4.369   0.498   2.629
    8    H    ILE  60           H        ILE  60   4.736   2.173  -0.574
    9    HA   ILE  60           HA       ILE  60   3.295   4.008  -2.137
   10    HB   ILE  60           HB       ILE  60   5.498   2.875  -2.707
   11   1HG1  ILE  60          2HG1      ILE  60   5.088   2.592  -5.179
   12   2HG1  ILE  60          1HG1      ILE  60   3.374   2.787  -4.883
   13   1HG2  ILE  60          2HG2      ILE  60   4.916   0.549  -2.155
   14   2HG2  ILE  60          1HG2      ILE  60   3.763   0.495  -3.486
   15   3HG2  ILE  60          3HG2      ILE  60   5.474   0.666  -3.806
   16   1HD1  ILE  60          3HD1      ILE  60   5.528   4.830  -4.149
   17   2HD1  ILE  60          2HD1      ILE  60   4.465   4.948  -5.531
   18   3HD1  ILE  60          1HD1      ILE  60   3.803   5.072  -3.915
   19    H    ILE  61           H        ILE  61   2.379   0.747  -1.366
   20    HA   ILE  61           HA       ILE  61   0.420   0.648  -3.354
   21    HB   ILE  61           HB       ILE  61  -0.551  -1.083  -1.461
   22   1HG1  ILE  61          2HG1      ILE  61   1.292  -0.283   0.135
   23   2HG1  ILE  61          1HG1      ILE  61   0.922  -1.975  -0.040
   24   1HG2  ILE  61          3HG2      ILE  61   1.742  -1.655  -3.370
   25   2HG2  ILE  61          2HG2      ILE  61   0.747  -2.881  -2.593
   26   3HG2  ILE  61          1HG2      ILE  61   0.023  -1.744  -3.716
   27   1HD1  ILE  61          1HD1      ILE  61   3.285  -0.696  -1.523
   28   2HD1  ILE  61          3HD1      ILE  61   3.401  -1.603  -0.031
   29   3HD1  ILE  61          2HD1      ILE  61   2.833  -2.373  -1.490
   30    H    ARG  62           H        ARG  62   0.472   2.478  -0.650
   31    HA   ARG  62           HA       ARG  62  -2.478   2.765  -0.702
   32   1HB   ARG  62          2HB       ARG  62  -0.503   3.081   1.594
   33   2HB   ARG  62          1HB       ARG  62  -2.067   3.873   1.645
   34   1HG   ARG  62          2HG       ARG  62  -3.014   1.456   1.087
   35   2HG   ARG  62          1HG       ARG  62  -1.439   0.904   1.626
   36   1HD   ARG  62          2HD       ARG  62  -3.077   0.903   3.508
   37   2HD   ARG  62          1HD       ARG  62  -1.787   2.058   3.821
   38    HE   ARG  62           HE       ARG  62  -3.429   3.730   3.815
   39   1HH1  ARG  62          1HH2      ARG  62  -4.350   4.274   1.369
   40   2HH1  ARG  62          2HH2      ARG  62  -5.922   3.582   1.196
   41   1HH2  ARG  62          2HH1      ARG  62  -5.431   1.395   3.925
   42   2HH2  ARG  62          1HH1      ARG  62  -6.558   1.874   2.707
   43    H    ILE  63           H        ILE  63   0.568   4.394  -0.417
   44    HA   ILE  63           HA       ILE  63  -0.349   6.940  -0.368
   45    HB   ILE  63           HB       ILE  63   2.050   5.517  -1.444
   46   1HG1  ILE  63          2HG1      ILE  63   1.093   6.754   1.108
   47   2HG1  ILE  63          1HG1      ILE  63   2.182   5.419   0.850
   48   1HG2  ILE  63          3HG2      ILE  63   1.719   8.501  -1.423
   49   2HG2  ILE  63          2HG2      ILE  63   3.234   7.623  -1.698
   50   3HG2  ILE  63          1HG2      ILE  63   1.912   7.461  -2.836
   51   1HD1  ILE  63          1HD1      ILE  63   3.991   6.991   0.337
   52   2HD1  ILE  63          3HD1      ILE  63   2.865   8.330   0.586
   53   3HD1  ILE  63          2HD1      ILE  63   3.272   7.272   1.926
   54    H    LEU  64           H        LEU  64   0.279   5.000  -3.280
   55    HA   LEU  64           HA       LEU  64  -0.626   7.209  -4.979
   56   1HB   LEU  64          2HB       LEU  64  -0.454   4.282  -5.817
   57   2HB   LEU  64          1HB       LEU  64  -0.439   5.683  -6.852
   58    HG   LEU  64           HG       LEU  64   1.766   4.977  -4.869
   59   1HD1  LEU  64          1HD1      LEU  64   1.619   4.746  -7.912
   60   2HD1  LEU  64          3HD1      LEU  64   3.038   4.403  -6.950
   61   3HD1  LEU  64          2HD1      LEU  64   1.615   3.403  -6.783
   62   1HD2  LEU  64          3HD2      LEU  64   1.666   7.142  -7.042
   63   2HD2  LEU  64          2HD2      LEU  64   1.606   7.452  -5.314
   64   3HD2  LEU  64          1HD2      LEU  64   3.051   6.772  -6.030
   65    H    GLN  65           H        GLN  65  -1.938   4.393  -3.576
   66    HA   GLN  65           HA       GLN  65  -4.364   4.209  -5.039
   67   1HB   GLN  65          2HB       GLN  65  -3.439   3.217  -2.352
   68   2HB   GLN  65          1HB       GLN  65  -5.058   2.920  -2.910
   69   1HG   GLN  65          2HG       GLN  65  -3.486   1.036  -3.581
   70   2HG   GLN  65          1HG       GLN  65  -4.233   1.806  -4.952
   71   1HE2  GLN  65          2HE2      GLN  65  -0.297   2.858  -4.423
   72   2HE2  GLN  65          1HE2      GLN  65  -1.312   2.868  -3.068
   73    H    GLN  66           H        GLN  66  -3.494   6.502  -2.657
   74    HA   GLN  66           HA       GLN  66  -6.193   6.956  -1.772
   75   1HB   GLN  66          2HB       GLN  66  -3.600   8.607  -1.832
   76   2HB   GLN  66          1HB       GLN  66  -5.045   9.200  -1.065
   77   1HG   GLN  66          2HG       GLN  66  -5.014   7.271   0.529
   78   2HG   GLN  66          1HG       GLN  66  -3.633   6.604  -0.286
   79   1HE2  GLN  66          2HE2      GLN  66  -1.870   9.760   1.046
   80   2HE2  GLN  66          1HE2      GLN  66  -2.437   9.480  -0.529
   81    H    LEU  67           H        LEU  67  -4.302   7.768  -4.468
   82    HA   LEU  67           HA       LEU  67  -6.151   9.832  -5.405
   83   1HB   LEU  67          2HB       LEU  67  -3.767   8.498  -6.769
   84   2HB   LEU  67          1HB       LEU  67  -4.736   9.780  -7.451
   85    HG   LEU  67           HG       LEU  67  -4.223  11.019  -5.166
   86   1HD1  LEU  67          2HD1      LEU  67  -1.878   9.099  -5.302
   87   2HD1  LEU  67          1HD1      LEU  67  -1.975  10.513  -4.269
   88   3HD1  LEU  67          3HD1      LEU  67  -3.061   9.176  -4.014
   89   1HD2  LEU  67          3HD2      LEU  67  -3.514  11.789  -7.399
   90   2HD2  LEU  67          2HD2      LEU  67  -2.237  12.047  -6.226
   91   3HD2  LEU  67          1HD2      LEU  67  -2.132  10.701  -7.356
   92    H    LEU  68           H        LEU  68  -5.018   6.607  -6.300
   93    HA   LEU  68           HA       LEU  68  -6.953   6.111  -8.386
   94   1HB   LEU  68          2HB       LEU  68  -6.054   3.943  -6.423
   95   2HB   LEU  68          1HB       LEU  68  -6.462   3.738  -8.109
   96    HG   LEU  68           HG       LEU  68  -4.026   5.142  -6.987
   97   1HD1  LEU  68          1HD1      LEU  68  -3.908   2.660  -6.986
   98   2HD1  LEU  68          3HD1      LEU  68  -4.291   2.627  -8.693
   99   3HD1  LEU  68          2HD1      LEU  68  -2.775   3.317  -8.139
  100   1HD2  LEU  68          3HD2      LEU  68  -4.804   4.816  -9.925
  101   2HD2  LEU  68          2HD2      LEU  68  -4.749   6.341  -9.056
  102   3HD2  LEU  68          1HD2      LEU  68  -3.277   5.452  -9.347
  103    H    PHE  69           H        PHE  69  -7.189   5.976  -4.967
  104    HA   PHE  69           HA       PHE  69  -9.601   4.579  -4.619
  105   1HB   PHE  69          2HB       PHE  69  -8.249   5.467  -2.706
  106   2HB   PHE  69          1HB       PHE  69  -8.635   7.109  -3.180
  107    HD1  PHE  69           HD2      PHE  69 -10.126   3.926  -1.958
  108    HD2  PHE  69           HD1      PHE  69 -10.654   8.127  -2.433
  109    HE1  PHE  69           HE2      PHE  69 -12.139   3.836  -0.551
  110    HE2  PHE  69           HE1      PHE  69 -12.669   8.032  -1.021
  111    HZ   PHE  69           HZ       PHE  69 -13.405   5.886  -0.082
  112    H    ILE  70           H        ILE  70  -9.059   7.876  -5.477
  113    HA   ILE  70           HA       ILE  70 -11.773   8.736  -5.619
  114    HB   ILE  70           HB       ILE  70  -9.300   9.800  -6.942
  115   1HG1  ILE  70          2HG1      ILE  70 -10.709   9.971  -4.255
  116   2HG1  ILE  70          1HG1      ILE  70  -9.002   9.981  -4.615
  117   1HG2  ILE  70          2HG2      ILE  70 -12.068  11.059  -6.662
  118   2HG2  ILE  70          1HG2      ILE  70 -10.628  11.859  -7.292
  119   3HG2  ILE  70          3HG2      ILE  70 -11.344  10.533  -8.173
  120   1HD1  ILE  70          1HD1      ILE  70  -9.199  12.291  -5.429
  121   2HD1  ILE  70          3HD1      ILE  70 -10.930  12.244  -5.059
  122   3HD1  ILE  70          2HD1      ILE  70  -9.758  12.113  -3.756
  123    H    HIS  71           H        HIS  71  -9.644   7.459  -8.040
  124    HA   HIS  71           HA       HIS  71 -11.514   7.773 -10.241
  125   1HB   HIS  71          2HB       HIS  71  -9.128   5.887  -9.991
  126   2HB   HIS  71          1HB       HIS  71  -9.993   6.232 -11.485
  127    HD1  HIS  71           HD1      HIS  71  -7.164   7.033 -11.608
  128    HD2  HIS  71           HD2      HIS  71 -10.060   9.545  -9.992
  129    HE1  HIS  71           HE1      HIS  71  -6.343   9.378 -11.671
  130    H    PHE  72           H        PHE  72 -10.956   5.164  -7.964
  131    HA   PHE  72           HA       PHE  72 -12.751   3.383  -9.436
  132   1HB   PHE  72          2HB       PHE  72 -11.222   3.150  -6.812
  133   2HB   PHE  72          1HB       PHE  72 -12.522   2.037  -7.161
  134    HD1  PHE  72           HD2      PHE  72  -9.941   3.414  -9.551
  135    HD2  PHE  72           HD1      PHE  72 -11.473   0.007  -7.500
  136    HE1  PHE  72           HE2      PHE  72  -8.427   1.954 -10.826
  137    HE2  PHE  72           HE1      PHE  72  -9.959  -1.441  -8.768
  138    HZ   PHE  72           HZ       PHE  72  -8.438  -0.472 -10.436
  139    H    ARG  73           H        ARG  73 -12.699   5.510  -6.677
  140    HA   ARG  73           HA       ARG  73 -15.214   4.690  -5.725
  141   1HB   ARG  73          2HB       ARG  73 -13.617   6.068  -4.330
  142   2HB   ARG  73          1HB       ARG  73 -13.952   7.465  -5.351
  143   1HG   ARG  73          2HG       ARG  73 -16.345   7.362  -4.719
  144   2HG   ARG  73          1HG       ARG  73 -16.074   5.866  -3.850
  145   1HD   ARG  73          2HD       ARG  73 -14.507   7.173  -2.313
  146   2HD   ARG  73          1HD       ARG  73 -15.065   8.641  -3.117
  147    HE   ARG  73           HE       ARG  73 -17.114   8.415  -1.958
  148   1HH1  ARG  73          2HH1      ARG  73 -18.143   5.937  -2.797
  149   2HH1  ARG  73          1HH1      ARG  73 -18.008   4.883  -1.429
  150   1HH2  ARG  73          1HH2      ARG  73 -15.624   6.950   0.121
  151   2HH2  ARG  73          2HH2      ARG  73 -16.520   5.478   0.296
  152    H    ILE  74           H        ILE  74 -14.229   7.431  -7.695
  153    HA   ILE  74           HA       ILE  74 -16.933   8.318  -8.248
  154    HB   ILE  74           HB       ILE  74 -14.264   8.817  -9.701
  155   1HG1  ILE  74          2HG1      ILE  74 -15.971  10.576  -7.877
  156   2HG1  ILE  74          1HG1      ILE  74 -14.448   9.826  -7.454
  157   1HG2  ILE  74          1HG2      ILE  74 -16.162   9.025 -11.340
  158   2HG2  ILE  74          3HG2      ILE  74 -16.968  10.147 -10.261
  159   3HG2  ILE  74          2HG2      ILE  74 -15.448  10.582 -11.026
  160   1HD1  ILE  74          1HD1      ILE  74 -13.302  11.195  -9.230
  161   2HD1  ILE  74          3HD1      ILE  74 -14.832  11.975  -9.603
  162   3HD1  ILE  74          2HD1      ILE  74 -14.105  12.190  -8.030
  163    H    GLY  75           H        GLY  75 -14.498   6.430 -10.004
  164   1HA   GLY  75          2HA       GLY  75 -15.880   5.791 -12.317
  165   2HA   GLY  75          1HA       GLY  75 -14.784   4.676 -11.513
  166    H    CYS  76           H        CYS  76 -16.012   3.851  -9.328
  167    HA   CYS  76           HA       CYS  76 -18.064   2.139 -10.312
  168   1HB   CYS  76          2HB       CYS  76 -17.234   2.778  -7.484
  169   2HB   CYS  76          1HB       CYS  76 -18.296   1.468  -7.899
  170    HG   CYS  76           HG       CYS  76 -15.244   1.475  -8.193
  171    H    ARG  77           H        ARG  77 -18.503   5.146  -9.758
  172    HA   ARG  77           HA       ARG  77 -21.095   5.074  -8.360
  173   1HB   ARG  77          2HB       ARG  77 -19.364   7.061  -8.418
  174   2HB   ARG  77          1HB       ARG  77 -20.081   7.451  -9.968
  175   1HG   ARG  77          2HG       ARG  77 -22.342   7.555  -8.932
  176   2HG   ARG  77          1HG       ARG  77 -21.659   7.139  -7.373
  177   1HD   ARG  77          2HD       ARG  77 -20.248   9.243  -7.503
  178   2HD   ARG  77          1HD       ARG  77 -21.134   9.683  -8.963
  179    HE   ARG  77           HE       ARG  77 -22.252   9.532  -6.216
  180   1HH1  ARG  77          1HH2      ARG  77 -23.885   8.677  -8.759
  181   2HH1  ARG  77          2HH2      ARG  77 -24.853  10.090  -8.977
  182   1HH2  ARG  77          2HH1      ARG  77 -22.893  11.991  -6.767
  183   2HH2  ARG  77          1HH1      ARG  77 -24.279  12.034  -7.794
  184    H    HIS  78           H        HIS  78 -19.840   4.600 -11.440
  185    HA   HIS  78           HA       HIS  78 -21.739   5.486 -13.243
  186   1HB   HIS  78          2HB       HIS  78 -21.025   3.540 -14.617
  187   2HB   HIS  78          1HB       HIS  78 -19.649   4.310 -13.882
  188    HD1  HIS  78           HD1      HIS  78 -18.131   2.789 -12.646
  189    HD2  HIS  78           HD2      HIS  78 -21.886   1.098 -13.147
  190    HE1  HIS  78           HE1      HIS  78 -18.092   0.421 -11.821
  191    H    SER  79           H        SER  79 -21.865   2.814 -11.102
  192    HA   SER  79           HA       SER  79 -24.576   2.701 -10.579
  193   1HB   SER  79          2HB       SER  79 -23.862   1.412 -13.193
  194   2HB   SER  79          1HB       SER  79 -24.745   0.421 -12.065
  195    HG   SER  79           HG       SER  79 -25.312   3.051 -12.951
  196    H    ARG  80           H        ARG  80 -21.939   2.140  -9.467
  197    HA   ARG  80           HA       ARG  80 -20.700   0.470  -8.404
  198   1HB   ARG  80          2HB       ARG  80 -22.143   1.847  -6.839
  199   2HB   ARG  80          1HB       ARG  80 -23.345   0.570  -6.871
  200   1HG   ARG  80          2HG       ARG  80 -21.944  -0.966  -5.695
  201   2HG   ARG  80          1HG       ARG  80 -20.479  -0.103  -6.119
  202   1HD   ARG  80          2HD       ARG  80 -21.040   0.226  -3.742
  203   2HD   ARG  80          1HD       ARG  80 -21.153   1.757  -4.600
  204    HE   ARG  80           HE       ARG  80 -23.731   0.816  -4.715
  205   1HH1  ARG  80          1HH2      ARG  80 -22.191   2.869  -2.836
  206   2HH1  ARG  80          2HH2      ARG  80 -22.931   2.486  -1.324
  207   1HH2  ARG  80          2HH1      ARG  80 -24.375  -0.465  -2.537
  208   2HH2  ARG  80          1HH1      ARG  80 -24.197   0.548  -1.152
  209    H    ILE  81           H        ILE  81 -21.406  -0.797 -10.447
  210    HA   ILE  81           HA       ILE  81 -22.989  -3.151 -10.229
  211    HB   ILE  81           HB       ILE  81 -20.516  -2.596 -11.947
  212   1HG1  ILE  81          2HG1      ILE  81 -22.261  -0.855 -12.236
  213   2HG1  ILE  81          1HG1      ILE  81 -22.032  -1.781 -13.701
  214   1HG2  ILE  81          2HG2      ILE  81 -22.733  -4.624 -12.425
  215   2HG2  ILE  81          1HG2      ILE  81 -21.451  -4.226 -13.567
  216   3HG2  ILE  81          3HG2      ILE  81 -21.066  -4.970 -12.033
  217   1HD1  ILE  81          3HD1      ILE  81 -24.087  -3.111 -13.117
  218   2HD1  ILE  81          2HD1      ILE  81 -24.286  -2.138 -11.664
  219   3HD1  ILE  81          1HD1      ILE  81 -24.437  -1.405 -13.245
  220    H    GLY  82           H        GLY  82 -20.179  -2.387  -8.807
  221   1HA   GLY  82          2HA       GLY  82 -18.937  -3.541  -7.133
  222   2HA   GLY  82          1HA       GLY  82 -19.873  -4.978  -7.496
  223    H    VAL  83           H        VAL  83 -19.422  -5.385  -9.999
  224    HA   VAL  83           HA       VAL  83 -17.286  -6.972 -10.346
  225    HB   VAL  83           HB       VAL  83 -18.629  -5.177 -12.433
  226   1HG1  VAL  83          2HG1      VAL  83 -17.102  -7.776 -12.796
  227   2HG1  VAL  83          1HG1      VAL  83 -18.008  -6.948 -14.053
  228   3HG1  VAL  83          3HG1      VAL  83 -16.571  -6.204 -13.371
  229   1HG2  VAL  83          2HG2      VAL  83 -20.211  -6.692 -11.118
  230   2HG2  VAL  83          1HG2      VAL  83 -20.073  -7.186 -12.791
  231   3HG2  VAL  83          3HG2      VAL  83 -19.206  -8.056 -11.543
  232    H    THR  84           H        THR  84 -16.906  -3.590 -10.258
  233    HA   THR  84           HA       THR  84 -15.047  -2.206 -10.267
  234    HB   THR  84           HB       THR  84 -13.358  -4.792 -10.409
  235    HG1  THR  84           HG1      THR  84 -15.175  -4.175  -8.657
  236   1HG2  THR  84          3HG2      THR  84 -12.107  -2.522 -10.561
  237   2HG2  THR  84          2HG2      THR  84 -12.844  -2.114  -9.012
  238   3HG2  THR  84          1HG2      THR  84 -11.748  -3.479  -9.132
  239    H    ARG  85           H        ARG  85 -14.665  -4.794 -12.659
  240    HA   ARG  85           HA       ARG  85 -13.434  -2.905 -14.538
  241   1HB   ARG  85          2HB       ARG  85 -12.313  -5.058 -13.965
  242   2HB   ARG  85          1HB       ARG  85 -13.708  -5.943 -14.523
  243   1HG   ARG  85          2HG       ARG  85 -12.765  -4.215 -16.689
  244   2HG   ARG  85          1HG       ARG  85 -11.399  -5.074 -16.013
  245   1HD   ARG  85          2HD       ARG  85 -12.693  -7.229 -16.195
  246   2HD   ARG  85          1HD       ARG  85 -13.976  -6.340 -17.016
  247    HE   ARG  85           HE       ARG  85 -11.603  -5.756 -18.407
  248   1HH1  ARG  85          2HH1      ARG  85 -11.206  -8.637 -17.523
  249   2HH1  ARG  85          1HH1      ARG  85 -11.799  -9.520 -18.888
  250   1HH2  ARG  85          1HH2      ARG  85 -13.440  -6.674 -20.175
  251   2HH2  ARG  85          2HH2      ARG  85 -13.137  -8.355 -20.450
  252    H    GLN  86           HN       GLN  86 -16.271  -3.154 -13.822
  253    HA   GLN  86           HA       GLN  86 -17.421  -2.774 -16.490
  254   1HB   GLN  86          2HB       GLN  86 -17.642  -5.315 -16.090
  255   2HB   GLN  86          1HB       GLN  86 -18.612  -4.947 -14.677
  256   1HG   GLN  86          2HG       GLN  86 -20.264  -3.716 -16.184
  257   2HG   GLN  86          1HG       GLN  86 -19.335  -4.276 -17.567
  258   1HE2  GLN  86          2HE2      GLN  86 -22.027  -6.757 -17.093
  259   2HE2  GLN  86          1HE2      GLN  86 -21.947  -5.122 -17.550
   
  No H/Q in entry =         259
  Start of MODEL   13
    1   1H    ALA  59          3H        ALA  59   4.817   5.412   1.820
    2   2H    ALA  59          2H        ALA  59   4.461   4.876   3.390
    3   3H    ALA  59          1H        ALA  59   5.893   4.379   2.626
    4    HA   ALA  59           HA       ALA  59   4.877   2.616   1.783
    5   1HB   ALA  59          2HB       ALA  59   3.488   2.733   3.856
    6   2HB   ALA  59          1HB       ALA  59   2.355   3.799   3.028
    7   3HB   ALA  59          3HB       ALA  59   2.538   2.136   2.502
    8    H    ILE  60           H        ILE  60   5.366   3.873  -0.239
    9    HA   ILE  60           HA       ILE  60   3.520   5.324  -1.770
   10    HB   ILE  60           HB       ILE  60   5.437   3.190  -2.831
   11   1HG1  ILE  60          2HG1      ILE  60   6.707   4.694  -1.330
   12   2HG1  ILE  60          1HG1      ILE  60   7.121   5.029  -2.987
   13   1HG2  ILE  60          1HG2      ILE  60   4.365   5.720  -4.162
   14   2HG2  ILE  60          3HG2      ILE  60   5.552   4.630  -4.858
   15   3HG2  ILE  60          2HG2      ILE  60   3.917   4.073  -4.569
   16   1HD1  ILE  60          1HD1      ILE  60   5.138   6.691  -1.355
   17   2HD1  ILE  60          3HD1      ILE  60   6.792   7.132  -1.714
   18   3HD1  ILE  60          2HD1      ILE  60   5.625   7.017  -3.009
   19    H    ILE  61           H        ILE  61   3.714   1.871  -1.413
   20    HA   ILE  61           HA       ILE  61   1.721   1.379  -3.285
   21    HB   ILE  61           HB       ILE  61   1.734  -0.892  -2.081
   22   1HG1  ILE  61          2HG1      ILE  61   3.362  -1.355  -0.470
   23   2HG1  ILE  61          1HG1      ILE  61   4.109   0.218  -0.518
   24   1HG2  ILE  61          1HG2      ILE  61   4.377   0.313  -3.021
   25   2HG2  ILE  61          3HG2      ILE  61   4.058  -1.409  -2.893
   26   3HG2  ILE  61          2HG2      ILE  61   3.164  -0.432  -4.044
   27   1HD1  ILE  61          2HD1      ILE  61   1.294  -0.438   0.475
   28   2HD1  ILE  61          1HD1      ILE  61   2.675  -0.029   1.485
   29   3HD1  ILE  61          3HD1      ILE  61   1.975   1.186   0.447
   30    H    ARG  62           H        ARG  62   1.181   3.109  -0.847
   31    HA   ARG  62           HA       ARG  62  -1.630   2.314  -0.581
   32   1HB   ARG  62          2HB       ARG  62  -0.122   1.627   1.527
   33   2HB   ARG  62          1HB       ARG  62   0.089   3.341   1.771
   34   1HG   ARG  62          2HG       ARG  62  -1.707   2.661   3.222
   35   2HG   ARG  62          1HG       ARG  62  -2.437   3.585   1.926
   36   1HD   ARG  62          2HD       ARG  62  -3.790   1.585   2.276
   37   2HD   ARG  62          1HD       ARG  62  -2.946   1.355   0.755
   38    HE   ARG  62           HE       ARG  62  -1.279  -0.034   2.014
   39   1HH1  ARG  62          1HH2      ARG  62  -3.371   1.095   4.265
   40   2HH1  ARG  62          2HH2      ARG  62  -3.861  -0.422   4.937
   41   1HH2  ARG  62          2HH1      ARG  62  -2.251  -2.234   2.381
   42   2HH2  ARG  62          1HH1      ARG  62  -3.194  -2.376   3.819
   43    H    ILE  63           H        ILE  63   0.841   4.732  -0.275
   44    HA   ILE  63           HA       ILE  63  -0.865   6.876   0.087
   45    HB   ILE  63           HB       ILE  63   1.871   6.425  -1.016
   46   1HG1  ILE  63          2HG1      ILE  63   0.486   7.184   1.580
   47   2HG1  ILE  63          1HG1      ILE  63   1.784   6.055   1.300
   48   1HG2  ILE  63          3HG2      ILE  63   0.544   9.102  -0.679
   49   2HG2  ILE  63          2HG2      ILE  63   2.257   8.815  -1.025
   50   3HG2  ILE  63          1HG2      ILE  63   1.040   8.372  -2.208
   51   1HD1  ILE  63          2HD1      ILE  63   3.305   7.924   0.913
   52   2HD1  ILE  63          1HD1      ILE  63   1.968   9.046   1.216
   53   3HD1  ILE  63          3HD1      ILE  63   2.531   7.994   2.509
   54    H    LEU  64           H        LEU  64   0.434   5.505  -2.951
   55    HA   LEU  64           HA       LEU  64  -0.967   7.373  -4.635
   56   1HB   LEU  64          2HB       LEU  64  -0.085   4.551  -5.384
   57   2HB   LEU  64          1HB       LEU  64  -0.428   5.853  -6.489
   58    HG   LEU  64           HG       LEU  64   1.858   5.872  -4.451
   59   1HD1  LEU  64          3HD1      LEU  64   1.863   5.525  -7.486
   60   2HD1  LEU  64          2HD1      LEU  64   3.286   5.643  -6.473
   61   3HD1  LEU  64          1HD1      LEU  64   2.213   4.269  -6.313
   62   1HD2  LEU  64          3HD2      LEU  64   1.172   7.847  -6.686
   63   2HD2  LEU  64          2HD2      LEU  64   1.014   8.179  -4.968
   64   3HD2  LEU  64          1HD2      LEU  64   2.596   7.918  -5.666
   65    H    GLN  65           H        GLN  65  -1.798   4.348  -3.286
   66    HA   GLN  65           HA       GLN  65  -4.030   3.593  -4.828
   67   1HB   GLN  65          2HB       GLN  65  -3.254   3.164  -1.920
   68   2HB   GLN  65          1HB       GLN  65  -4.636   2.396  -2.637
   69   1HG   GLN  65          2HG       GLN  65  -2.410   1.014  -2.701
   70   2HG   GLN  65          1HG       GLN  65  -3.285   1.126  -4.206
   71   1HE2  GLN  65          2HE2      GLN  65   0.250   3.220  -3.901
   72   2HE2  GLN  65          1HE2      GLN  65  -0.657   2.964  -2.500
   73    H    GLN  66           H        GLN  66  -3.852   6.233  -2.624
   74    HA   GLN  66           HA       GLN  66  -6.655   6.336  -2.027
   75   1HB   GLN  66          2HB       GLN  66  -4.385   8.320  -1.913
   76   2HB   GLN  66          1HB       GLN  66  -6.012   8.745  -1.506
   77   1HG   GLN  66          2HG       GLN  66  -5.956   6.829   0.233
   78   2HG   GLN  66          1HG       GLN  66  -4.216   6.744  -0.078
   79   1HE2  GLN  66          2HE2      GLN  66  -3.632   9.995   1.307
   80   2HE2  GLN  66          1HE2      GLN  66  -2.987   8.847   0.223
   81    H    LEU  67           H        LEU  67  -4.610   7.549  -4.527
   82    HA   LEU  67           HA       LEU  67  -6.546   9.413  -5.651
   83   1HB   LEU  67          2HB       LEU  67  -4.040   8.205  -6.871
   84   2HB   LEU  67          1HB       LEU  67  -5.030   9.444  -7.610
   85    HG   LEU  67           HG       LEU  67  -4.694  10.748  -5.332
   86   1HD1  LEU  67          2HD1      LEU  67  -2.290   8.895  -5.258
   87   2HD1  LEU  67          1HD1      LEU  67  -2.496  10.320  -4.260
   88   3HD1  LEU  67          3HD1      LEU  67  -3.549   8.953  -4.042
   89   1HD2  LEU  67          2HD2      LEU  67  -2.455  10.453  -7.352
   90   2HD2  LEU  67          1HD2      LEU  67  -3.865  11.500  -7.488
   91   3HD2  LEU  67          3HD2      LEU  67  -2.668  11.798  -6.238
   92    H    LEU  68           H        LEU  68  -5.287   6.275  -6.308
   93    HA   LEU  68           HA       LEU  68  -6.992   5.666  -8.564
   94   1HB   LEU  68          2HB       LEU  68  -5.904   3.616  -6.543
   95   2HB   LEU  68          1HB       LEU  68  -6.233   3.331  -8.238
   96    HG   LEU  68           HG       LEU  68  -3.979   5.104  -7.153
   97   1HD1  LEU  68          1HD1      LEU  68  -3.875   2.420  -8.591
   98   2HD1  LEU  68          3HD1      LEU  68  -2.494   3.387  -8.107
   99   3HD1  LEU  68          2HD1      LEU  68  -3.523   2.676  -6.891
  100   1HD2  LEU  68          1HD2      LEU  68  -4.670   4.394 -10.040
  101   2HD2  LEU  68          3HD2      LEU  68  -4.845   5.985  -9.316
  102   3HD2  LEU  68          2HD2      LEU  68  -3.255   5.289  -9.517
  103    H    PHE  69           H        PHE  69  -7.195   5.314  -5.149
  104    HA   PHE  69           HA       PHE  69  -9.616   3.839  -4.965
  105   1HB   PHE  69          2HB       PHE  69  -8.337   4.429  -2.870
  106   2HB   PHE  69          1HB       PHE  69  -8.685   6.128  -3.130
  107    HD1  PHE  69           HD1      PHE  69 -10.619   2.911  -3.015
  108    HD2  PHE  69           HD2      PHE  69 -10.427   7.009  -1.840
  109    HE1  PHE  69           HE1      PHE  69 -12.730   2.662  -1.797
  110    HE2  PHE  69           HE2      PHE  69 -12.540   6.753  -0.614
  111    HZ   PHE  69           HZ       PHE  69 -13.694   4.583  -0.590
  112    H    ILE  70           H        ILE  70  -9.097   7.275  -5.070
  113    HA   ILE  70           HA       ILE  70 -11.851   7.969  -5.325
  114    HB   ILE  70           HB       ILE  70  -9.332   9.406  -6.098
  115   1HG1  ILE  70          2HG1      ILE  70 -11.074   8.999  -3.667
  116   2HG1  ILE  70          1HG1      ILE  70  -9.368   9.304  -3.773
  117   1HG2  ILE  70          3HG2      ILE  70 -12.174  10.491  -6.073
  118   2HG2  ILE  70          2HG2      ILE  70 -10.722  11.458  -6.313
  119   3HG2  ILE  70          1HG2      ILE  70 -11.186  10.275  -7.512
  120   1HD1  ILE  70          2HD1      ILE  70  -9.821  11.692  -4.195
  121   2HD1  ILE  70          1HD1      ILE  70 -11.555  11.355  -4.093
  122   3HD1  ILE  70          3HD1      ILE  70 -10.537  11.128  -2.680
  123    H    HIS  71           H        HIS  71  -9.490   7.261  -7.782
  124    HA   HIS  71           HA       HIS  71 -11.230   7.974  -9.993
  125   1HB   HIS  71          2HB       HIS  71  -8.846   6.070  -9.978
  126   2HB   HIS  71          1HB       HIS  71  -9.584   6.761 -11.416
  127    HD1  HIS  71           HD1      HIS  71  -6.651   7.418 -10.767
  128    HD2  HIS  71           HD2      HIS  71  -9.885   9.757  -9.585
  129    HE1  HIS  71           HE1      HIS  71  -5.865   9.743 -10.342
  130    H    PHE  72           H        PHE  72 -10.880   4.994  -8.186
  131    HA   PHE  72           HA       PHE  72 -12.533   3.558 -10.134
  132   1HB   PHE  72          2HB       PHE  72 -10.552   2.825  -8.157
  133   2HB   PHE  72          1HB       PHE  72 -12.049   2.059  -7.666
  134    HD1  PHE  72           HD1      PHE  72 -13.426   1.170  -9.925
  135    HD2  PHE  72           HD2      PHE  72  -9.200   1.454  -9.479
  136    HE1  PHE  72           HE1      PHE  72 -13.126  -0.544 -11.662
  137    HE2  PHE  72           HE2      PHE  72  -8.895  -0.253 -11.210
  138    HZ   PHE  72           HZ       PHE  72 -10.862  -1.255 -12.309
  139    H    ARG  73           H        ARG  73 -12.588   4.911  -6.935
  140    HA   ARG  73           HA       ARG  73 -15.142   3.902  -6.269
  141   1HB   ARG  73          2HB       ARG  73 -13.374   4.886  -4.668
  142   2HB   ARG  73          1HB       ARG  73 -13.881   6.481  -5.186
  143   1HG   ARG  73          2HG       ARG  73 -14.985   5.949  -3.090
  144   2HG   ARG  73          1HG       ARG  73 -16.217   5.882  -4.337
  145   1HD   ARG  73          2HD       ARG  73 -16.177   3.441  -4.356
  146   2HD   ARG  73          1HD       ARG  73 -14.714   3.393  -3.377
  147    HE   ARG  73           HE       ARG  73 -16.554   4.777  -1.817
  148   1HH1  ARG  73          1HH2      ARG  73 -18.819   3.424  -2.603
  149   2HH1  ARG  73          2HH2      ARG  73 -18.797   1.884  -1.811
  150   1HH2  ARG  73          2HH1      ARG  73 -15.339   2.106  -1.187
  151   2HH2  ARG  73          1HH1      ARG  73 -16.736   1.101  -0.999
  152    H    ILE  74           H        ILE  74 -14.038   6.950  -7.719
  153    HA   ILE  74           HA       ILE  74 -16.750   7.975  -7.965
  154    HB   ILE  74           HB       ILE  74 -14.114   8.799  -9.311
  155   1HG1  ILE  74          2HG1      ILE  74 -15.800   9.989  -7.045
  156   2HG1  ILE  74          1HG1      ILE  74 -14.252   9.200  -6.856
  157   1HG2  ILE  74          1HG2      ILE  74 -16.070   9.433 -10.778
  158   2HG2  ILE  74          3HG2      ILE  74 -16.804  10.247  -9.410
  159   3HG2  ILE  74          2HG2      ILE  74 -15.312  10.851 -10.100
  160   1HD1  ILE  74          2HD1      ILE  74 -13.193  11.034  -8.226
  161   2HD1  ILE  74          1HD1      ILE  74 -14.754  11.837  -8.330
  162   3HD1  ILE  74          3HD1      ILE  74 -13.981  11.638  -6.776
  163    H    GLY  75           H        GLY  75 -14.664   5.922  -9.857
  164   1HA   GLY  75          2HA       GLY  75 -16.164   6.129 -12.331
  165   2HA   GLY  75          1HA       GLY  75 -15.069   4.802 -11.912
  166    H    CYS  76           H        CYS  76 -15.984   3.534  -9.994
  167    HA   CYS  76           HA       CYS  76 -18.167   1.996 -10.784
  168   1HB   CYS  76          2HB       CYS  76 -16.861   2.372  -8.109
  169   2HB   CYS  76          1HB       CYS  76 -18.036   1.143  -8.406
  170    HG   CYS  76           HG       CYS  76 -16.355  -0.224  -9.649
  171    H    ARG  77           H        ARG  77 -18.684   4.906  -9.972
  172    HA   ARG  77           HA       ARG  77 -21.023   4.637  -8.196
  173   1HB   ARG  77          2HB       ARG  77 -19.233   6.679  -8.427
  174   2HB   ARG  77          1HB       ARG  77 -20.389   7.243  -9.605
  175   1HG   ARG  77          2HG       ARG  77 -20.993   6.603  -6.682
  176   2HG   ARG  77          1HG       ARG  77 -20.821   8.204  -7.353
  177   1HD   ARG  77          2HD       ARG  77 -23.045   6.247  -8.110
  178   2HD   ARG  77          1HD       ARG  77 -23.203   7.598  -7.011
  179    HE   ARG  77           HE       ARG  77 -22.320   8.902  -9.203
  180   1HH1  ARG  77          2HH1      ARG  77 -22.944   7.013 -11.133
  181   2HH1  ARG  77          1HH1      ARG  77 -24.614   7.214 -11.513
  182   1HH2  ARG  77          1HH2      ARG  77 -25.216   8.943  -8.498
  183   2HH2  ARG  77          2HH2      ARG  77 -25.965   8.351  -9.936
  184    H    HIS  78           H        HIS  78 -20.152   5.229 -11.465
  185    HA   HIS  78           HA       HIS  78 -22.300   6.105 -12.851
  186   1HB   HIS  78          2HB       HIS  78 -21.514   4.824 -14.716
  187   2HB   HIS  78          1HB       HIS  78 -20.103   5.151 -13.742
  188    HD1  HIS  78           HD1      HIS  78 -21.795   2.375 -15.275
  189    HD2  HIS  78           HD2      HIS  78 -19.542   3.010 -11.868
  190    HE1  HIS  78           HE1      HIS  78 -20.914   0.182 -14.471
  191    H    SER  79           H        SER  79 -22.026   2.831 -11.687
  192    HA   SER  79           HA       SER  79 -24.991   2.488 -11.940
  193   1HB   SER  79          2HB       SER  79 -22.773   0.530 -12.676
  194   2HB   SER  79          1HB       SER  79 -24.477   0.116 -12.611
  195    HG   SER  79           HG       SER  79 -24.698   1.105 -14.493
  196    H    ARG  80           H        ARG  80 -23.089   3.192  -9.902
  197    HA   ARG  80           HA       ARG  80 -22.334   2.848  -7.797
  198   1HB   ARG  80          2HB       ARG  80 -24.703   3.776  -7.714
  199   2HB   ARG  80          1HB       ARG  80 -25.295   2.151  -7.418
  200   1HG   ARG  80          2HG       ARG  80 -24.073   2.002  -5.297
  201   2HG   ARG  80          1HG       ARG  80 -23.163   3.455  -5.653
  202   1HD   ARG  80          2HD       ARG  80 -24.897   3.998  -4.023
  203   2HD   ARG  80          1HD       ARG  80 -25.297   4.779  -5.541
  204    HE   ARG  80           HE       ARG  80 -26.694   2.461  -5.770
  205   1HH1  ARG  80          1HH2      ARG  80 -26.848   5.288  -3.929
  206   2HH1  ARG  80          2HH2      ARG  80 -28.186   4.793  -2.951
  207   1HH2  ARG  80          2HH1      ARG  80 -28.211   1.536  -4.211
  208   2HH2  ARG  80          1HH1      ARG  80 -28.956   2.635  -3.120
  209    H    ILE  81           H        ILE  81 -21.228   1.020  -8.553
  210    HA   ILE  81           HA       ILE  81 -21.938  -1.703  -7.879
  211    HB   ILE  81           HB       ILE  81 -19.420  -0.213  -8.655
  212   1HG1  ILE  81          2HG1      ILE  81 -19.437  -1.644 -10.664
  213   2HG1  ILE  81          1HG1      ILE  81 -20.864  -2.468 -10.064
  214   1HG2  ILE  81          2HG2      ILE  81 -19.366  -3.152  -7.947
  215   2HG2  ILE  81          1HG2      ILE  81 -18.088  -2.289  -8.799
  216   3HG2  ILE  81          3HG2      ILE  81 -18.491  -1.855  -7.153
  217   1HD1  ILE  81          1HD1      ILE  81 -20.719   0.512 -10.674
  218   2HD1  ILE  81          3HD1      ILE  81 -21.415  -0.723 -11.714
  219   3HD1  ILE  81          2HD1      ILE  81 -22.158  -0.380 -10.169
  220    H    GLY  82           H        GLY  82 -21.474   0.698  -5.812
  221   1HA   GLY  82          2HA       GLY  82 -20.071  -0.868  -3.746
  222   2HA   GLY  82          1HA       GLY  82 -20.339   0.861  -3.671
  223    H    VAL  83           H        VAL  83 -22.172   1.615  -2.730
  224    HA   VAL  83           HA       VAL  83 -23.500   0.290  -0.764
  225    HB   VAL  83           HB       VAL  83 -24.575   2.512  -2.585
  226   1HG1  VAL  83          3HG1      VAL  83 -25.344   1.764   0.254
  227   2HG1  VAL  83          2HG1      VAL  83 -25.960   3.145  -0.651
  228   3HG1  VAL  83          1HG1      VAL  83 -26.365   1.512  -1.156
  229   1HG2  VAL  83          1HG2      VAL  83 -23.048   2.639   0.067
  230   2HG2  VAL  83          3HG2      VAL  83 -22.352   3.054  -1.482
  231   3HG2  VAL  83          2HG2      VAL  83 -23.644   4.026  -0.824
  232    H    THR  84           H        THR  84 -25.125   0.907  -3.755
  233    HA   THR  84           HA       THR  84 -26.609  -0.378  -5.064
  234    HB   THR  84           HB       THR  84 -25.837  -2.778  -3.228
  235    HG1  THR  84           HG1      THR  84 -23.933  -2.048  -4.038
  236   1HG2  THR  84          3HG2      THR  84 -26.536  -2.597  -6.196
  237   2HG2  THR  84          2HG2      THR  84 -26.250  -4.061  -5.269
  238   3HG2  THR  84          1HG2      THR  84 -27.704  -3.116  -4.987
  239    H    ARG  85           H        ARG  85 -26.812  -1.453  -1.701
  240    HA   ARG  85           HA       ARG  85 -29.415  -0.275  -1.198
  241   1HB   ARG  85          2HB       ARG  85 -28.890  -3.270  -1.376
  242   2HB   ARG  85          1HB       ARG  85 -30.033  -2.659  -0.212
  243   1HG   ARG  85          2HG       ARG  85 -31.296  -1.550  -2.119
  244   2HG   ARG  85          1HG       ARG  85 -30.179  -2.305  -3.245
  245   1HD   ARG  85          2HD       ARG  85 -30.883  -4.553  -2.538
  246   2HD   ARG  85          1HD       ARG  85 -31.882  -3.877  -1.254
  247    HE   ARG  85           HE       ARG  85 -32.623  -2.845  -3.863
  248   1HH1  ARG  85          2HH1      ARG  85 -34.145  -3.893  -1.336
  249   2HH1  ARG  85          1HH1      ARG  85 -35.125  -5.128  -2.051
  250   1HH2  ARG  85          1HH2      ARG  85 -33.226  -5.091  -5.014
  251   2HH2  ARG  85          2HH2      ARG  85 -34.587  -5.835  -4.242
  252    H    GLN  86           HN       GLN  86 -29.717  -0.454   1.267
  253    HA   GLN  86           HA       GLN  86 -27.411  -1.451   2.779
  254   1HB   GLN  86          2HB       GLN  86 -26.750   0.880   1.863
  255   2HB   GLN  86          1HB       GLN  86 -28.032   1.561   2.849
  256   1HG   GLN  86          2HG       GLN  86 -25.584   0.039   3.874
  257   2HG   GLN  86          1HG       GLN  86 -25.855   1.762   4.000
  258   1HE2  GLN  86          2HE2      GLN  86 -27.245  -0.463   6.939
  259   2HE2  GLN  86          1HE2      GLN  86 -26.042  -0.992   5.861
   
  No H/Q in entry =         259
  Start of MODEL   14
    1   1H    ALA  59          2H        ALA  59   6.158   4.116   0.109
    2   2H    ALA  59          1H        ALA  59   6.218   4.749   1.670
    3   3H    ALA  59          3H        ALA  59   6.413   3.083   1.435
    4    HA   ALA  59           HA       ALA  59   4.248   2.773   1.675
    5   1HB   ALA  59          1HB       ALA  59   4.072   5.822   1.773
    6   2HB   ALA  59          3HB       ALA  59   2.808   4.723   2.295
    7   3HB   ALA  59          2HB       ALA  59   4.336   4.780   3.163
    8    H    ILE  60           H        ILE  60   5.354   3.164  -1.054
    9    HA   ILE  60           HA       ILE  60   3.559   4.555  -2.755
   10    HB   ILE  60           HB       ILE  60   5.739   3.507  -3.476
   11   1HG1  ILE  60          2HG1      ILE  60   4.966   2.579  -5.690
   12   2HG1  ILE  60          1HG1      ILE  60   3.317   2.658  -5.115
   13   1HG2  ILE  60          1HG2      ILE  60   5.589   1.351  -2.307
   14   2HG2  ILE  60          3HG2      ILE  60   4.251   0.858  -3.347
   15   3HG2  ILE  60          2HG2      ILE  60   5.846   1.105  -4.017
   16   1HD1  ILE  60          1HD1      ILE  60   5.238   5.027  -5.325
   17   2HD1  ILE  60          3HD1      ILE  60   3.937   4.679  -6.439
   18   3HD1  ILE  60          2HD1      ILE  60   3.565   5.147  -4.794
   19    H    ILE  61           H        ILE  61   3.194   1.444  -1.231
   20    HA   ILE  61           HA       ILE  61   0.909   0.817  -2.706
   21    HB   ILE  61           HB       ILE  61   0.609  -0.768  -0.561
   22   1HG1  ILE  61          2HG1      ILE  61   2.514   0.564   0.610
   23   2HG1  ILE  61          1HG1      ILE  61   2.359  -1.163   0.760
   24   1HG2  ILE  61          2HG2      ILE  61   2.701  -1.166  -2.729
   25   2HG2  ILE  61          1HG2      ILE  61   2.077  -2.447  -1.697
   26   3HG2  ILE  61          3HG2      ILE  61   1.008  -1.613  -2.805
   27   1HD1  ILE  61          1HD1      ILE  61   4.245   0.117  -1.279
   28   2HD1  ILE  61          3HD1      ILE  61   4.730  -0.476   0.296
   29   3HD1  ILE  61          2HD1      ILE  61   4.074  -1.569  -0.907
   30    H    ARG  62           H        ARG  62   1.086   3.275  -0.899
   31    HA   ARG  62           HA       ARG  62  -1.731   3.223  -0.075
   32   1HB   ARG  62          2HB       ARG  62   0.687   3.481   1.703
   33   2HB   ARG  62          1HB       ARG  62  -0.418   4.827   1.904
   34   1HG   ARG  62          2HG       ARG  62  -2.270   3.307   2.443
   35   2HG   ARG  62          1HG       ARG  62  -1.275   1.903   2.094
   36   1HD   ARG  62          2HD       ARG  62   0.142   2.299   4.008
   37   2HD   ARG  62          1HD       ARG  62  -0.484   3.923   4.232
   38    HE   ARG  62           HE       ARG  62  -2.003   2.925   5.671
   39   1HH1  ARG  62          1HH2      ARG  62  -3.709   2.037   3.422
   40   2HH1  ARG  62          2HH2      ARG  62  -3.908   0.348   3.744
   41   1HH2  ARG  62          2HH1      ARG  62  -1.160   0.276   5.928
   42   2HH2  ARG  62          1HH1      ARG  62  -2.409  -0.684   5.217
   43    H    ILE  63           H        ILE  63   1.113   5.050  -0.995
   44    HA   ILE  63           HA       ILE  63  -0.200   7.512  -1.073
   45    HB   ILE  63           HB       ILE  63   2.201   6.258  -2.354
   46   1HG1  ILE  63          2HG1      ILE  63   1.486   7.800   0.118
   47   2HG1  ILE  63          1HG1      ILE  63   2.722   6.603  -0.141
   48   1HG2  ILE  63          1HG2      ILE  63   1.326   9.115  -2.691
   49   2HG2  ILE  63          3HG2      ILE  63   2.897   8.434  -3.155
   50   3HG2  ILE  63          2HG2      ILE  63   1.435   7.886  -3.955
   51   1HD1  ILE  63          2HD1      ILE  63   4.120   8.287  -1.254
   52   2HD1  ILE  63          1HD1      ILE  63   2.846   9.486  -1.002
   53   3HD1  ILE  63          3HD1      ILE  63   3.656   8.769   0.383
   54    H    LEU  64           H        LEU  64   0.258   5.021  -3.614
   55    HA   LEU  64           HA       LEU  64  -1.151   6.573  -5.618
   56   1HB   LEU  64          2HB       LEU  64  -0.870   3.536  -5.570
   57   2HB   LEU  64          1HB       LEU  64  -1.181   4.538  -6.962
   58    HG   LEU  64           HG       LEU  64   1.402   4.512  -5.334
   59   1HD1  LEU  64          2HD1      LEU  64   0.739   3.551  -8.153
   60   2HD1  LEU  64          1HD1      LEU  64   2.339   3.541  -7.439
   61   3HD1  LEU  64          3HD1      LEU  64   1.083   2.526  -6.770
   62   1HD2  LEU  64          3HD2      LEU  64   0.716   6.103  -7.862
   63   2HD2  LEU  64          2HD2      LEU  64   0.934   6.802  -6.266
   64   3HD2  LEU  64          1HD2      LEU  64   2.286   6.053  -7.083
   65    H    GLN  65           H        GLN  65  -2.098   4.283  -3.265
   66    HA   GLN  65           HA       GLN  65  -4.629   3.501  -4.134
   67   1HB   GLN  65          2HB       GLN  65  -3.436   3.934  -1.366
   68   2HB   GLN  65          1HB       GLN  65  -5.005   3.218  -1.606
   69   1HG   GLN  65          2HG       GLN  65  -3.041   1.515  -1.442
   70   2HG   GLN  65          1HG       GLN  65  -4.143   1.303  -2.778
   71   1HE2  GLN  65          2HE2      GLN  65  -0.381   2.705  -3.683
   72   2HE2  GLN  65          1HE2      GLN  65  -1.050   3.107  -2.180
   73    H    GLN  66           H        GLN  66  -3.722   6.653  -2.929
   74    HA   GLN  66           HA       GLN  66  -6.382   7.413  -2.181
   75   1HB   GLN  66          2HB       GLN  66  -3.901   9.007  -2.933
   76   2HB   GLN  66          1HB       GLN  66  -5.353   9.663  -2.233
   77   1HG   GLN  66          2HG       GLN  66  -5.034   7.967  -0.290
   78   2HG   GLN  66          1HG       GLN  66  -3.419   7.691  -0.932
   79   1HE2  GLN  66          2HE2      GLN  66  -2.356  11.033  -0.031
   80   2HE2  GLN  66          1HE2      GLN  66  -2.066   9.833  -1.209
   81    H    LEU  67           H        LEU  67  -4.538   7.431  -5.121
   82    HA   LEU  67           HA       LEU  67  -6.403   9.125  -6.592
   83   1HB   LEU  67          2HB       LEU  67  -4.171   7.320  -7.599
   84   2HB   LEU  67          1HB       LEU  67  -5.140   8.378  -8.601
   85    HG   LEU  67           HG       LEU  67  -4.418  10.247  -6.848
   86   1HD1  LEU  67          3HD1      LEU  67  -2.150   8.245  -6.553
   87   2HD1  LEU  67          2HD1      LEU  67  -2.126   9.899  -5.974
   88   3HD1  LEU  67          1HD1      LEU  67  -3.225   8.750  -5.263
   89   1HD2  LEU  67          2HD2      LEU  67  -2.535   9.183  -8.987
   90   2HD2  LEU  67          1HD2      LEU  67  -3.874  10.298  -9.235
   91   3HD2  LEU  67          3HD2      LEU  67  -2.485  10.794  -8.283
   92    H    LEU  68           H        LEU  68  -5.531   5.784  -6.306
   93    HA   LEU  68           HA       LEU  68  -7.537   4.771  -8.134
   94   1HB   LEU  68          2HB       LEU  68  -6.470   3.281  -5.659
   95   2HB   LEU  68          1HB       LEU  68  -7.035   2.550  -7.143
   96    HG   LEU  68           HG       LEU  68  -4.494   4.196  -6.811
   97   1HD1  LEU  68          2HD1      LEU  68  -4.317   1.912  -5.860
   98   2HD1  LEU  68          1HD1      LEU  68  -4.885   1.227  -7.371
   99   3HD1  LEU  68          3HD1      LEU  68  -3.335   2.050  -7.298
  100   1HD2  LEU  68          3HD2      LEU  68  -5.566   2.794  -9.300
  101   2HD2  LEU  68          2HD2      LEU  68  -5.458   4.533  -9.079
  102   3HD2  LEU  68          1HD2      LEU  68  -3.999   3.573  -9.176
  103    H    PHE  69           H        PHE  69  -7.450   5.592  -4.827
  104    HA   PHE  69           HA       PHE  69  -9.939   4.516  -3.957
  105   1HB   PHE  69          2HB       PHE  69  -8.383   5.666  -2.348
  106   2HB   PHE  69          1HB       PHE  69  -8.651   7.190  -3.159
  107    HD1  PHE  69           HD2      PHE  69 -10.214   4.635  -1.002
  108    HD2  PHE  69           HD1      PHE  69 -10.637   8.497  -2.746
  109    HE1  PHE  69           HE2      PHE  69 -12.101   5.110   0.497
  110    HE2  PHE  69           HE1      PHE  69 -12.526   8.971  -1.246
  111    HZ   PHE  69           HZ       PHE  69 -13.254   7.279   0.381
  112    H    ILE  70           H        ILE  70  -9.192   7.657  -5.215
  113    HA   ILE  70           HA       ILE  70 -11.836   8.587  -5.614
  114    HB   ILE  70           HB       ILE  70  -9.265   9.371  -6.881
  115   1HG1  ILE  70          2HG1      ILE  70 -11.016  10.115  -4.469
  116   2HG1  ILE  70          1HG1      ILE  70  -9.310   9.712  -4.488
  117   1HG2  ILE  70          3HG2      ILE  70 -11.202  10.025  -8.366
  118   2HG2  ILE  70          2HG2      ILE  70 -11.985  10.774  -6.984
  119   3HG2  ILE  70          1HG2      ILE  70 -10.473  11.422  -7.614
  120   1HD1  ILE  70          3HD1      ILE  70  -8.851  11.780  -5.679
  121   2HD1  ILE  70          2HD1      ILE  70 -10.580  12.174  -5.609
  122   3HD1  ILE  70          1HD1      ILE  70  -9.657  12.041  -4.116
  123    H    HIS  71           H        HIS  71  -9.706   6.933  -7.828
  124    HA   HIS  71           HA       HIS  71 -11.516   7.137 -10.082
  125   1HB   HIS  71          2HB       HIS  71  -9.246   5.149  -9.593
  126   2HB   HIS  71          1HB       HIS  71 -10.024   5.431 -11.145
  127    HD1  HIS  71           HD1      HIS  71  -6.993   6.045 -10.671
  128    HD2  HIS  71           HD2      HIS  71 -10.071   8.836 -10.455
  129    HE1  HIS  71           HE1      HIS  71  -6.062   8.316 -11.062
  130    H    PHE  72           H        PHE  72 -11.194   4.779  -7.520
  131    HA   PHE  72           HA       PHE  72 -13.034   2.924  -8.847
  132   1HB   PHE  72          2HB       PHE  72 -11.063   2.202  -7.364
  133   2HB   PHE  72          1HB       PHE  72 -11.923   2.870  -5.996
  134    HD1  PHE  72           HD2      PHE  72 -14.154   1.842  -5.296
  135    HD2  PHE  72           HD1      PHE  72 -11.682   0.069  -8.285
  136    HE1  PHE  72           HE2      PHE  72 -15.354  -0.276  -5.044
  137    HE2  PHE  72           HE1      PHE  72 -12.889  -2.044  -8.029
  138    HZ   PHE  72           HZ       PHE  72 -14.731  -2.233  -6.409
  139    H    ARG  73           H        ARG  73 -12.859   5.297  -6.345
  140    HA   ARG  73           HA       ARG  73 -15.392   4.842  -5.216
  141   1HB   ARG  73          2HB       ARG  73 -13.489   6.489  -4.318
  142   2HB   ARG  73          1HB       ARG  73 -14.181   7.666  -5.397
  143   1HG   ARG  73          2HG       ARG  73 -15.137   7.982  -3.205
  144   2HG   ARG  73          1HG       ARG  73 -16.399   7.264  -4.188
  145   1HD   ARG  73          2HD       ARG  73 -16.140   6.178  -1.897
  146   2HD   ARG  73          1HD       ARG  73 -15.953   5.024  -3.208
  147    HE   ARG  73           HE       ARG  73 -13.594   6.310  -1.866
  148   1HH1  ARG  73          2HH1      ARG  73 -12.611   4.778  -3.963
  149   2HH1  ARG  73          1HH1      ARG  73 -12.481   3.159  -3.370
  150   1HH2  ARG  73          1HH2      ARG  73 -14.631   3.806  -0.666
  151   2HH2  ARG  73          2HH2      ARG  73 -13.655   2.588  -1.414
  152    H    ILE  74           H        ILE  74 -14.386   7.484  -7.340
  153    HA   ILE  74           HA       ILE  74 -17.002   8.239  -8.170
  154    HB   ILE  74           HB       ILE  74 -14.317   8.489  -9.643
  155   1HG1  ILE  74          2HG1      ILE  74 -15.811  10.411  -7.788
  156   2HG1  ILE  74          1HG1      ILE  74 -14.334   9.559  -7.407
  157   1HG2  ILE  74          1HG2      ILE  74 -16.269   8.796 -11.186
  158   2HG2  ILE  74          3HG2      ILE  74 -16.932  10.013 -10.112
  159   3HG2  ILE  74          2HG2      ILE  74 -15.423  10.306 -10.961
  160   1HD1  ILE  74          2HD1      ILE  74 -13.146  10.759  -9.242
  161   2HD1  ILE  74          1HD1      ILE  74 -14.612  11.659  -9.596
  162   3HD1  ILE  74          3HD1      ILE  74 -13.816  11.866  -8.055
  163    H    GLY  75           H        GLY  75 -14.646   6.027  -9.601
  164   1HA   GLY  75          2HA       GLY  75 -15.952   5.283 -11.941
  165   2HA   GLY  75          1HA       GLY  75 -15.000   4.155 -10.983
  166    H    CYS  76           H        CYS  76 -16.444   3.694  -8.771
  167    HA   CYS  76           HA       CYS  76 -18.622   2.167  -9.855
  168   1HB   CYS  76          2HB       CYS  76 -17.755   2.702  -6.997
  169   2HB   CYS  76          1HB       CYS  76 -18.976   1.525  -7.388
  170    HG   CYS  76           HG       CYS  76 -17.205  -0.085  -8.176
  171    H    ARG  77           H        ARG  77 -18.604   5.213  -9.143
  172    HA   ARG  77           HA       ARG  77 -21.381   5.309  -8.076
  173   1HB   ARG  77          2HB       ARG  77 -19.419   7.541  -8.780
  174   2HB   ARG  77          1HB       ARG  77 -21.056   7.860  -8.277
  175   1HG   ARG  77          2HG       ARG  77 -19.101   6.258  -6.581
  176   2HG   ARG  77          1HG       ARG  77 -19.300   7.990  -6.421
  177   1HD   ARG  77          2HD       ARG  77 -20.715   7.074  -4.735
  178   2HD   ARG  77          1HD       ARG  77 -21.832   7.435  -6.043
  179    HE   ARG  77           HE       ARG  77 -20.702   4.688  -5.688
  180   1HH1  ARG  77          1HH2      ARG  77 -23.261   6.375  -4.610
  181   2HH1  ARG  77          2HH2      ARG  77 -24.511   5.429  -5.342
  182   1HH2  ARG  77          2HH1      ARG  77 -22.222   3.637  -7.331
  183   2HH2  ARG  77          1HH1      ARG  77 -23.894   3.834  -6.936
  184    H    HIS  78           H        HIS  78 -19.869   5.441 -11.115
  185    HA   HIS  78           HA       HIS  78 -22.004   6.901 -12.439
  186   1HB   HIS  78          2HB       HIS  78 -20.651   6.651 -14.307
  187   2HB   HIS  78          1HB       HIS  78 -19.474   5.942 -13.228
  188    HD1  HIS  78           HD1      HIS  78 -21.765   5.083 -15.960
  189    HD2  HIS  78           HD2      HIS  78 -19.418   3.133 -13.121
  190    HE1  HIS  78           HE1      HIS  78 -21.517   2.682 -16.618
  191    H    SER  79           H        SER  79 -21.407   3.513 -11.777
  192    HA   SER  79           HA       SER  79 -24.219   2.844 -11.740
  193   1HB   SER  79          2HB       SER  79 -23.925   3.021 -14.255
  194   2HB   SER  79          1HB       SER  79 -22.677   1.770 -14.180
  195    HG   SER  79           HG       SER  79 -24.244   0.423 -13.159
  196    H    ARG  80           H        ARG  80 -21.889   2.443 -10.075
  197    HA   ARG  80           HA       ARG  80 -20.722   0.878  -8.924
  198   1HB   ARG  80          2HB       ARG  80 -23.018   0.723  -8.010
  199   2HB   ARG  80          1HB       ARG  80 -23.446  -0.479  -9.205
  200   1HG   ARG  80          2HG       ARG  80 -22.929  -1.402  -6.902
  201   2HG   ARG  80          1HG       ARG  80 -22.023  -2.153  -8.179
  202   1HD   ARG  80          2HD       ARG  80 -20.062  -0.620  -7.593
  203   2HD   ARG  80          1HD       ARG  80 -21.014  -0.036  -6.227
  204    HE   ARG  80           HE       ARG  80 -20.786  -2.947  -6.335
  205   1HH1  ARG  80          1HH2      ARG  80 -20.918  -2.445  -3.771
  206   2HH1  ARG  80          2HH2      ARG  80 -19.343  -2.096  -3.156
  207   1HH2  ARG  80          2HH1      ARG  80 -18.065  -1.381  -6.341
  208   2HH2  ARG  80          1HH1      ARG  80 -17.679  -1.464  -4.663
  209    H    ILE  81           H        ILE  81 -19.539   0.611 -10.991
  210    HA   ILE  81           HA       ILE  81 -19.681  -1.750 -12.515
  211    HB   ILE  81           HB       ILE  81 -17.301   0.039 -11.740
  212   1HG1  ILE  81          2HG1      ILE  81 -19.130   1.057 -13.099
  213   2HG1  ILE  81          1HG1      ILE  81 -17.589   1.085 -13.926
  214   1HG2  ILE  81          3HG2      ILE  81 -17.235  -2.115 -13.902
  215   2HG2  ILE  81          2HG2      ILE  81 -16.002  -0.899 -13.638
  216   3HG2  ILE  81          1HG2      ILE  81 -16.303  -2.118 -12.424
  217   1HD1  ILE  81          3HD1      ILE  81 -18.298  -0.940 -15.251
  218   2HD1  ILE  81          2HD1      ILE  81 -19.859  -0.910 -14.440
  219   3HD1  ILE  81          1HD1      ILE  81 -19.380   0.402 -15.494
  220    H    GLY  82           H        GLY  82 -18.980  -1.520  -9.317
  221   1HA   GLY  82          2HA       GLY  82 -17.043  -3.543  -8.833
  222   2HA   GLY  82          1HA       GLY  82 -18.417  -3.276  -7.740
  223    H    VAL  83           H        VAL  83 -20.322  -3.689  -9.805
  224    HA   VAL  83           HA       VAL  83 -20.702  -6.534  -9.638
  225    HB   VAL  83           HB       VAL  83 -22.183  -4.223 -10.989
  226   1HG1  VAL  83          2HG1      VAL  83 -23.232  -7.038 -10.418
  227   2HG1  VAL  83          1HG1      VAL  83 -24.192  -5.680 -10.989
  228   3HG1  VAL  83          3HG1      VAL  83 -22.954  -6.362 -12.013
  229   1HG2  VAL  83          2HG2      VAL  83 -21.991  -4.139  -8.483
  230   2HG2  VAL  83          1HG2      VAL  83 -23.656  -4.409  -8.961
  231   3HG2  VAL  83          3HG2      VAL  83 -22.678  -5.745  -8.373
  232    H    THR  84           H        THR  84 -18.430  -5.286 -11.376
  233    HA   THR  84           HA       THR  84 -18.912  -5.912 -14.119
  234    HB   THR  84           HB       THR  84 -16.236  -6.286 -12.581
  235    HG1  THR  84           HG1      THR  84 -17.542  -4.099 -12.989
  236   1HG2  THR  84          2HG2      THR  84 -16.753  -5.730 -15.557
  237   2HG2  THR  84          1HG2      THR  84 -15.185  -5.936 -14.797
  238   3HG2  THR  84          3HG2      THR  84 -16.273  -7.307 -14.952
  239    H    ARG  85           H        ARG  85 -18.431  -7.811 -11.377
  240    HA   ARG  85           HA       ARG  85 -17.931 -10.128 -11.060
  241   1HB   ARG  85          2HB       ARG  85 -20.332  -9.568 -10.710
  242   2HB   ARG  85          1HB       ARG  85 -20.673 -10.026 -12.368
  243   1HG   ARG  85          2HG       ARG  85 -19.857 -12.355 -11.881
  244   2HG   ARG  85          1HG       ARG  85 -19.496 -11.875 -10.234
  245   1HD   ARG  85          2HD       ARG  85 -21.923 -11.367  -9.873
  246   2HD   ARG  85          1HD       ARG  85 -22.260 -11.876 -11.526
  247    HE   ARG  85           HE       ARG  85 -21.131 -13.702  -9.430
  248   1HH1  ARG  85          2HH1      ARG  85 -20.891 -14.784 -12.090
  249   2HH1  ARG  85          1HH1      ARG  85 -22.369 -15.648 -12.336
  250   1HH2  ARG  85          1HH2      ARG  85 -23.977 -13.947  -9.711
  251   2HH2  ARG  85          2HH2      ARG  85 -24.195 -15.157 -10.927
  252    H    GLN  86           HN       GLN  86 -16.231 -10.567 -12.490
  253    HA   GLN  86           HA       GLN  86 -16.395 -11.295 -15.194
  254   1HB   GLN  86          2HB       GLN  86 -14.241 -12.536 -14.750
  255   2HB   GLN  86          1HB       GLN  86 -14.240 -10.935 -14.042
  256   1HG   GLN  86          2HG       GLN  86 -14.978 -12.057 -11.812
  257   2HG   GLN  86          1HG       GLN  86 -14.714 -13.598 -12.608
  258   1HE2  GLN  86          2HE2      GLN  86 -11.534 -11.519 -11.313
  259   2HE2  GLN  86          1HE2      GLN  86 -13.102 -10.887 -11.120
   
  No H/Q in entry =         259
  Start of MODEL   15
    1   1H    ALA  59          3H        ALA  59   2.265   4.720   2.167
    2   2H    ALA  59          2H        ALA  59   2.828   3.709   3.408
    3   3H    ALA  59          1H        ALA  59   3.473   5.270   3.225
    4    HA   ALA  59           HA       ALA  59   5.013   4.526   1.845
    5   1HB   ALA  59          3HB       ALA  59   3.578   1.838   2.147
    6   2HB   ALA  59          2HB       ALA  59   5.195   2.028   1.497
    7   3HB   ALA  59          1HB       ALA  59   4.879   2.415   3.180
    8    H    ILE  60           H        ILE  60   5.344   3.410  -0.384
    9    HA   ILE  60           HA       ILE  60   3.771   4.680  -2.345
   10    HB   ILE  60           HB       ILE  60   5.437   2.098  -2.480
   11   1HG1  ILE  60          2HG1      ILE  60   7.106   3.547  -3.695
   12   2HG1  ILE  60          1HG1      ILE  60   6.088   4.934  -3.407
   13   1HG2  ILE  60          3HG2      ILE  60   4.349   3.676  -4.851
   14   2HG2  ILE  60          2HG2      ILE  60   5.467   2.333  -4.942
   15   3HG2  ILE  60          1HG2      ILE  60   3.837   2.064  -4.378
   16   1HD1  ILE  60          1HD1      ILE  60   7.417   3.270  -1.217
   17   2HD1  ILE  60          3HD1      ILE  60   7.981   4.813  -1.823
   18   3HD1  ILE  60          2HD1      ILE  60   6.473   4.744  -0.960
   19    H    ILE  61           H        ILE  61   3.357   1.399  -1.113
   20    HA   ILE  61           HA       ILE  61   1.134   0.989  -2.813
   21    HB   ILE  61           HB       ILE  61   0.787  -0.851  -0.751
   22   1HG1  ILE  61          2HG1      ILE  61   2.819   0.160   0.430
   23   2HG1  ILE  61          1HG1      ILE  61   2.692  -1.562   0.219
   24   1HG2  ILE  61          3HG2      ILE  61   2.640  -1.116  -3.142
   25   2HG2  ILE  61          2HG2      ILE  61   2.026  -2.461  -2.190
   26   3HG2  ILE  61          1HG2      ILE  61   0.918  -1.448  -3.098
   27   1HD1  ILE  61          1HD1      ILE  61   4.431   0.151  -1.653
   28   2HD1  ILE  61          3HD1      ILE  61   5.014  -0.744  -0.265
   29   3HD1  ILE  61          2HD1      ILE  61   4.290  -1.582  -1.613
   30    H    ARG  62           H        ARG  62   1.075   3.244  -0.822
   31    HA   ARG  62           HA       ARG  62  -1.769   2.924  -0.140
   32   1HB   ARG  62          2HB       ARG  62   0.451   4.106   1.662
   33   2HB   ARG  62          1HB       ARG  62  -1.250   4.197   2.062
   34   1HG   ARG  62          2HG       ARG  62   0.287   1.586   1.722
   35   2HG   ARG  62          1HG       ARG  62  -0.027   2.357   3.263
   36   1HD   ARG  62          2HD       ARG  62  -2.460   2.177   2.905
   37   2HD   ARG  62          1HD       ARG  62  -2.203   1.459   1.315
   38    HE   ARG  62           HE       ARG  62  -0.776  -0.113   3.171
   39   1HH1  ARG  62          2HH1      ARG  62  -3.220  -0.470   1.201
   40   2HH1  ARG  62          1HH1      ARG  62  -4.322  -1.308   2.238
   41   1HH2  ARG  62          1HH2      ARG  62  -2.438  -0.563   5.116
   42   2HH2  ARG  62          2HH2      ARG  62  -3.849  -1.360   4.532
   43    H    ILE  63           H        ILE  63   0.929   5.125  -0.530
   44    HA   ILE  63           HA       ILE  63  -0.599   7.403  -0.691
   45    HB   ILE  63           HB       ILE  63   2.027   6.490  -1.799
   46   1HG1  ILE  63          2HG1      ILE  63   0.884   7.760   0.697
   47   2HG1  ILE  63          1HG1      ILE  63   2.184   6.615   0.523
   48   1HG2  ILE  63          2HG2      ILE  63   0.862   9.268  -1.898
   49   2HG2  ILE  63          1HG2      ILE  63   2.529   8.811  -2.296
   50   3HG2  ILE  63          3HG2      ILE  63   1.200   8.231  -3.285
   51   1HD1  ILE  63          3HD1      ILE  63   3.652   8.401  -0.277
   52   2HD1  ILE  63          2HD1      ILE  63   2.323   9.554  -0.109
   53   3HD1  ILE  63          1HD1      ILE  63   2.970   8.759   1.318
   54    H    LEU  64           H        LEU  64   0.448   5.257  -3.376
   55    HA   LEU  64           HA       LEU  64  -0.996   6.839  -5.333
   56   1HB   LEU  64          2HB       LEU  64   0.056   3.963  -5.466
   57   2HB   LEU  64          1HB       LEU  64  -0.656   4.782  -6.823
   58    HG   LEU  64           HG       LEU  64   1.776   4.891  -7.005
   59   1HD1  LEU  64          2HD1      LEU  64   0.538   6.837  -7.874
   60   2HD1  LEU  64          1HD1      LEU  64   0.653   7.647  -6.319
   61   3HD1  LEU  64          3HD1      LEU  64   2.098   7.328  -7.253
   62   1HD2  LEU  64          1HD2      LEU  64   2.411   4.738  -4.634
   63   2HD2  LEU  64          3HD2      LEU  64   3.190   6.095  -5.415
   64   3HD2  LEU  64          2HD2      LEU  64   1.838   6.380  -4.349
   65    H    GLN  65           H        GLN  65  -1.941   4.329  -3.219
   66    HA   GLN  65           HA       GLN  65  -4.263   3.422  -4.652
   67   1HB   GLN  65          2HB       GLN  65  -3.405   3.397  -1.727
   68   2HB   GLN  65          1HB       GLN  65  -4.878   2.663  -2.277
   69   1HG   GLN  65          2HG       GLN  65  -2.829   1.053  -2.156
   70   2HG   GLN  65          1HG       GLN  65  -3.701   1.054  -3.670
   71   1HE2  GLN  65          2HE2      GLN  65  -0.010   2.882  -3.674
   72   2HE2  GLN  65          1HE2      GLN  65  -0.959   3.043  -2.284
   73    H    GLN  66           H        GLN  66  -3.729   6.346  -3.034
   74    HA   GLN  66           HA       GLN  66  -6.476   6.795  -2.317
   75   1HB   GLN  66          2HB       GLN  66  -4.093   8.610  -2.660
   76   2HB   GLN  66          1HB       GLN  66  -5.645   9.106  -2.063
   77   1HG   GLN  66          2HG       GLN  66  -5.395   7.266  -0.238
   78   2HG   GLN  66          1HG       GLN  66  -3.709   7.160  -0.742
   79   1HE2  GLN  66          2HE2      GLN  66  -3.121  10.623   0.213
   80   2HE2  GLN  66          1HE2      GLN  66  -2.714   9.553  -1.051
   81    H    LEU  67           H        LEU  67  -4.484   7.489  -5.054
   82    HA   LEU  67           HA       LEU  67  -6.305   9.327  -6.371
   83   1HB   LEU  67          2HB       LEU  67  -4.008   7.691  -7.391
   84   2HB   LEU  67          1HB       LEU  67  -4.975   8.731  -8.425
   85    HG   LEU  67           HG       LEU  67  -3.618   9.706  -5.855
   86   1HD1  LEU  67          3HD1      LEU  67  -2.872  10.017  -8.764
   87   2HD1  LEU  67          2HD1      LEU  67  -2.054  10.772  -7.392
   88   3HD1  LEU  67          1HD1      LEU  67  -2.031   9.019  -7.577
   89   1HD2  LEU  67          3HD2      LEU  67  -4.909  11.265  -8.171
   90   2HD2  LEU  67          2HD2      LEU  67  -5.599  11.148  -6.570
   91   3HD2  LEU  67          1HD2      LEU  67  -4.090  11.977  -6.793
   92    H    LEU  68           H        LEU  68  -5.535   5.965  -6.506
   93    HA   LEU  68           HA       LEU  68  -7.574   5.310  -8.472
   94   1HB   LEU  68          2HB       LEU  68  -6.408   3.427  -6.330
   95   2HB   LEU  68          1HB       LEU  68  -7.057   2.949  -7.880
   96    HG   LEU  68           HG       LEU  68  -4.480   4.529  -7.421
   97   1HD1  LEU  68          2HD1      LEU  68  -4.954   1.687  -8.412
   98   2HD1  LEU  68          1HD1      LEU  68  -3.388   2.475  -8.311
   99   3HD1  LEU  68          3HD1      LEU  68  -4.290   2.131  -6.850
  100   1HD2  LEU  68          3HD2      LEU  68  -5.689   3.530 -10.052
  101   2HD2  LEU  68          2HD2      LEU  68  -5.579   5.214  -9.563
  102   3HD2  LEU  68          1HD2      LEU  68  -4.122   4.298  -9.877
  103    H    PHE  69           H        PHE  69  -7.293   5.427  -5.006
  104    HA   PHE  69           HA       PHE  69  -9.802   4.280  -4.336
  105   1HB   PHE  69          2HB       PHE  69  -8.274   5.134  -2.506
  106   2HB   PHE  69          1HB       PHE  69  -8.597   6.786  -3.014
  107    HD1  PHE  69           HD2      PHE  69 -10.380   3.700  -1.862
  108    HD2  PHE  69           HD1      PHE  69 -10.407   7.959  -2.098
  109    HE1  PHE  69           HE2      PHE  69 -12.402   3.779  -0.466
  110    HE2  PHE  69           HE1      PHE  69 -12.416   8.024  -0.701
  111    HZ   PHE  69           HZ       PHE  69 -13.420   5.935   0.112
  112    H    ILE  70           H        ILE  70  -9.060   7.530  -5.298
  113    HA   ILE  70           HA       ILE  70 -11.818   8.361  -5.335
  114    HB   ILE  70           HB       ILE  70  -9.337   9.617  -6.468
  115   1HG1  ILE  70          2HG1      ILE  70 -10.801   9.463  -3.828
  116   2HG1  ILE  70          1HG1      ILE  70  -9.106   9.646  -4.159
  117   1HG2  ILE  70          2HG2      ILE  70 -12.142  10.783  -6.162
  118   2HG2  ILE  70          1HG2      ILE  70 -10.716  11.680  -6.667
  119   3HG2  ILE  70          3HG2      ILE  70 -11.361  10.425  -7.694
  120   1HD1  ILE  70          2HD1      ILE  70  -9.478  12.025  -4.712
  121   2HD1  ILE  70          1HD1      ILE  70 -11.204  11.802  -4.388
  122   3HD1  ILE  70          3HD1      ILE  70 -10.039  11.621  -3.084
  123    H    HIS  71           H        HIS  71  -9.595   7.536  -7.893
  124    HA   HIS  71           HA       HIS  71 -11.514   7.963 -10.021
  125   1HB   HIS  71          2HB       HIS  71  -9.010   6.222 -10.060
  126   2HB   HIS  71          1HB       HIS  71  -9.878   6.813 -11.472
  127    HD1  HIS  71           HD1      HIS  71  -6.993   7.640 -11.155
  128    HD2  HIS  71           HD2      HIS  71 -10.166   9.837  -9.610
  129    HE1  HIS  71           HE1      HIS  71  -6.268  10.005 -10.835
  130    H    PHE  72           H        PHE  72 -11.086   5.371  -7.837
  131    HA   PHE  72           HA       PHE  72 -12.562   3.504  -9.555
  132   1HB   PHE  72          2HB       PHE  72 -11.184   3.118  -6.850
  133   2HB   PHE  72          1HB       PHE  72 -12.109   1.884  -7.662
  134    HD1  PHE  72           HD2      PHE  72  -9.917   4.053  -9.770
  135    HD2  PHE  72           HD1      PHE  72 -10.198   0.410  -7.569
  136    HE1  PHE  72           HE2      PHE  72  -7.931   3.214 -10.904
  137    HE2  PHE  72           HE1      PHE  72  -8.200  -0.417  -8.708
  138    HZ   PHE  72           HZ       PHE  72  -7.057   0.973 -10.380
  139    H    ARG  73           H        ARG  73 -12.626   5.056  -6.331
  140    HA   ARG  73           HA       ARG  73 -15.168   3.965  -5.776
  141   1HB   ARG  73          2HB       ARG  73 -13.583   5.086  -4.033
  142   2HB   ARG  73          1HB       ARG  73 -14.136   6.641  -4.640
  143   1HG   ARG  73          2HG       ARG  73 -15.503   6.073  -2.700
  144   2HG   ARG  73          1HG       ARG  73 -16.530   5.849  -4.101
  145   1HD   ARG  73          2HD       ARG  73 -15.831   3.329  -4.038
  146   2HD   ARG  73          1HD       ARG  73 -15.134   3.695  -2.470
  147    HE   ARG  73           HE       ARG  73 -17.812   4.644  -2.483
  148   1HH1  ARG  73          1HH2      ARG  73 -16.412   2.739  -0.570
  149   2HH1  ARG  73          2HH2      ARG  73 -17.386   1.318  -0.714
  150   1HH2  ARG  73          2HH1      ARG  73 -18.891   2.425  -3.677
  151   2HH2  ARG  73          1HH1      ARG  73 -18.814   1.131  -2.531
  152    H    ILE  74           H        ILE  74 -14.174   6.994  -7.314
  153    HA   ILE  74           HA       ILE  74 -16.922   7.922  -7.568
  154    HB   ILE  74           HB       ILE  74 -14.358   8.683  -9.097
  155   1HG1  ILE  74          2HG1      ILE  74 -15.935   9.976  -6.812
  156   2HG1  ILE  74          1HG1      ILE  74 -14.344   9.264  -6.691
  157   1HG2  ILE  74          3HG2      ILE  74 -16.385   9.167 -10.495
  158   2HG2  ILE  74          2HG2      ILE  74 -17.081  10.074  -9.170
  159   3HG2  ILE  74          1HG2      ILE  74 -15.628  10.649  -9.968
  160   1HD1  ILE  74          3HD1      ILE  74 -13.453  11.049  -8.231
  161   2HD1  ILE  74          2HD1      ILE  74 -15.049  11.779  -8.287
  162   3HD1  ILE  74          1HD1      ILE  74 -14.172  11.720  -6.779
  163    H    GLY  75           H        GLY  75 -14.654   6.030  -9.517
  164   1HA   GLY  75          2HA       GLY  75 -16.155   5.776 -11.889
  165   2HA   GLY  75          1HA       GLY  75 -15.087   4.509 -11.268
  166    H    CYS  76           H        CYS  76 -16.344   3.904  -8.906
  167    HA   CYS  76           HA       CYS  76 -18.386   2.155  -9.775
  168   1HB   CYS  76          2HB       CYS  76 -17.770   3.141  -6.953
  169   2HB   CYS  76          1HB       CYS  76 -18.753   1.742  -7.298
  170    HG   CYS  76           HG       CYS  76 -16.712   0.362  -7.696
  171    H    ARG  77           H        ARG  77 -18.693   5.247  -9.406
  172    HA   ARG  77           HA       ARG  77 -21.503   5.285  -8.445
  173   1HB   ARG  77          2HB       ARG  77 -19.718   7.548  -9.426
  174   2HB   ARG  77          1HB       ARG  77 -21.370   7.713  -8.924
  175   1HG   ARG  77          2HG       ARG  77 -20.768   6.701  -6.675
  176   2HG   ARG  77          1HG       ARG  77 -19.098   6.598  -7.202
  177   1HD   ARG  77          2HD       ARG  77 -18.987   9.063  -7.417
  178   2HD   ARG  77          1HD       ARG  77 -20.679   9.187  -6.937
  179    HE   ARG  77           HE       ARG  77 -20.045   8.351  -4.713
  180   1HH1  ARG  77          1HH2      ARG  77 -17.512   6.986  -5.550
  181   2HH1  ARG  77          2HH2      ARG  77 -16.297   8.044  -4.919
  182   1HH2  ARG  77          2HH1      ARG  77 -18.556  10.683  -4.507
  183   2HH2  ARG  77          1HH1      ARG  77 -16.902  10.206  -4.334
  184    H    HIS  78           H        HIS  78 -19.858   4.910 -11.301
  185    HA   HIS  78           HA       HIS  78 -21.435   6.134 -13.275
  186   1HB   HIS  78          2HB       HIS  78 -20.385   4.644 -14.794
  187   2HB   HIS  78          1HB       HIS  78 -19.251   4.609 -13.476
  188    HD1  HIS  78           HD1      HIS  78 -21.778   2.532 -15.165
  189    HD2  HIS  78           HD2      HIS  78 -19.147   2.250 -11.964
  190    HE1  HIS  78           HE1      HIS  78 -21.624   0.128 -14.427
  191    H    SER  79           H        SER  79 -21.894   3.322 -11.450
  192    HA   SER  79           HA       SER  79 -24.689   3.201 -11.321
  193   1HB   SER  79          2HB       SER  79 -24.727   2.854 -13.815
  194   2HB   SER  79          1HB       SER  79 -23.602   1.517 -13.667
  195    HG   SER  79           HG       SER  79 -25.481   0.794 -12.101
  196    H    ARG  80           H        ARG  80 -22.223   2.550  -9.889
  197    HA   ARG  80           HA       ARG  80 -21.219   0.865  -8.611
  198   1HB   ARG  80          2HB       ARG  80 -23.359   1.822  -7.528
  199   2HB   ARG  80          1HB       ARG  80 -24.135   0.313  -7.977
  200   1HG   ARG  80          2HG       ARG  80 -22.524  -0.968  -6.642
  201   2HG   ARG  80          1HG       ARG  80 -21.561   0.469  -6.348
  202   1HD   ARG  80          2HD       ARG  80 -23.507   1.486  -5.140
  203   2HD   ARG  80          1HD       ARG  80 -24.411  -0.013  -5.387
  204    HE   ARG  80           HE       ARG  80 -21.778   0.011  -3.969
  205   1HH1  ARG  80          2HH1      ARG  80 -23.691  -2.321  -4.663
  206   2HH1  ARG  80          1HH1      ARG  80 -24.341  -2.684  -3.099
  207   1HH2  ARG  80          1HH2      ARG  80 -23.179   0.373  -1.770
  208   2HH2  ARG  80          2HH2      ARG  80 -24.043  -1.075  -1.383
  209    H    ILE  81           H        ILE  81 -21.364   0.030 -11.128
  210    HA   ILE  81           HA       ILE  81 -21.137  -1.752 -12.514
  211    HB   ILE  81           HB       ILE  81 -20.959  -3.124  -9.820
  212   1HG1  ILE  81          2HG1      ILE  81 -19.403  -1.182 -10.051
  213   2HG1  ILE  81          1HG1      ILE  81 -18.549  -2.682  -9.872
  214   1HG2  ILE  81          3HG2      ILE  81 -19.888  -4.065 -12.500
  215   2HG2  ILE  81          2HG2      ILE  81 -19.502  -4.816 -10.954
  216   3HG2  ILE  81          1HG2      ILE  81 -21.147  -4.830 -11.555
  217   1HD1  ILE  81          2HD1      ILE  81 -19.012  -1.249 -12.540
  218   2HD1  ILE  81          1HD1      ILE  81 -17.522  -1.252 -11.624
  219   3HD1  ILE  81          3HD1      ILE  81 -18.117  -2.740 -12.330
  220    H    GLY  82           H        GLY  82 -23.771  -1.658 -10.619
  221   1HA   GLY  82          2HA       GLY  82 -25.320  -3.917 -10.859
  222   2HA   GLY  82          1HA       GLY  82 -26.017  -2.313 -10.968
  223    H    VAL  83           H        VAL  83 -24.371  -1.935 -13.469
  224    HA   VAL  83           HA       VAL  83 -26.318  -2.424 -15.414
  225    HB   VAL  83           HB       VAL  83 -23.302  -2.358 -15.896
  226   1HG1  VAL  83          2HG1      VAL  83 -25.661  -1.393 -17.544
  227   2HG1  VAL  83          1HG1      VAL  83 -23.969  -1.216 -17.983
  228   3HG1  VAL  83          3HG1      VAL  83 -24.692  -2.821 -17.875
  229   1HG2  VAL  83          2HG2      VAL  83 -25.196   0.013 -15.480
  230   2HG2  VAL  83          1HG2      VAL  83 -23.911  -0.455 -14.391
  231   3HG2  VAL  83          3HG2      VAL  83 -23.522   0.134 -15.993
  232    H    THR  84           H        THR  84 -24.063  -4.570 -14.027
  233    HA   THR  84           HA       THR  84 -23.717  -6.868 -14.213
  234    HB   THR  84           HB       THR  84 -26.315  -6.806 -15.855
  235    HG1  THR  84           HG1      THR  84 -26.434  -5.780 -13.784
  236   1HG2  THR  84          3HG2      THR  84 -25.180  -8.913 -13.917
  237   2HG2  THR  84          2HG2      THR  84 -26.655  -9.053 -14.855
  238   3HG2  THR  84          1HG2      THR  84 -25.102  -9.123 -15.660
  239    H    ARG  85           H        ARG  85 -22.562  -5.094 -16.137
  240    HA   ARG  85           HA       ARG  85 -22.524  -6.295 -18.769
  241   1HB   ARG  85          2HB       ARG  85 -20.380  -4.604 -17.398
  242   2HB   ARG  85          1HB       ARG  85 -20.382  -5.023 -19.102
  243   1HG   ARG  85          2HG       ARG  85 -22.551  -3.818 -19.382
  244   2HG   ARG  85          1HG       ARG  85 -22.511  -3.395 -17.677
  245   1HD   ARG  85          2HD       ARG  85 -20.404  -2.156 -17.985
  246   2HD   ARG  85          1HD       ARG  85 -20.331  -2.639 -19.679
  247    HE   ARG  85           HE       ARG  85 -22.748  -1.417 -19.594
  248   1HH1  ARG  85          1HH2      ARG  85 -21.295  -0.198 -17.102
  249   2HH1  ARG  85          2HH2      ARG  85 -20.804   1.328 -17.744
  250   1HH2  ARG  85          2HH1      ARG  85 -21.440   0.300 -21.051
  251   2HH2  ARG  85          1HH1      ARG  85 -20.891   1.628 -20.086
  252    H    GLN  86           HN       GLN  86 -22.075  -8.480 -18.796
  253    HA   GLN  86           HA       GLN  86 -20.001  -9.603 -17.082
  254   1HB   GLN  86          2HB       GLN  86 -20.532 -11.750 -18.256
  255   2HB   GLN  86          1HB       GLN  86 -21.968 -10.956 -17.661
  256   1HG   GLN  86          2HG       GLN  86 -22.451 -10.080 -19.953
  257   2HG   GLN  86          1HG       GLN  86 -21.007 -10.879 -20.570
  258   1HE2  GLN  86          2HE2      GLN  86 -22.556 -14.065 -20.571
  259   2HE2  GLN  86          1HE2      GLN  86 -21.095 -13.231 -20.802
   
  No H/Q in entry =         259
  Start of MODEL   16
    1   1H    ALA  59          1H        ALA  59   5.721   5.332   0.810
    2   2H    ALA  59          3H        ALA  59   5.508   5.527   2.478
    3   3H    ALA  59          2H        ALA  59   6.469   4.260   1.895
    4    HA   ALA  59           HA       ALA  59   4.721   2.918   1.836
    5   1HB   ALA  59          3HB       ALA  59   3.897   4.320   3.758
    6   2HB   ALA  59          2HB       ALA  59   3.096   5.394   2.617
    7   3HB   ALA  59          1HB       ALA  59   2.562   3.734   2.782
    8    H    ILE  60           H        ILE  60   5.508   3.797  -0.562
    9    HA   ILE  60           HA       ILE  60   3.776   5.050  -2.366
   10    HB   ILE  60           HB       ILE  60   5.274   2.444  -2.923
   11   1HG1  ILE  60          2HG1      ILE  60   6.885   4.015  -1.936
   12   2HG1  ILE  60          1HG1      ILE  60   7.173   3.899  -3.649
   13   1HG2  ILE  60          3HG2      ILE  60   4.458   4.696  -4.815
   14   2HG2  ILE  60          2HG2      ILE  60   5.408   3.290  -5.259
   15   3HG2  ILE  60          1HG2      ILE  60   3.743   3.098  -4.757
   16   1HD1  ILE  60          3HD1      ILE  60   5.977   6.043  -4.043
   17   2HD1  ILE  60          2HD1      ILE  60   5.642   6.186  -2.323
   18   3HD1  ILE  60          1HD1      ILE  60   7.291   6.251  -2.906
   19    H    ILE  61           H        ILE  61   3.525   1.717  -1.287
   20    HA   ILE  61           HA       ILE  61   1.275   1.260  -2.905
   21    HB   ILE  61           HB       ILE  61   1.068  -0.658  -0.921
   22   1HG1  ILE  61          2HG1      ILE  61   3.065   0.468   0.272
   23   2HG1  ILE  61          1HG1      ILE  61   2.989  -1.256   0.069
   24   1HG2  ILE  61          1HG2      ILE  61   2.933  -0.727  -3.321
   25   2HG2  ILE  61          3HG2      ILE  61   2.394  -2.140  -2.428
   26   3HG2  ILE  61          2HG2      ILE  61   1.233  -1.155  -3.297
   27   1HD1  ILE  61          2HD1      ILE  61   4.649   0.495  -1.832
   28   2HD1  ILE  61          1HD1      ILE  61   5.281  -0.370  -0.446
   29   3HD1  ILE  61          3HD1      ILE  61   4.559  -1.243  -1.774
   30    H    ARG  62           H        ARG  62   1.139   3.462  -0.915
   31    HA   ARG  62           HA       ARG  62  -1.677   3.095  -0.203
   32   1HB   ARG  62          2HB       ARG  62   0.595   3.568   1.776
   33   2HB   ARG  62          1HB       ARG  62  -0.918   4.404   2.076
   34   1HG   ARG  62          2HG       ARG  62  -2.097   2.147   1.915
   35   2HG   ARG  62          1HG       ARG  62  -0.514   1.393   1.866
   36   1HD   ARG  62          2HD       ARG  62   0.035   2.218   4.091
   37   2HD   ARG  62          1HD       ARG  62  -1.380   3.268   4.111
   38    HE   ARG  62           HE       ARG  62  -1.955   0.398   3.790
   39   1HH1  ARG  62          1HH2      ARG  62  -3.960   2.231   4.843
   40   2HH1  ARG  62          2HH2      ARG  62  -3.905   1.964   6.550
   41   1HH2  ARG  62          2HH1      ARG  62  -0.756   0.417   6.376
   42   2HH2  ARG  62          1HH1      ARG  62  -2.017   0.903   7.454
   43    H    ILE  63           H        ILE  63   1.104   5.176  -0.485
   44    HA   ILE  63           HA       ILE  63  -0.279   7.557  -0.335
   45    HB   ILE  63           HB       ILE  63   2.262   6.554  -1.576
   46   1HG1  ILE  63          2HG1      ILE  63   1.297   7.709   1.003
   47   2HG1  ILE  63          1HG1      ILE  63   2.611   6.616   0.684
   48   1HG2  ILE  63          1HG2      ILE  63   1.356   9.420  -1.641
   49   2HG2  ILE  63          3HG2      ILE  63   2.983   8.826  -2.024
   50   3HG2  ILE  63          2HG2      ILE  63   1.619   8.359  -3.024
   51   1HD1  ILE  63          3HD1      ILE  63   3.991   8.525  -0.063
   52   2HD1  ILE  63          2HD1      ILE  63   2.628   9.602   0.252
   53   3HD1  ILE  63          1HD1      ILE  63   3.385   8.742   1.582
   54    H    LEU  64           H        LEU  64   0.392   5.507  -3.177
   55    HA   LEU  64           HA       LEU  64  -1.041   7.373  -4.916
   56   1HB   LEU  64          2HB       LEU  64  -0.188   4.509  -5.526
   57   2HB   LEU  64          1HB       LEU  64  -0.627   5.729  -6.693
   58    HG   LEU  64           HG       LEU  64   1.790   5.878  -4.817
   59   1HD1  LEU  64          3HD1      LEU  64   1.620   5.431  -7.831
   60   2HD1  LEU  64          2HD1      LEU  64   3.098   5.611  -6.912
   61   3HD1  LEU  64          1HD1      LEU  64   2.069   4.221  -6.641
   62   1HD2  LEU  64          2HD2      LEU  64   0.920   7.780  -7.056
   63   2HD2  LEU  64          1HD2      LEU  64   0.884   8.164  -5.342
   64   3HD2  LEU  64          3HD2      LEU  64   2.414   7.892  -6.142
   65    H    GLN  65           H        GLN  65  -1.728   4.467  -3.265
   66    HA   GLN  65           HA       GLN  65  -4.045   3.545  -4.515
   67   1HB   GLN  65          2HB       GLN  65  -3.060   3.485  -1.656
   68   2HB   GLN  65          1HB       GLN  65  -4.513   2.651  -2.127
   69   1HG   GLN  65          2HG       GLN  65  -2.379   1.197  -2.213
   70   2HG   GLN  65          1HG       GLN  65  -3.377   1.183  -3.642
   71   1HE2  GLN  65          2HE2      GLN  65   0.202   3.178  -3.936
   72   2HE2  GLN  65          1HE2      GLN  65  -0.573   3.198  -2.435
   73    H    GLN  66           H        GLN  66  -3.805   6.328  -2.435
   74    HA   GLN  66           HA       GLN  66  -6.597   6.450  -1.823
   75   1HB   GLN  66          2HB       GLN  66  -4.373   8.519  -1.795
   76   2HB   GLN  66          1HB       GLN  66  -5.979   8.769  -1.183
   77   1HG   GLN  66          2HG       GLN  66  -5.621   6.712   0.333
   78   2HG   GLN  66          1HG       GLN  66  -3.927   6.776  -0.139
   79   1HE2  GLN  66          2HE2      GLN  66  -3.369   9.828   1.672
   80   2HE2  GLN  66          1HE2      GLN  66  -2.786   8.938   0.338
   81    H    LEU  67           H        LEU  67  -4.641   7.563  -4.435
   82    HA   LEU  67           HA       LEU  67  -6.656   9.369  -5.529
   83   1HB   LEU  67          2HB       LEU  67  -4.102   8.259  -6.743
   84   2HB   LEU  67          1HB       LEU  67  -5.153   9.436  -7.504
   85    HG   LEU  67           HG       LEU  67  -4.878  10.772  -5.232
   86   1HD1  LEU  67          3HD1      LEU  67  -2.352   9.078  -5.149
   87   2HD1  LEU  67          2HD1      LEU  67  -2.668  10.499  -4.177
   88   3HD1  LEU  67          1HD1      LEU  67  -3.626   9.068  -3.945
   89   1HD2  LEU  67          1HD2      LEU  67  -2.641  10.598  -7.276
   90   2HD2  LEU  67          3HD2      LEU  67  -4.106  11.562  -7.417
   91   3HD2  LEU  67          2HD2      LEU  67  -2.925  11.944  -6.181
   92    H    LEU  68           H        LEU  68  -5.299   6.240  -6.094
   93    HA   LEU  68           HA       LEU  68  -7.013   5.595  -8.345
   94   1HB   LEU  68          2HB       LEU  68  -5.827   3.577  -6.336
   95   2HB   LEU  68          1HB       LEU  68  -6.216   3.260  -8.011
   96    HG   LEU  68           HG       LEU  68  -3.980   5.082  -7.018
   97   1HD1  LEU  68          2HD1      LEU  68  -3.868   2.362  -8.383
   98   2HD1  LEU  68          1HD1      LEU  68  -2.483   3.353  -7.972
   99   3HD1  LEU  68          3HD1      LEU  68  -3.479   2.682  -6.703
  100   1HD2  LEU  68          3HD2      LEU  68  -4.712   4.295  -9.872
  101   2HD2  LEU  68          2HD2      LEU  68  -4.897   5.899  -9.181
  102   3HD2  LEU  68          1HD2      LEU  68  -3.298   5.228  -9.411
  103    H    PHE  69           H        PHE  69  -7.185   5.267  -4.953
  104    HA   PHE  69           HA       PHE  69  -9.491   3.650  -4.683
  105   1HB   PHE  69          2HB       PHE  69  -8.268   4.366  -2.671
  106   2HB   PHE  69          1HB       PHE  69  -8.577   6.054  -3.017
  107    HD1  PHE  69           HD1      PHE  69 -10.447   2.852  -2.374
  108    HD2  PHE  69           HD2      PHE  69 -10.371   7.095  -1.971
  109    HE1  PHE  69           HE1      PHE  69 -12.507   2.770  -1.035
  110    HE2  PHE  69           HE2      PHE  69 -12.420   7.003  -0.636
  111    HZ   PHE  69           HZ       PHE  69 -13.497   4.846  -0.170
  112    H    ILE  70           H        ILE  70  -9.227   7.073  -5.040
  113    HA   ILE  70           HA       ILE  70 -12.043   7.600  -5.273
  114    HB   ILE  70           HB       ILE  70  -9.645   9.239  -5.946
  115   1HG1  ILE  70          2HG1      ILE  70 -11.496   8.661  -3.571
  116   2HG1  ILE  70          1HG1      ILE  70  -9.752   8.742  -3.603
  117   1HG2  ILE  70          2HG2      ILE  70 -11.679   9.990  -7.248
  118   2HG2  ILE  70          1HG2      ILE  70 -12.589  10.039  -5.747
  119   3HG2  ILE  70          3HG2      ILE  70 -11.241  11.140  -6.009
  120   1HD1  ILE  70          2HD1      ILE  70  -9.882  11.157  -3.917
  121   2HD1  ILE  70          1HD1      ILE  70 -11.651  11.037  -3.864
  122   3HD1  ILE  70          3HD1      ILE  70 -10.705  10.611  -2.442
  123    H    HIS  71           H        HIS  71  -9.489   7.293  -7.640
  124    HA   HIS  71           HA       HIS  71 -11.253   7.754  -9.911
  125   1HB   HIS  71          2HB       HIS  71  -8.474   6.476  -9.813
  126   2HB   HIS  71          1HB       HIS  71  -9.292   7.001 -11.279
  127    HD1  HIS  71           HD1      HIS  71  -6.833   8.415 -11.010
  128    HD2  HIS  71           HD2      HIS  71 -10.173   9.675  -8.886
  129    HE1  HIS  71           HE1      HIS  71  -6.525  10.805 -10.350
  130    H    PHE  72           H        PHE  72 -10.710   5.053  -8.000
  131    HA   PHE  72           HA       PHE  72 -11.676   3.196 -10.068
  132   1HB   PHE  72          2HB       PHE  72  -9.739   2.452  -8.700
  133   2HB   PHE  72          1HB       PHE  72 -10.630   2.785  -7.227
  134    HD1  PHE  72           HD2      PHE  72 -11.810   1.004 -10.337
  135    HD2  PHE  72           HD1      PHE  72 -10.849   0.714  -6.187
  136    HE1  PHE  72           HE2      PHE  72 -12.670  -1.282 -10.291
  137    HE2  PHE  72           HE1      PHE  72 -11.712  -1.578  -6.153
  138    HZ   PHE  72           HZ       PHE  72 -12.624  -2.582  -8.202
  139    H    ARG  73           H        ARG  73 -12.377   4.600  -6.969
  140    HA   ARG  73           HA       ARG  73 -14.839   3.258  -6.498
  141   1HB   ARG  73          2HB       ARG  73 -13.700   4.452  -4.629
  142   2HB   ARG  73          1HB       ARG  73 -13.862   5.984  -5.469
  143   1HG   ARG  73          2HG       ARG  73 -16.492   5.417  -5.363
  144   2HG   ARG  73          1HG       ARG  73 -15.993   4.301  -4.116
  145   1HD   ARG  73          2HD       ARG  73 -15.218   7.237  -4.032
  146   2HD   ARG  73          1HD       ARG  73 -16.724   6.643  -3.356
  147    HE   ARG  73           HE       ARG  73 -14.083   5.570  -2.421
  148   1HH1  ARG  73          1HH2      ARG  73 -16.903   4.745  -1.562
  149   2HH1  ARG  73          2HH2      ARG  73 -17.065   5.537  -0.032
  150   1HH2  ARG  73          2HH1      ARG  73 -14.291   7.622  -0.691
  151   2HH2  ARG  73          1HH1      ARG  73 -15.497   7.229   0.481
  152    H    ILE  74           H        ILE  74 -14.288   6.640  -7.399
  153    HA   ILE  74           HA       ILE  74 -16.919   7.293  -8.076
  154    HB   ILE  74           HB       ILE  74 -14.297   8.299  -9.287
  155   1HG1  ILE  74          2HG1      ILE  74 -16.041   9.251  -6.945
  156   2HG1  ILE  74          1HG1      ILE  74 -14.426   8.595  -6.832
  157   1HG2  ILE  74          2HG2      ILE  74 -16.253   8.914 -10.738
  158   2HG2  ILE  74          1HG2      ILE  74 -17.053   9.612  -9.341
  159   3HG2  ILE  74          3HG2      ILE  74 -15.577  10.327  -9.973
  160   1HD1  ILE  74          3HD1      ILE  74 -13.551  10.563  -8.113
  161   2HD1  ILE  74          2HD1      ILE  74 -15.165  11.248  -8.147
  162   3HD1  ILE  74          1HD1      ILE  74 -14.346  11.039  -6.621
  163    H    GLY  75           H        GLY  75 -14.609   5.514 -10.072
  164   1HA   GLY  75          2HA       GLY  75 -16.192   5.801 -12.486
  165   2HA   GLY  75          1HA       GLY  75 -15.013   4.516 -12.237
  166    H    CYS  76           H        CYS  76 -16.734   3.848  -9.749
  167    HA   CYS  76           HA       CYS  76 -18.688   2.169 -11.249
  168   1HB   CYS  76          2HB       CYS  76 -17.508   1.969  -8.471
  169   2HB   CYS  76          1HB       CYS  76 -18.712   0.860  -9.036
  170    HG   CYS  76           HG       CYS  76 -16.954  -0.287 -10.490
  171    H    ARG  77           H        ARG  77 -18.676   4.889  -9.827
  172    HA   ARG  77           HA       ARG  77 -20.955   4.921  -8.063
  173   1HB   ARG  77          2HB       ARG  77 -18.874   6.658  -8.686
  174   2HB   ARG  77          1HB       ARG  77 -20.229   7.491  -9.397
  175   1HG   ARG  77          2HG       ARG  77 -20.037   6.571  -6.503
  176   2HG   ARG  77          1HG       ARG  77 -19.610   8.175  -7.049
  177   1HD   ARG  77          2HD       ARG  77 -22.080   8.291  -7.946
  178   2HD   ARG  77          1HD       ARG  77 -22.368   6.929  -6.868
  179    HE   ARG  77           HE       ARG  77 -21.971   9.684  -6.067
  180   1HH1  ARG  77          2HH1      ARG  77 -19.733   7.862  -4.889
  181   2HH1  ARG  77          1HH1      ARG  77 -20.371   7.612  -3.301
  182   1HH2  ARG  77          1HH2      ARG  77 -23.568   8.707  -4.201
  183   2HH2  ARG  77          2HH2      ARG  77 -22.604   8.087  -2.910
  184    H    HIS  78           H        HIS  78 -20.474   6.072 -11.296
  185    HA   HIS  78           HA       HIS  78 -22.864   7.089 -12.088
  186   1HB   HIS  78          2HB       HIS  78 -22.332   6.397 -14.311
  187   2HB   HIS  78          1HB       HIS  78 -20.802   6.618 -13.505
  188    HD1  HIS  78           HD1      HIS  78 -22.182   4.321 -15.695
  189    HD2  HIS  78           HD2      HIS  78 -20.169   3.936 -12.074
  190    HE1  HIS  78           HE1      HIS  78 -21.216   2.025 -15.532
  191    H    SER  79           H        SER  79 -22.407   3.663 -11.507
  192    HA   SER  79           HA       SER  79 -25.332   3.280 -11.543
  193   1HB   SER  79          2HB       SER  79 -23.300   1.837 -13.293
  194   2HB   SER  79          1HB       SER  79 -24.942   1.270 -13.016
  195    HG   SER  79           HG       SER  79 -24.982   3.913 -13.546
  196    H    ARG  80           H        ARG  80 -23.161   3.378  -9.628
  197    HA   ARG  80           HA       ARG  80 -22.183   2.243  -7.875
  198   1HB   ARG  80          2HB       ARG  80 -24.571   2.944  -7.281
  199   2HB   ARG  80          1HB       ARG  80 -25.086   1.301  -7.599
  200   1HG   ARG  80          2HG       ARG  80 -23.409   0.541  -5.778
  201   2HG   ARG  80          1HG       ARG  80 -23.151   2.233  -5.439
  202   1HD   ARG  80          2HD       ARG  80 -25.487   2.572  -4.811
  203   2HD   ARG  80          1HD       ARG  80 -25.919   0.949  -5.349
  204    HE   ARG  80           HE       ARG  80 -23.843   0.796  -3.376
  205   1HH1  ARG  80          2HH1      ARG  80 -26.871  -0.246  -3.840
  206   2HH1  ARG  80          1HH1      ARG  80 -27.476   0.008  -2.240
  207   1HH2  ARG  80          1HH2      ARG  80 -24.677   1.890  -1.285
  208   2HH2  ARG  80          2HH2      ARG  80 -26.191   1.254  -0.752
  209    H    ILE  81           H        ILE  81 -21.389   0.798  -9.819
  210    HA   ILE  81           HA       ILE  81 -22.171  -1.881 -10.154
  211    HB   ILE  81           HB       ILE  81 -19.424  -0.538 -10.314
  212   1HG1  ILE  81          2HG1      ILE  81 -19.621  -0.811 -12.702
  213   2HG1  ILE  81          1HG1      ILE  81 -21.012  -1.854 -12.538
  214   1HG2  ILE  81          3HG2      ILE  81 -19.895  -3.473 -10.973
  215   2HG2  ILE  81          2HG2      ILE  81 -18.439  -2.570 -11.363
  216   3HG2  ILE  81          1HG2      ILE  81 -18.872  -2.860  -9.694
  217   1HD1  ILE  81          2HD1      ILE  81 -20.957   1.099 -11.794
  218   2HD1  ILE  81          1HD1      ILE  81 -21.658   0.403 -13.248
  219   3HD1  ILE  81          3HD1      ILE  81 -22.361   0.032 -11.690
  220    H    GLY  82           H        GLY  82 -20.824  -0.581  -7.458
  221   1HA   GLY  82          2HA       GLY  82 -19.514  -2.734  -6.184
  222   2HA   GLY  82          1HA       GLY  82 -20.396  -1.502  -5.278
  223    H    VAL  83           H        VAL  83 -22.881  -2.108  -6.587
  224    HA   VAL  83           HA       VAL  83 -23.993  -3.960  -4.797
  225    HB   VAL  83           HB       VAL  83 -24.947  -3.069  -7.567
  226   1HG1  VAL  83          1HG1      VAL  83 -26.517  -4.206  -5.232
  227   2HG1  VAL  83          3HG1      VAL  83 -27.211  -3.592  -6.734
  228   3HG1  VAL  83          2HG1      VAL  83 -26.207  -5.036  -6.750
  229   1HG2  VAL  83          3HG2      VAL  83 -25.547  -1.949  -4.773
  230   2HG2  VAL  83          2HG2      VAL  83 -24.531  -1.179  -5.973
  231   3HG2  VAL  83          1HG2      VAL  83 -26.238  -1.356  -6.277
  232    H    THR  84           H        THR  84 -22.336  -4.552  -7.741
  233    HA   THR  84           HA       THR  84 -23.391  -7.182  -8.235
  234    HB   THR  84           HB       THR  84 -20.688  -5.966  -9.090
  235    HG1  THR  84           HG1      THR  84 -22.715  -5.936 -10.869
  236   1HG2  THR  84          2HG2      THR  84 -22.521  -8.041 -10.467
  237   2HG2  THR  84          1HG2      THR  84 -20.959  -7.477 -11.056
  238   3HG2  THR  84          3HG2      THR  84 -21.053  -8.481  -9.623
  239    H    ARG  85           H        ARG  85 -21.009  -6.071  -5.906
  240    HA   ARG  85           HA       ARG  85 -19.794  -8.717  -5.653
  241   1HB   ARG  85          2HB       ARG  85 -18.485  -6.721  -4.948
  242   2HB   ARG  85          1HB       ARG  85 -19.695  -6.317  -3.742
  243   1HG   ARG  85          2HG       ARG  85 -19.233  -8.492  -2.551
  244   2HG   ARG  85          1HG       ARG  85 -18.084  -8.933  -3.791
  245   1HD   ARG  85          2HD       ARG  85 -17.767  -6.450  -2.055
  246   2HD   ARG  85          1HD       ARG  85 -17.081  -8.016  -1.635
  247    HE   ARG  85           HE       ARG  85 -16.252  -7.470  -4.271
  248   1HH1  ARG  85          1HH2      ARG  85 -14.393  -8.045  -2.043
  249   2HH1  ARG  85          2HH2      ARG  85 -13.500  -6.575  -1.877
  250   1HH2  ARG  85          2HH1      ARG  85 -15.909  -4.754  -3.707
  251   2HH2  ARG  85          1HH1      ARG  85 -14.405  -4.620  -2.867
  252    H    GLN  86           HN       GLN  86 -21.627  -9.990  -5.466
  253    HA   GLN  86           HA       GLN  86 -23.813  -9.829  -3.794
  254   1HB   GLN  86          2HB       GLN  86 -23.802 -12.357  -3.740
  255   2HB   GLN  86          1HB       GLN  86 -23.566 -11.677  -5.338
  256   1HG   GLN  86          2HG       GLN  86 -21.116 -12.104  -5.206
  257   2HG   GLN  86          1HG       GLN  86 -21.261 -12.642  -3.547
  258   1HE2  GLN  86          2HE2      GLN  86 -23.217 -15.253  -5.917
  259   2HE2  GLN  86          1HE2      GLN  86 -23.754 -13.638  -5.857
   
  No H/Q in entry =         259
  Start of MODEL   17
    1   1H    ALA  59          2H        ALA  59   3.350   3.900   2.025
    2   2H    ALA  59          1H        ALA  59   3.540   2.691   3.200
    3   3H    ALA  59          3H        ALA  59   4.864   3.663   2.764
    4    HA   ALA  59           HA       ALA  59   5.429   2.247   1.186
    5   1HB   ALA  59          2HB       ALA  59   2.829   0.816   1.863
    6   2HB   ALA  59          1HB       ALA  59   4.140   0.132   0.913
    7   3HB   ALA  59          3HB       ALA  59   4.390   0.496   2.618
    8    H    ILE  60           H        ILE  60   5.319   2.398  -1.003
    9    HA   ILE  60           HA       ILE  60   3.643   4.112  -2.369
   10    HB   ILE  60           HB       ILE  60   4.776   1.566  -3.602
   11   1HG1  ILE  60          2HG1      ILE  60   6.657   2.566  -2.377
   12   2HG1  ILE  60          1HG1      ILE  60   6.845   2.928  -4.065
   13   1HG2  ILE  60          3HG2      ILE  60   3.305   2.901  -5.091
   14   2HG2  ILE  60          2HG2      ILE  60   4.268   4.332  -4.790
   15   3HG2  ILE  60          1HG2      ILE  60   4.964   2.969  -5.647
   16   1HD1  ILE  60          1HD1      ILE  60   5.707   4.898  -2.041
   17   2HD1  ILE  60          3HD1      ILE  60   7.329   4.922  -2.696
   18   3HD1  ILE  60          2HD1      ILE  60   5.962   5.214  -3.750
   19    H    ILE  61           H        ILE  61   3.035   0.649  -2.049
   20    HA   ILE  61           HA       ILE  61   0.771   0.789  -3.657
   21    HB   ILE  61           HB       ILE  61   0.268  -1.406  -2.051
   22   1HG1  ILE  61          2HG1      ILE  61   2.355  -0.757  -0.669
   23   2HG1  ILE  61          1HG1      ILE  61   2.064  -2.402  -1.150
   24   1HG2  ILE  61          3HG2      ILE  61   2.179  -1.283  -4.413
   25   2HG2  ILE  61          2HG2      ILE  61   1.458  -2.759  -3.783
   26   3HG2  ILE  61          1HG2      ILE  61   0.442  -1.506  -4.470
   27   1HD1  ILE  61          2HD1      ILE  61   4.014  -0.583  -2.694
   28   2HD1  ILE  61          1HD1      ILE  61   4.459  -1.784  -1.499
   29   3HD1  ILE  61          3HD1      ILE  61   3.675  -2.264  -2.982
   30    H    ARG  62           H        ARG  62   0.978   2.256  -0.864
   31    HA   ARG  62           HA       ARG  62  -1.947   2.216  -0.457
   32   1HB   ARG  62          2HB       ARG  62   0.307   1.832   1.547
   33   2HB   ARG  62          1HB       ARG  62  -0.937   2.945   2.062
   34   1HG   ARG  62          2HG       ARG  62  -1.488   0.790   2.971
   35   2HG   ARG  62          1HG       ARG  62  -2.657   1.158   1.725
   36   1HD   ARG  62          2HD       ARG  62  -1.562  -0.370   0.162
   37   2HD   ARG  62          1HD       ARG  62  -0.232  -0.637   1.286
   38    HE   ARG  62           HE       ARG  62  -1.742  -1.916   2.686
   39   1HH1  ARG  62          1HH2      ARG  62  -4.247  -0.406   2.164
   40   2HH1  ARG  62          2HH2      ARG  62  -5.169  -1.535   1.230
   41   1HH2  ARG  62          2HH1      ARG  62  -2.348  -3.449   0.426
   42   2HH2  ARG  62          1HH1      ARG  62  -4.053  -3.294   0.187
   43    H    ILE  63           H        ILE  63   1.038   3.935  -0.420
   44    HA   ILE  63           HA       ILE  63   0.063   6.371   0.358
   45    HB   ILE  63           HB       ILE  63   2.395   5.312  -1.112
   46   1HG1  ILE  63          2HG1      ILE  63   1.743   6.754   1.517
   47   2HG1  ILE  63          1HG1      ILE  63   2.033   5.040   1.328
   48   1HG2  ILE  63          2HG2      ILE  63   1.875   8.255  -0.636
   49   2HG2  ILE  63          1HG2      ILE  63   3.396   7.542  -1.188
   50   3HG2  ILE  63          3HG2      ILE  63   1.980   7.477  -2.214
   51   1HD1  ILE  63          3HD1      ILE  63   4.284   5.551   0.572
   52   2HD1  ILE  63          2HD1      ILE  63   3.945   7.280   0.824
   53   3HD1  ILE  63          1HD1      ILE  63   3.933   6.176   2.205
   54    H    LEU  64           H        LEU  64   0.364   5.082  -3.017
   55    HA   LEU  64           HA       LEU  64  -0.988   7.551  -3.909
   56   1HB   LEU  64          2HB       LEU  64  -0.521   6.768  -6.208
   57   2HB   LEU  64          1HB       LEU  64   0.903   6.864  -5.215
   58    HG   LEU  64           HG       LEU  64   0.577   4.286  -4.843
   59   1HD1  LEU  64          3HD1      LEU  64  -1.713   4.161  -5.924
   60   2HD1  LEU  64          2HD1      LEU  64  -0.998   4.703  -7.426
   61   3HD1  LEU  64          1HD1      LEU  64  -0.546   3.155  -6.745
   62   1HD2  LEU  64          2HD2      LEU  64   1.419   5.395  -7.549
   63   2HD2  LEU  64          1HD2      LEU  64   2.441   5.296  -6.127
   64   3HD2  LEU  64          3HD2      LEU  64   1.884   3.828  -6.903
   65    H    GLN  65           H        GLN  65  -2.003   4.460  -2.975
   66    HA   GLN  65           HA       GLN  65  -4.156   3.965  -4.735
   67   1HB   GLN  65          2HB       GLN  65  -3.520   3.257  -1.873
   68   2HB   GLN  65          1HB       GLN  65  -5.078   2.833  -2.532
   69   1HG   GLN  65          2HG       GLN  65  -3.289   1.038  -2.772
   70   2HG   GLN  65          1HG       GLN  65  -4.158   1.451  -4.230
   71   1HE2  GLN  65          2HE2      GLN  65  -0.322   2.883  -4.046
   72   2HE2  GLN  65          1HE2      GLN  65  -1.240   2.894  -2.621
   73    H    GLN  66           H        GLN  66  -3.776   6.372  -2.425
   74    HA   GLN  66           HA       GLN  66  -6.540   6.790  -1.829
   75   1HB   GLN  66          2HB       GLN  66  -4.094   8.611  -1.586
   76   2HB   GLN  66          1HB       GLN  66  -5.644   8.869  -0.852
   77   1HG   GLN  66          2HG       GLN  66  -5.309   6.525   0.294
   78   2HG   GLN  66          1HG       GLN  66  -3.621   6.688  -0.174
   79   1HE2  GLN  66          2HE2      GLN  66  -3.077   8.905   2.568
   80   2HE2  GLN  66          1HE2      GLN  66  -2.374   7.801   1.471
   81    H    LEU  67           H        LEU  67  -4.370   7.841  -4.293
   82    HA   LEU  67           HA       LEU  67  -6.207   9.920  -5.220
   83   1HB   LEU  67          2HB       LEU  67  -3.713   8.740  -6.511
   84   2HB   LEU  67          1HB       LEU  67  -4.641  10.071  -7.170
   85    HG   LEU  67           HG       LEU  67  -4.328  11.125  -4.752
   86   1HD1  LEU  67          2HD1      LEU  67  -1.938   9.258  -4.887
   87   2HD1  LEU  67          1HD1      LEU  67  -2.148  10.568  -3.736
   88   3HD1  LEU  67          3HD1      LEU  67  -3.208   9.188  -3.680
   89   1HD2  LEU  67          3HD2      LEU  67  -2.095  11.026  -6.802
   90   2HD2  LEU  67          2HD2      LEU  67  -3.477  12.115  -6.821
   91   3HD2  LEU  67          1HD2      LEU  67  -2.281  12.245  -5.547
   92    H    LEU  68           H        LEU  68  -5.124   6.734  -6.200
   93    HA   LEU  68           HA       LEU  68  -6.993   6.696  -8.464
   94   1HB   LEU  68          2HB       LEU  68  -6.580   4.274  -8.594
   95   2HB   LEU  68          1HB       LEU  68  -5.174   5.292  -8.734
   96    HG   LEU  68           HG       LEU  68  -5.013   4.942  -6.205
   97   1HD1  LEU  68          3HD1      LEU  68  -6.631   2.480  -7.032
   98   2HD1  LEU  68          2HD1      LEU  68  -5.819   2.634  -5.488
   99   3HD1  LEU  68          1HD1      LEU  68  -7.151   3.676  -5.871
  100   1HD2  LEU  68          1HD2      LEU  68  -4.387   2.835  -8.296
  101   2HD2  LEU  68          3HD2      LEU  68  -3.382   4.214  -7.886
  102   3HD2  LEU  68          2HD2      LEU  68  -3.568   2.899  -6.738
  103    H    PHE  69           H        PHE  69  -7.152   5.999  -5.115
  104    HA   PHE  69           HA       PHE  69  -9.438   4.360  -5.002
  105   1HB   PHE  69          2HB       PHE  69  -8.339   4.961  -2.889
  106   2HB   PHE  69          1HB       PHE  69  -8.541   6.672  -3.199
  107    HD1  PHE  69           HD1      PHE  69 -10.717   3.610  -2.979
  108    HD2  PHE  69           HD2      PHE  69 -10.181   7.702  -1.919
  109    HE1  PHE  69           HE1      PHE  69 -12.818   3.559  -1.704
  110    HE2  PHE  69           HE2      PHE  69 -12.276   7.647  -0.641
  111    HZ   PHE  69           HZ       PHE  69 -13.596   5.577  -0.530
  112    H    ILE  70           H        ILE  70  -9.145   7.797  -5.133
  113    HA   ILE  70           HA       ILE  70 -11.831   8.618  -5.319
  114    HB   ILE  70           HB       ILE  70  -9.358   9.834  -6.431
  115   1HG1  ILE  70          2HG1      ILE  70 -11.079   9.920  -3.877
  116   2HG1  ILE  70          1HG1      ILE  70  -9.378   9.526  -4.013
  117   1HG2  ILE  70          3HG2      ILE  70 -11.388  10.691  -7.653
  118   2HG2  ILE  70          2HG2      ILE  70 -12.153  11.045  -6.108
  119   3HG2  ILE  70          1HG2      ILE  70 -10.705  11.907  -6.610
  120   1HD1  ILE  70          3HD1      ILE  70  -8.904  11.796  -4.689
  121   2HD1  ILE  70          2HD1      ILE  70 -10.632  12.189  -4.519
  122   3HD1  ILE  70          1HD1      ILE  70  -9.704  11.693  -3.103
  123    H    HIS  71           H        HIS  71  -9.656   8.076  -7.989
  124    HA   HIS  71           HA       HIS  71 -11.543   8.492 -10.088
  125   1HB   HIS  71          2HB       HIS  71  -9.165   6.586 -10.100
  126   2HB   HIS  71          1HB       HIS  71  -9.989   7.188 -11.537
  127    HD1  HIS  71           HD1      HIS  71  -7.057   7.905 -11.164
  128    HD2  HIS  71           HD2      HIS  71 -10.204  10.248  -9.777
  129    HE1  HIS  71           HE1      HIS  71  -6.265  10.251 -10.878
  130    H    PHE  72           H        PHE  72 -10.982   5.589  -8.214
  131    HA   PHE  72           HA       PHE  72 -12.745   4.013  -9.943
  132   1HB   PHE  72          2HB       PHE  72 -11.364   3.430  -7.290
  133   2HB   PHE  72          1HB       PHE  72 -12.500   2.315  -8.026
  134    HD1  PHE  72           HD2      PHE  72  -9.662   4.387  -9.484
  135    HD2  PHE  72           HD1      PHE  72 -11.371   0.522  -8.927
  136    HE1  PHE  72           HE2      PHE  72  -7.886   3.408 -10.847
  137    HE2  PHE  72           HE1      PHE  72  -9.587  -0.449 -10.293
  138    HZ   PHE  72           HZ       PHE  72  -7.842   0.986 -11.260
  139    H    ARG  73           H        ARG  73 -12.735   5.751  -6.978
  140    HA   ARG  73           HA       ARG  73 -15.155   4.856  -5.946
  141   1HB   ARG  73          2HB       ARG  73 -13.297   6.701  -5.089
  142   2HB   ARG  73          1HB       ARG  73 -14.536   7.798  -5.589
  143   1HG   ARG  73          2HG       ARG  73 -14.537   5.679  -3.409
  144   2HG   ARG  73          1HG       ARG  73 -14.951   7.370  -3.269
  145   1HD   ARG  73          2HD       ARG  73 -16.706   5.241  -4.598
  146   2HD   ARG  73          1HD       ARG  73 -16.960   5.963  -3.028
  147    HE   ARG  73           HE       ARG  73 -17.460   7.244  -5.631
  148   1HH1  ARG  73          1HH2      ARG  73 -16.443   9.536  -4.637
  149   2HH1  ARG  73          2HH2      ARG  73 -17.545  10.158  -3.457
  150   1HH2  ARG  73          2HH1      ARG  73 -19.136   7.048  -3.090
  151   2HH2  ARG  73          1HH1      ARG  73 -19.126   8.678  -2.508
  152    H    ILE  74           H        ILE  74 -14.311   7.382  -8.117
  153    HA   ILE  74           HA       ILE  74 -16.999   8.364  -8.656
  154    HB   ILE  74           HB       ILE  74 -14.359   8.609 -10.209
  155   1HG1  ILE  74          2HG1      ILE  74 -15.808  10.557  -8.343
  156   2HG1  ILE  74          1HG1      ILE  74 -14.386   9.634  -7.920
  157   1HG2  ILE  74          2HG2      ILE  74 -16.336   8.994 -11.716
  158   2HG2  ILE  74          1HG2      ILE  74 -16.937  10.207 -10.596
  159   3HG2  ILE  74          3HG2      ILE  74 -15.432  10.463 -11.461
  160   1HD1  ILE  74          1HD1      ILE  74 -13.092  10.790  -9.724
  161   2HD1  ILE  74          3HD1      ILE  74 -14.506  11.759 -10.116
  162   3HD1  ILE  74          2HD1      ILE  74 -13.745  11.920  -8.551
  163    H    GLY  75           H        GLY  75 -14.729   6.214 -10.319
  164   1HA   GLY  75          2HA       GLY  75 -16.308   5.539 -12.549
  165   2HA   GLY  75          1HA       GLY  75 -15.138   4.443 -11.806
  166    H    CYS  76           H        CYS  76 -16.439   4.326  -9.286
  167    HA   CYS  76           HA       CYS  76 -18.199   2.171  -9.738
  168   1HB   CYS  76          2HB       CYS  76 -17.944   3.890  -7.253
  169   2HB   CYS  76          1HB       CYS  76 -18.776   2.361  -7.287
  170    HG   CYS  76           HG       CYS  76 -16.607   1.120  -7.190
  171    H    ARG  77           H        ARG  77 -18.788   5.272  -9.900
  172    HA   ARG  77           HA       ARG  77 -21.590   5.381  -9.105
  173   1HB   ARG  77          2HB       ARG  77 -19.994   7.223 -10.951
  174   2HB   ARG  77          1HB       ARG  77 -21.681   7.487 -10.586
  175   1HG   ARG  77          2HG       ARG  77 -21.024   7.450  -8.089
  176   2HG   ARG  77          1HG       ARG  77 -19.353   7.481  -8.609
  177   1HD   ARG  77          2HD       ARG  77 -20.119   9.777  -8.140
  178   2HD   ARG  77          1HD       ARG  77 -19.827   9.626  -9.870
  179    HE   ARG  77           HE       ARG  77 -22.468   9.019  -9.756
  180   1HH1  ARG  77          2HH1      ARG  77 -20.772  11.792  -9.848
  181   2HH1  ARG  77          1HH1      ARG  77 -21.957  12.824  -9.124
  182   1HH2  ARG  77          1HH2      ARG  77 -23.939  10.119  -8.098
  183   2HH2  ARG  77          2HH2      ARG  77 -23.805  11.841  -8.092
  184    H    HIS  78           H        HIS  78 -19.899   4.231 -11.827
  185    HA   HIS  78           HA       HIS  78 -21.817   4.414 -13.875
  186   1HB   HIS  78          2HB       HIS  78 -20.555   2.741 -14.970
  187   2HB   HIS  78          1HB       HIS  78 -19.369   3.362 -13.857
  188    HD1  HIS  78           HD1      HIS  78 -21.106   0.278 -14.699
  189    HD2  HIS  78           HD2      HIS  78 -19.058   1.837 -11.465
  190    HE1  HIS  78           HE1      HIS  78 -20.512  -1.590 -13.140
  191    H    SER  79           H        SER  79 -21.701   2.376 -11.095
  192    HA   SER  79           HA       SER  79 -24.529   1.714 -11.277
  193   1HB   SER  79          2HB       SER  79 -23.726   0.232 -13.143
  194   2HB   SER  79          1HB       SER  79 -22.623  -0.571 -12.030
  195    HG   SER  79           HG       SER  79 -24.685  -0.914 -10.742
  196    H    ARG  80           H        ARG  80 -22.537   2.545  -9.355
  197    HA   ARG  80           HA       ARG  80 -21.585   2.066  -7.263
  198   1HB   ARG  80          2HB       ARG  80 -23.945   3.111  -7.096
  199   2HB   ARG  80          1HB       ARG  80 -24.525   1.511  -6.675
  200   1HG   ARG  80          2HG       ARG  80 -22.814   1.465  -4.772
  201   2HG   ARG  80          1HG       ARG  80 -22.325   3.083  -5.227
  202   1HD   ARG  80          2HD       ARG  80 -23.901   3.170  -3.339
  203   2HD   ARG  80          1HD       ARG  80 -24.646   3.891  -4.766
  204    HE   ARG  80           HE       ARG  80 -25.206   1.045  -4.535
  205   1HH1  ARG  80          1HH2      ARG  80 -27.189   2.769  -5.661
  206   2HH1  ARG  80          2HH2      ARG  80 -28.331   3.032  -4.393
  207   1HH2  ARG  80          2HH1      ARG  80 -26.050   1.990  -1.918
  208   2HH2  ARG  80          1HH1      ARG  80 -27.656   2.582  -2.167
  209    H    ILE  81           H        ILE  81 -21.028   0.051  -8.601
  210    HA   ILE  81           HA       ILE  81 -20.743  -2.248  -8.818
  211    HB   ILE  81           HB       ILE  81 -20.243  -1.867  -5.862
  212   1HG1  ILE  81          2HG1      ILE  81 -19.198   0.076  -6.992
  213   2HG1  ILE  81          1HG1      ILE  81 -17.938  -1.014  -6.499
  214   1HG2  ILE  81          3HG2      ILE  81 -18.930  -3.570  -8.039
  215   2HG2  ILE  81          2HG2      ILE  81 -18.367  -3.490  -6.376
  216   3HG2  ILE  81          1HG2      ILE  81 -19.953  -4.151  -6.744
  217   1HD1  ILE  81          2HD1      ILE  81 -19.047  -0.837  -9.350
  218   2HD1  ILE  81          1HD1      ILE  81 -17.522  -0.190  -8.790
  219   3HD1  ILE  81          3HD1      ILE  81 -17.767  -1.918  -8.826
  220    H    GLY  82           H        GLY  82 -23.151  -2.124  -8.959
  221   1HA   GLY  82          2HA       GLY  82 -24.968  -3.179  -7.039
  222   2HA   GLY  82          1HA       GLY  82 -25.216  -3.294  -8.781
  223    H    VAL  83           H        VAL  83 -22.576  -4.723  -8.912
  224    HA   VAL  83           HA       VAL  83 -23.561  -7.408  -8.846
  225    HB   VAL  83           HB       VAL  83 -20.705  -6.280  -9.008
  226   1HG1  VAL  83          2HG1      VAL  83 -21.778  -8.987  -9.859
  227   2HG1  VAL  83          1HG1      VAL  83 -20.134  -8.398 -10.107
  228   3HG1  VAL  83          3HG1      VAL  83 -20.730  -8.684  -8.480
  229   1HG2  VAL  83          3HG2      VAL  83 -22.208  -5.431 -10.859
  230   2HG2  VAL  83          2HG2      VAL  83 -20.991  -6.526 -11.481
  231   3HG2  VAL  83          1HG2      VAL  83 -22.638  -7.085 -11.252
  232    H    THR  84           H        THR  84 -22.311  -5.278  -6.605
  233    HA   THR  84           HA       THR  84 -22.467  -5.398  -4.285
  234    HB   THR  84           HB       THR  84 -21.615  -8.356  -4.449
  235    HG1  THR  84           HG1      THR  84 -23.582  -8.371  -5.256
  236   1HG2  THR  84          2HG2      THR  84 -23.073  -6.723  -2.290
  237   2HG2  THR  84          1HG2      THR  84 -22.564  -8.400  -2.147
  238   3HG2  THR  84          3HG2      THR  84 -21.363  -7.119  -2.201
  239    H    ARG  85           H        ARG  85 -20.754  -4.427  -3.538
  240    HA   ARG  85           HA       ARG  85 -18.113  -4.806  -4.724
  241   1HB   ARG  85          2HB       ARG  85 -17.337  -3.091  -3.052
  242   2HB   ARG  85          1HB       ARG  85 -18.760  -2.535  -3.914
  243   1HG   ARG  85          2HG       ARG  85 -20.165  -2.759  -2.060
  244   2HG   ARG  85          1HG       ARG  85 -19.207  -4.021  -1.317
  245   1HD   ARG  85          2HD       ARG  85 -18.988  -1.903  -0.065
  246   2HD   ARG  85          1HD       ARG  85 -17.443  -2.374  -0.760
  247    HE   ARG  85           HE       ARG  85 -18.825  -0.617  -2.569
  248   1HH1  ARG  85          1HH2      ARG  85 -15.985  -0.782  -1.224
  249   2HH1  ARG  85          2HH2      ARG  85 -15.882   0.800  -0.533
  250   1HH2  ARG  85          2HH1      ARG  85 -19.308   1.405  -0.993
  251   2HH2  ARG  85          1HH1      ARG  85 -17.837   2.090  -0.397
  252    H    GLN  86           HN       GLN  86 -16.205  -5.024  -3.119
  253    HA   GLN  86           HA       GLN  86 -16.438  -7.631  -1.898
  254   1HB   GLN  86          2HB       GLN  86 -14.317  -6.720  -2.928
  255   2HB   GLN  86          1HB       GLN  86 -14.239  -5.515  -1.655
  256   1HG   GLN  86          2HG       GLN  86 -12.730  -7.442  -1.154
  257   2HG   GLN  86          1HG       GLN  86 -13.990  -7.315   0.055
  258   1HE2  GLN  86          2HE2      GLN  86 -14.403 -10.334  -2.684
  259   2HE2  GLN  86          1HE2      GLN  86 -13.768  -8.854  -3.227
   
  No H/Q in entry =         259
  Start of MODEL   18
    1   1H    ALA  59          2H        ALA  59   5.655   5.577   1.148
    2   2H    ALA  59          1H        ALA  59   5.348   6.082   2.725
    3   3H    ALA  59          3H        ALA  59   6.020   4.555   2.458
    4    HA   ALA  59           HA       ALA  59   4.008   3.657   2.372
    5   1HB   ALA  59          1HB       ALA  59   3.384   5.522   3.936
    6   2HB   ALA  59          3HB       ALA  59   3.015   6.534   2.546
    7   3HB   ALA  59          2HB       ALA  59   2.044   5.111   2.875
    8    H    ILE  60           H        ILE  60   5.320   4.300  -0.078
    9    HA   ILE  60           HA       ILE  60   3.708   5.452  -2.114
   10    HB   ILE  60           HB       ILE  60   5.655   3.062  -2.262
   11   1HG1  ILE  60          2HG1      ILE  60   7.237   4.690  -3.298
   12   2HG1  ILE  60          1HG1      ILE  60   6.095   5.990  -3.040
   13   1HG2  ILE  60          2HG2      ILE  60   4.140   3.015  -4.231
   14   2HG2  ILE  60          1HG2      ILE  60   4.528   4.686  -4.582
   15   3HG2  ILE  60          3HG2      ILE  60   5.764   3.459  -4.704
   16   1HD1  ILE  60          1HD1      ILE  60   7.412   4.383  -0.802
   17   2HD1  ILE  60          3HD1      ILE  60   7.900   5.972  -1.351
   18   3HD1  ILE  60          2HD1      ILE  60   6.345   5.775  -0.590
   19    H    ILE  61           H        ILE  61   3.613   2.166  -0.816
   20    HA   ILE  61           HA       ILE  61   1.592   1.461  -2.659
   21    HB   ILE  61           HB       ILE  61   1.346  -0.423  -0.684
   22   1HG1  ILE  61          2HG1      ILE  61   3.054   0.837   0.748
   23   2HG1  ILE  61          1HG1      ILE  61   3.201  -0.881   0.505
   24   1HG2  ILE  61          1HG2      ILE  61   3.451  -0.327  -2.876
   25   2HG2  ILE  61          3HG2      ILE  61   2.974  -1.784  -2.013
   26   3HG2  ILE  61          2HG2      ILE  61   1.808  -0.924  -3.002
   27   1HD1  ILE  61          2HD1      ILE  61   4.892   1.093  -1.139
   28   2HD1  ILE  61          1HD1      ILE  61   5.414   0.271   0.318
   29   3HD1  ILE  61          3HD1      ILE  61   4.987  -0.644  -1.104
   30    H    ARG  62           H        ARG  62   1.115   3.706  -0.752
   31    HA   ARG  62           HA       ARG  62  -1.689   3.028  -0.192
   32   1HB   ARG  62          2HB       ARG  62   0.354   4.237   1.756
   33   2HB   ARG  62          1HB       ARG  62  -1.351   4.610   1.926
   34   1HG   ARG  62          2HG       ARG  62  -1.808   2.107   2.042
   35   2HG   ARG  62          1HG       ARG  62  -0.073   1.847   2.080
   36   1HD   ARG  62          2HD       ARG  62   0.139   3.086   4.180
   37   2HD   ARG  62          1HD       ARG  62  -1.542   3.614   4.100
   38    HE   ARG  62           HE       ARG  62  -1.589   0.804   4.019
   39   1HH1  ARG  62          1HH2      ARG  62   0.738   1.540   5.888
   40   2HH1  ARG  62          2HH2      ARG  62  -0.025   1.486   7.434
   41   1HH2  ARG  62          2HH1      ARG  62  -3.248   1.490   6.018
   42   2HH2  ARG  62          1HH1      ARG  62  -2.381   1.441   7.510
   43    H    ILE  63           H        ILE  63   0.746   5.588  -0.455
   44    HA   ILE  63           HA       ILE  63  -1.070   7.621  -0.767
   45    HB   ILE  63           HB       ILE  63   1.693   7.082  -1.789
   46   1HG1  ILE  63          2HG1      ILE  63   0.320   8.185   0.679
   47   2HG1  ILE  63          1HG1      ILE  63   1.775   7.235   0.544
   48   1HG2  ILE  63          1HG2      ILE  63   0.121   9.649  -1.911
   49   2HG2  ILE  63          3HG2      ILE  63   1.841   9.452  -2.294
   50   3HG2  ILE  63          2HG2      ILE  63   0.628   8.667  -3.288
   51   1HD1  ILE  63          1HD1      ILE  63   2.983   9.201  -0.264
   52   2HD1  ILE  63          3HD1      ILE  63   1.499  10.157  -0.113
   53   3HD1  ILE  63          2HD1      ILE  63   2.243   9.469   1.326
   54    H    LEU  64           H        LEU  64   0.426   5.612  -3.344
   55    HA   LEU  64           HA       LEU  64  -1.048   6.870  -5.483
   56   1HB   LEU  64          2HB       LEU  64  -0.103   3.967  -5.412
   57   2HB   LEU  64          1HB       LEU  64  -0.475   4.897  -6.835
   58    HG   LEU  64           HG       LEU  64   1.828   5.530  -4.931
   59   1HD1  LEU  64          1HD1      LEU  64   1.785   4.334  -7.740
   60   2HD1  LEU  64          3HD1      LEU  64   3.224   4.743  -6.831
   61   3HD1  LEU  64          2HD1      LEU  64   2.172   3.465  -6.264
   62   1HD2  LEU  64          2HD2      LEU  64   1.062   6.765  -7.628
   63   2HD2  LEU  64          1HD2      LEU  64   0.929   7.572  -6.074
   64   3HD2  LEU  64          3HD2      LEU  64   2.504   7.147  -6.704
   65    H    GLN  65           H        GLN  65  -1.845   4.386  -3.280
   66    HA   GLN  65           HA       GLN  65  -4.155   3.360  -4.628
   67   1HB   GLN  65          2HB       GLN  65  -3.180   3.240  -1.752
   68   2HB   GLN  65          1HB       GLN  65  -4.563   2.379  -2.337
   69   1HG   GLN  65          2HG       GLN  65  -2.456   0.951  -2.334
   70   2HG   GLN  65          1HG       GLN  65  -3.219   1.046  -3.901
   71   1HE2  GLN  65          2HE2      GLN  65   0.286   3.181  -3.571
   72   2HE2  GLN  65          1HE2      GLN  65  -0.815   3.268  -2.281
   73    H    GLN  66           H        GLN  66  -3.731   6.184  -2.784
   74    HA   GLN  66           HA       GLN  66  -6.504   6.398  -1.977
   75   1HB   GLN  66          2HB       GLN  66  -4.073   8.259  -2.022
   76   2HB   GLN  66          1HB       GLN  66  -5.622   8.779  -1.436
   77   1HG   GLN  66          2HG       GLN  66  -5.563   7.099   0.369
   78   2HG   GLN  66          1HG       GLN  66  -4.165   6.310  -0.338
   79   1HE2  GLN  66          2HE2      GLN  66  -3.520   9.941   1.464
   80   2HE2  GLN  66          1HE2      GLN  66  -5.010   9.689   0.694
   81    H    LEU  67           H        LEU  67  -4.561   7.445  -4.590
   82    HA   LEU  67           HA       LEU  67  -6.542   9.241  -5.736
   83   1HB   LEU  67          2HB       LEU  67  -4.012   8.029  -6.923
   84   2HB   LEU  67          1HB       LEU  67  -5.041   9.172  -7.753
   85    HG   LEU  67           HG       LEU  67  -4.764  10.623  -5.565
   86   1HD1  LEU  67          3HD1      LEU  67  -2.251   8.928  -5.413
   87   2HD1  LEU  67          2HD1      LEU  67  -2.519  10.423  -4.539
   88   3HD1  LEU  67          1HD1      LEU  67  -3.520   9.038  -4.205
   89   1HD2  LEU  67          2HD2      LEU  67  -4.023  11.283  -7.817
   90   2HD2  LEU  67          1HD2      LEU  67  -2.850  11.779  -6.617
   91   3HD2  LEU  67          3HD2      LEU  67  -2.538  10.361  -7.621
   92    H    LEU  68           H        LEU  68  -5.208   6.034  -6.481
   93    HA   LEU  68           HA       LEU  68  -7.129   5.613  -8.612
   94   1HB   LEU  68          2HB       LEU  68  -6.624   3.225  -8.457
   95   2HB   LEU  68          1HB       LEU  68  -5.238   4.263  -8.667
   96    HG   LEU  68           HG       LEU  68  -5.219   4.218  -6.073
   97   1HD1  LEU  68          1HD1      LEU  68  -7.259   2.797  -5.773
   98   2HD1  LEU  68          3HD1      LEU  68  -6.510   1.542  -6.737
   99   3HD1  LEU  68          2HD1      LEU  68  -5.851   1.970  -5.166
  100   1HD2  LEU  68          1HD2      LEU  68  -4.222   2.007  -7.922
  101   2HD2  LEU  68          3HD2      LEU  68  -3.416   3.529  -7.571
  102   3HD2  LEU  68          2HD2      LEU  68  -3.535   2.299  -6.326
  103    H    PHE  69           H        PHE  69  -7.218   5.262  -5.148
  104    HA   PHE  69           HA       PHE  69  -9.540   3.615  -4.962
  105   1HB   PHE  69          2HB       PHE  69  -8.304   4.305  -2.893
  106   2HB   PHE  69          1HB       PHE  69  -8.758   5.977  -3.164
  107    HD1  PHE  69           HD2      PHE  69 -10.451   2.611  -2.966
  108    HD2  PHE  69           HD1      PHE  69 -10.563   6.730  -1.854
  109    HE1  PHE  69           HE2      PHE  69 -12.492   2.216  -1.679
  110    HE2  PHE  69           HE1      PHE  69 -12.607   6.318  -0.562
  111    HZ   PHE  69           HZ       PHE  69 -13.573   4.064  -0.472
  112    H    ILE  70           H        ILE  70  -9.249   7.060  -5.186
  113    HA   ILE  70           HA       ILE  70 -12.071   7.587  -5.336
  114    HB   ILE  70           HB       ILE  70  -9.660   9.211  -6.094
  115   1HG1  ILE  70          2HG1      ILE  70 -11.343   8.604  -3.653
  116   2HG1  ILE  70          1HG1      ILE  70  -9.652   9.004  -3.770
  117   1HG2  ILE  70          3HG2      ILE  70 -12.578  10.075  -5.978
  118   2HG2  ILE  70          2HG2      ILE  70 -11.208  11.158  -6.215
  119   3HG2  ILE  70          1HG2      ILE  70 -11.608   9.975  -7.438
  120   1HD1  ILE  70          1HD1      ILE  70 -10.251  11.373  -4.091
  121   2HD1  ILE  70          3HD1      ILE  70 -11.965  10.942  -3.973
  122   3HD1  ILE  70          2HD1      ILE  70 -10.906  10.710  -2.587
  123    H    HIS  71           H        HIS  71  -9.631   7.118  -7.762
  124    HA   HIS  71           HA       HIS  71 -11.370   7.688 -10.011
  125   1HB   HIS  71          2HB       HIS  71  -8.846   5.978  -9.897
  126   2HB   HIS  71          1HB       HIS  71  -9.611   6.545 -11.376
  127    HD1  HIS  71           HD1      HIS  71  -6.827   7.555 -10.902
  128    HD2  HIS  71           HD2      HIS  71 -10.191   9.504  -9.430
  129    HE1  HIS  71           HE1      HIS  71  -6.266   9.941 -10.472
  130    H    PHE  72           H        PHE  72 -10.884   4.759  -8.153
  131    HA   PHE  72           HA       PHE  72 -12.412   3.202 -10.122
  132   1HB   PHE  72          2HB       PHE  72 -10.444   2.582  -8.087
  133   2HB   PHE  72          1HB       PHE  72 -11.919   1.762  -7.626
  134    HD1  PHE  72           HD2      PHE  72 -13.177   0.562  -9.694
  135    HD2  PHE  72           HD1      PHE  72  -9.020   1.471  -9.559
  136    HE1  PHE  72           HE2      PHE  72 -12.740  -1.171 -11.384
  137    HE2  PHE  72           HE1      PHE  72  -8.583  -0.254 -11.241
  138    HZ   PHE  72           HZ       PHE  72 -10.440  -1.584 -12.158
  139    H    ARG  73           H        ARG  73 -12.551   4.470  -6.888
  140    HA   ARG  73           HA       ARG  73 -15.044   3.437  -6.161
  141   1HB   ARG  73          2HB       ARG  73 -13.478   4.650  -4.546
  142   2HB   ARG  73          1HB       ARG  73 -13.877   6.170  -5.324
  143   1HG   ARG  73          2HG       ARG  73 -15.222   6.015  -3.330
  144   2HG   ARG  73          1HG       ARG  73 -16.322   5.693  -4.657
  145   1HD   ARG  73          2HD       ARG  73 -16.003   3.209  -4.273
  146   2HD   ARG  73          1HD       ARG  73 -14.971   3.585  -2.901
  147    HE   ARG  73           HE       ARG  73 -17.047   4.808  -1.967
  148   1HH1  ARG  73          1HH2      ARG  73 -18.404   3.815  -4.593
  149   2HH1  ARG  73          2HH2      ARG  73 -19.407   2.553  -3.966
  150   1HH2  ARG  73          2HH1      ARG  73 -17.697   2.488  -0.889
  151   2HH2  ARG  73          1HH1      ARG  73 -18.993   1.782  -1.788
  152    H    ILE  74           H        ILE  74 -14.252   6.702  -7.361
  153    HA   ILE  74           HA       ILE  74 -16.945   7.435  -7.983
  154    HB   ILE  74           HB       ILE  74 -14.328   8.268  -9.388
  155   1HG1  ILE  74          2HG1      ILE  74 -15.974   9.613  -7.182
  156   2HG1  ILE  74          1HG1      ILE  74 -14.402   8.880  -6.977
  157   1HG2  ILE  74          1HG2      ILE  74 -16.332   8.672 -10.837
  158   2HG2  ILE  74          3HG2      ILE  74 -17.089   9.569  -9.535
  159   3HG2  ILE  74          2HG2      ILE  74 -15.640  10.182 -10.312
  160   1HD1  ILE  74          3HD1      ILE  74 -13.406  10.569  -8.548
  161   2HD1  ILE  74          2HD1      ILE  74 -14.976  11.338  -8.707
  162   3HD1  ILE  74          1HD1      ILE  74 -14.169  11.326  -7.159
  163    H    GLY  75           H        GLY  75 -14.420   5.778  -9.727
  164   1HA   GLY  75          2HA       GLY  75 -15.447   5.358 -12.249
  165   2HA   GLY  75          1HA       GLY  75 -14.496   4.150 -11.397
  166    H    CYS  76           H        CYS  76 -16.457   3.690  -9.291
  167    HA   CYS  76           HA       CYS  76 -18.466   2.197 -10.919
  168   1HB   CYS  76          2HB       CYS  76 -17.452   1.697  -8.113
  169   2HB   CYS  76          1HB       CYS  76 -18.641   0.711  -8.914
  170    HG   CYS  76           HG       CYS  76 -16.855  -0.469 -10.189
  171    H    ARG  77           H        ARG  77 -18.361   4.796  -9.254
  172    HA   ARG  77           HA       ARG  77 -20.899   4.642  -7.746
  173   1HB   ARG  77          2HB       ARG  77 -18.724   6.069  -7.202
  174   2HB   ARG  77          1HB       ARG  77 -19.413   7.233  -8.317
  175   1HG   ARG  77          2HG       ARG  77 -21.510   7.287  -6.932
  176   2HG   ARG  77          1HG       ARG  77 -20.809   6.104  -5.846
  177   1HD   ARG  77          2HD       ARG  77 -18.852   7.812  -5.542
  178   2HD   ARG  77          1HD       ARG  77 -19.934   8.990  -6.277
  179    HE   ARG  77           HE       ARG  77 -20.327   7.643  -3.658
  180   1HH1  ARG  77          1HH2      ARG  77 -22.935   7.937  -4.930
  181   2HH1  ARG  77          2HH2      ARG  77 -23.450   9.506  -4.408
  182   1HH2  ARG  77          2HH1      ARG  77 -20.199  10.464  -3.519
  183   2HH2  ARG  77          1HH1      ARG  77 -21.848  10.984  -3.572
  184    H    HIS  78           H        HIS  78 -19.831   5.231 -10.845
  185    HA   HIS  78           HA       HIS  78 -21.364   7.145 -12.048
  186   1HB   HIS  78          2HB       HIS  78 -21.221   5.722 -14.073
  187   2HB   HIS  78          1HB       HIS  78 -19.708   5.693 -13.207
  188    HD1  HIS  78           HD1      HIS  78 -18.829   3.373 -12.817
  189    HD2  HIS  78           HD2      HIS  78 -22.935   3.388 -13.382
  190    HE1  HIS  78           HE1      HIS  78 -19.652   1.030 -12.796
  191    H    SER  79           H        SER  79 -22.328   4.177 -10.842
  192    HA   SER  79           HA       SER  79 -24.971   4.511 -10.140
  193   1HB   SER  79          2HB       SER  79 -25.563   5.190 -12.469
  194   2HB   SER  79          1HB       SER  79 -24.971   3.678 -13.136
  195    HG   SER  79           HG       SER  79 -26.504   2.630 -11.734
  196    H    ARG  80           H        ARG  80 -22.638   2.866  -9.669
  197    HA   ARG  80           HA       ARG  80 -21.907   0.668  -9.432
  198   1HB   ARG  80          2HB       ARG  80 -23.266   1.447  -7.421
  199   2HB   ARG  80          1HB       ARG  80 -24.645   0.592  -8.076
  200   1HG   ARG  80          2HG       ARG  80 -23.586  -1.572  -7.776
  201   2HG   ARG  80          1HG       ARG  80 -22.005  -0.846  -7.555
  202   1HD   ARG  80          2HD       ARG  80 -22.924  -1.614  -5.403
  203   2HD   ARG  80          1HD       ARG  80 -22.792   0.143  -5.407
  204    HE   ARG  80           HE       ARG  80 -25.421  -0.923  -6.199
  205   1HH1  ARG  80          2HH1      ARG  80 -24.828   1.769  -5.095
  206   2HH1  ARG  80          1HH1      ARG  80 -25.382   1.672  -3.458
  207   1HH2  ARG  80          1HH2      ARG  80 -25.491  -1.850  -3.544
  208   2HH2  ARG  80          2HH2      ARG  80 -25.770  -0.471  -2.544
  209    H    ILE  81           H        ILE  81 -23.108   0.836 -11.973
  210    HA   ILE  81           HA       ILE  81 -25.023  -1.154 -12.579
  211    HB   ILE  81           HB       ILE  81 -22.582  -0.349 -14.262
  212   1HG1  ILE  81          2HG1      ILE  81 -23.954   1.618 -13.522
  213   2HG1  ILE  81          1HG1      ILE  81 -23.960   1.446 -15.258
  214   1HG2  ILE  81          2HG2      ILE  81 -25.254  -1.511 -15.174
  215   2HG2  ILE  81          1HG2      ILE  81 -23.960  -0.981 -16.235
  216   3HG2  ILE  81          3HG2      ILE  81 -23.717  -2.351 -15.169
  217   1HD1  ILE  81          2HD1      ILE  81 -26.259   0.389 -15.025
  218   2HD1  ILE  81          1HD1      ILE  81 -26.154   0.652 -13.286
  219   3HD1  ILE  81          3HD1      ILE  81 -26.181   2.018 -14.382
  220    H    GLY  82           H        GLY  82 -21.865  -1.292 -11.763
  221   1HA   GLY  82          2HA       GLY  82 -20.867  -3.808 -12.516
  222   2HA   GLY  82          1HA       GLY  82 -20.388  -2.983 -11.026
  223    H    VAL  83           H        VAL  83 -23.461  -3.158 -10.399
  224    HA   VAL  83           HA       VAL  83 -23.382  -5.201  -8.524
  225    HB   VAL  83           HB       VAL  83 -25.030  -3.337  -8.659
  226   1HG1  VAL  83          1HG1      VAL  83 -25.487  -3.323 -11.093
  227   2HG1  VAL  83          3HG1      VAL  83 -26.308  -4.866 -10.971
  228   3HG1  VAL  83          2HG1      VAL  83 -26.975  -3.449 -10.188
  229   1HG2  VAL  83          2HG2      VAL  83 -25.621  -5.255  -7.259
  230   2HG2  VAL  83          1HG2      VAL  83 -27.059  -4.562  -7.994
  231   3HG2  VAL  83          3HG2      VAL  83 -26.379  -6.057  -8.632
  232    H    THR  84           H        THR  84 -24.174  -5.382 -11.866
  233    HA   THR  84           HA       THR  84 -25.262  -8.072 -11.835
  234    HB   THR  84           HB       THR  84 -25.634  -6.659 -13.821
  235    HG1  THR  84           HG1      THR  84 -24.485  -9.150 -13.918
  236   1HG2  THR  84          2HG2      THR  84 -22.640  -6.954 -14.394
  237   2HG2  THR  84          1HG2      THR  84 -23.829  -6.170 -15.415
  238   3HG2  THR  84          3HG2      THR  84 -23.390  -5.451 -13.878
  239    H    ARG  85           H        ARG  85 -22.217  -6.871 -11.522
  240    HA   ARG  85           HA       ARG  85 -20.012  -7.693 -11.709
  241   1HB   ARG  85          2HB       ARG  85 -21.116  -7.991  -9.418
  242   2HB   ARG  85          1HB       ARG  85 -21.300  -9.687  -9.811
  243   1HG   ARG  85          2HG       ARG  85 -18.808  -9.885 -10.065
  244   2HG   ARG  85          1HG       ARG  85 -18.650  -8.166  -9.734
  245   1HD   ARG  85          2HD       ARG  85 -19.710  -8.525  -7.490
  246   2HD   ARG  85          1HD       ARG  85 -19.781 -10.253  -7.829
  247    HE   ARG  85           HE       ARG  85 -17.218  -8.710  -7.671
  248   1HH1  ARG  85          2HH1      ARG  85 -16.704 -11.243  -8.807
  249   2HH1  ARG  85          1HH1      ARG  85 -16.509 -12.315  -7.463
  250   1HH2  ARG  85          1HH2      ARG  85 -18.107 -10.099  -5.256
  251   2HH2  ARG  85          2HH2      ARG  85 -17.335 -11.645  -5.360
  252    H    GLN  86           HN       GLN  86 -21.324  -8.635 -13.880
  253    HA   GLN  86           HA       GLN  86 -21.051 -10.099 -15.655
  254   1HB   GLN  86          2HB       GLN  86 -18.600 -10.112 -14.714
  255   2HB   GLN  86          1HB       GLN  86 -19.008 -11.602 -13.902
  256   1HG   GLN  86          2HG       GLN  86 -19.161 -11.197 -16.924
  257   2HG   GLN  86          1HG       GLN  86 -17.876 -12.030 -16.075
  258   1HE2  GLN  86          2HE2      GLN  86 -20.009 -14.850 -15.279
  259   2HE2  GLN  86          1HE2      GLN  86 -18.833 -13.881 -14.521
   
  No H/Q in entry =         259
  Start of MODEL   19
    1   1H    ALA  59          2H        ALA  59   5.163   4.958   1.858
    2   2H    ALA  59          1H        ALA  59   4.778   4.814   3.497
    3   3H    ALA  59          3H        ALA  59   5.787   3.666   2.768
    4    HA   ALA  59           HA       ALA  59   4.051   2.413   2.257
    5   1HB   ALA  59          2HB       ALA  59   3.034   3.413   4.326
    6   2HB   ALA  59          1HB       ALA  59   2.370   4.722   3.360
    7   3HB   ALA  59          3HB       ALA  59   1.804   3.084   3.123
    8    H    ILE  60           H        ILE  60   5.106   3.946   0.183
    9    HA   ILE  60           HA       ILE  60   3.323   5.451  -1.425
   10    HB   ILE  60           HB       ILE  60   5.682   5.173  -1.890
   11   1HG1  ILE  60          2HG1      ILE  60   4.354   4.157  -4.391
   12   2HG1  ILE  60          1HG1      ILE  60   3.622   5.567  -3.652
   13   1HG2  ILE  60          2HG2      ILE  60   5.983   2.742  -1.487
   14   2HG2  ILE  60          1HG2      ILE  60   4.984   2.380  -2.894
   15   3HG2  ILE  60          3HG2      ILE  60   6.524   3.184  -3.090
   16   1HD1  ILE  60          1HD1      ILE  60   6.552   5.303  -4.340
   17   2HD1  ILE  60          3HD1      ILE  60   5.349   6.230  -5.239
   18   3HD1  ILE  60          2HD1      ILE  60   5.777   6.705  -3.601
   19    H    ILE  61           H        ILE  61   3.506   1.927  -1.120
   20    HA   ILE  61           HA       ILE  61   1.664   1.561  -3.179
   21    HB   ILE  61           HB       ILE  61   1.457  -0.768  -1.885
   22   1HG1  ILE  61          2HG1      ILE  61   2.775   0.313   0.100
   23   2HG1  ILE  61          1HG1      ILE  61   3.005  -1.343  -0.388
   24   1HG2  ILE  61          2HG2      ILE  61   3.896   0.104  -3.481
   25   2HG2  ILE  61          1HG2      ILE  61   3.464  -1.570  -3.159
   26   3HG2  ILE  61          3HG2      ILE  61   2.408  -0.559  -4.123
   27   1HD1  ILE  61          1HD1      ILE  61   4.831   0.900  -1.375
   28   2HD1  ILE  61          3HD1      ILE  61   5.186  -0.159  -0.025
   29   3HD1  ILE  61          2HD1      ILE  61   5.004  -0.805  -1.646
   30    H    ARG  62           H        ARG  62   0.975   3.140  -0.667
   31    HA   ARG  62           HA       ARG  62  -1.819   2.253  -0.473
   32   1HB   ARG  62          2HB       ARG  62   0.041   3.063   1.845
   33   2HB   ARG  62          1HB       ARG  62  -1.691   2.854   2.022
   34   1HG   ARG  62          2HG       ARG  62  -1.550   0.479   1.517
   35   2HG   ARG  62          1HG       ARG  62   0.140   0.613   1.056
   36   1HD   ARG  62          2HD       ARG  62  -0.246  -0.316   3.385
   37   2HD   ARG  62          1HD       ARG  62   0.827   1.074   3.325
   38    HE   ARG  62           HE       ARG  62  -2.070   1.250   4.099
   39   1HH1  ARG  62          2HH1      ARG  62  -1.221   3.876   3.681
   40   2HH1  ARG  62          1HH1      ARG  62  -0.411   4.360   5.133
   41   1HH2  ARG  62          1HH2      ARG  62   0.037   1.037   6.180
   42   2HH2  ARG  62          2HH2      ARG  62   0.341   2.683   6.610
   43    H    ILE  63           H        ILE  63   0.556   4.827  -0.016
   44    HA   ILE  63           HA       ILE  63  -1.339   6.824   0.323
   45    HB   ILE  63           HB       ILE  63   1.473   6.645  -0.700
   46   1HG1  ILE  63          2HG1      ILE  63   0.017   6.942   1.905
   47   2HG1  ILE  63          1HG1      ILE  63   1.561   6.223   1.557
   48   1HG2  ILE  63          3HG2      ILE  63  -0.104   9.167  -0.258
   49   2HG2  ILE  63          2HG2      ILE  63   1.641   9.054  -0.556
   50   3HG2  ILE  63          1HG2      ILE  63   0.507   8.558  -1.801
   51   1HD1  ILE  63          3HD1      ILE  63   2.574   8.467   1.444
   52   2HD1  ILE  63          2HD1      ILE  63   0.990   9.179   1.773
   53   3HD1  ILE  63          1HD1      ILE  63   1.765   8.174   2.987
   54    H    LEU  64           H        LEU  64   0.208   5.626  -2.678
   55    HA   LEU  64           HA       LEU  64  -1.225   7.464  -4.372
   56   1HB   LEU  64          2HB       LEU  64  -0.163   4.710  -5.156
   57   2HB   LEU  64          1HB       LEU  64  -0.540   6.018  -6.245
   58    HG   LEU  64           HG       LEU  64   1.641   6.092  -4.114
   59   1HD1  LEU  64          1HD1      LEU  64   1.799   5.904  -7.162
   60   2HD1  LEU  64          3HD1      LEU  64   3.176   6.059  -6.092
   61   3HD1  LEU  64          2HD1      LEU  64   2.192   4.614  -6.038
   62   1HD2  LEU  64          1HD2      LEU  64   0.941   8.149  -6.268
   63   2HD2  LEU  64          3HD2      LEU  64   0.701   8.375  -4.543
   64   3HD2  LEU  64          2HD2      LEU  64   2.317   8.235  -5.185
   65    H    GLN  65           H        GLN  65  -1.992   4.397  -3.078
   66    HA   GLN  65           HA       GLN  65  -4.128   3.629  -4.761
   67   1HB   GLN  65          2HB       GLN  65  -3.485   3.102  -1.829
   68   2HB   GLN  65          1HB       GLN  65  -4.796   2.327  -2.664
   69   1HG   GLN  65          2HG       GLN  65  -2.535   1.000  -2.656
   70   2HG   GLN  65          1HG       GLN  65  -3.346   1.167  -4.193
   71   1HE2  GLN  65          2HE2      GLN  65   0.082   3.399  -3.656
   72   2HE2  GLN  65          1HE2      GLN  65  -0.904   3.089  -2.319
   73    H    GLN  66           H        GLN  66  -3.975   6.148  -2.409
   74    HA   GLN  66           HA       GLN  66  -6.813   6.266  -1.960
   75   1HB   GLN  66          2HB       GLN  66  -4.524   8.226  -1.559
   76   2HB   GLN  66          1HB       GLN  66  -6.165   8.517  -1.060
   77   1HG   GLN  66          2HG       GLN  66  -5.969   6.197   0.202
   78   2HG   GLN  66          1HG       GLN  66  -4.239   6.398  -0.024
   79   1HE2  GLN  66          2HE2      GLN  66  -4.169   9.282   2.178
   80   2HE2  GLN  66          1HE2      GLN  66  -3.417   8.705   0.758
   81    H    LEU  67           H        LEU  67  -4.658   7.470  -4.390
   82    HA   LEU  67           HA       LEU  67  -6.587   9.404  -5.445
   83   1HB   LEU  67          2HB       LEU  67  -3.975   8.384  -6.624
   84   2HB   LEU  67          1HB       LEU  67  -4.992   9.610  -7.345
   85    HG   LEU  67           HG       LEU  67  -4.805  10.740  -4.921
   86   1HD1  LEU  67          1HD1      LEU  67  -2.237   9.150  -5.078
   87   2HD1  LEU  67          3HD1      LEU  67  -2.589  10.422  -3.923
   88   3HD1  LEU  67          2HD1      LEU  67  -3.496   8.931  -3.873
   89   1HD2  LEU  67          2HD2      LEU  67  -2.583  10.879  -7.011
   90   2HD2  LEU  67          1HD2      LEU  67  -4.082  11.795  -7.043
   91   3HD2  LEU  67          3HD2      LEU  67  -2.907  12.083  -5.773
   92    H    LEU  68           H        LEU  68  -5.239   6.294  -6.139
   93    HA   LEU  68           HA       LEU  68  -6.727   5.813  -8.581
   94   1HB   LEU  68          2HB       LEU  68  -5.847   3.665  -6.548
   95   2HB   LEU  68          1HB       LEU  68  -6.047   3.435  -8.269
   96    HG   LEU  68           HG       LEU  68  -3.876   5.159  -6.975
   97   1HD1  LEU  68          1HD1      LEU  68  -3.485   2.718  -6.687
   98   2HD1  LEU  68          3HD1      LEU  68  -3.667   2.487  -8.415
   99   3HD1  LEU  68          2HD1      LEU  68  -2.322   3.422  -7.782
  100   1HD2  LEU  68          3HD2      LEU  68  -4.315   4.448  -9.908
  101   2HD2  LEU  68          2HD2      LEU  68  -4.555   6.042  -9.215
  102   3HD2  LEU  68          1HD2      LEU  68  -2.951   5.349  -9.270
  103    H    PHE  69           H        PHE  69  -7.259   5.363  -5.216
  104    HA   PHE  69           HA       PHE  69  -9.694   3.910  -5.267
  105   1HB   PHE  69          2HB       PHE  69  -8.580   4.540  -3.097
  106   2HB   PHE  69          1HB       PHE  69  -8.941   6.232  -3.399
  107    HD1  PHE  69           HD2      PHE  69 -10.529   2.915  -2.795
  108    HD2  PHE  69           HD1      PHE  69 -11.072   7.140  -2.844
  109    HE1  PHE  69           HE2      PHE  69 -12.729   2.651  -1.728
  110    HE2  PHE  69           HE1      PHE  69 -13.264   6.873  -1.777
  111    HZ   PHE  69           HZ       PHE  69 -14.094   4.630  -1.215
  112    H    ILE  70           H        ILE  70  -9.056   7.280  -5.717
  113    HA   ILE  70           HA       ILE  70 -11.799   8.042  -6.049
  114    HB   ILE  70           HB       ILE  70  -9.265   9.441  -6.858
  115   1HG1  ILE  70          2HG1      ILE  70 -10.927   9.011  -4.357
  116   2HG1  ILE  70          1HG1      ILE  70  -9.213   9.233  -4.538
  117   1HG2  ILE  70          2HG2      ILE  70 -11.278  10.278  -8.122
  118   2HG2  ILE  70          1HG2      ILE  70 -12.107  10.493  -6.593
  119   3HG2  ILE  70          3HG2      ILE  70 -10.687  11.455  -6.977
  120   1HD1  ILE  70          1HD1      ILE  70  -9.567  11.643  -4.907
  121   2HD1  ILE  70          3HD1      ILE  70 -11.307  11.383  -4.734
  122   3HD1  ILE  70          2HD1      ILE  70 -10.247  11.094  -3.369
  123    H    HIS  71           H        HIS  71  -9.236   7.586  -8.396
  124    HA   HIS  71           HA       HIS  71 -11.124   7.867 -10.615
  125   1HB   HIS  71          2HB       HIS  71  -8.225   6.875 -10.501
  126   2HB   HIS  71          1HB       HIS  71  -9.134   6.931 -12.006
  127    HD1  HIS  71           HD1      HIS  71  -7.363   8.774 -12.743
  128    HD2  HIS  71           HD2      HIS  71  -9.892   9.865  -9.635
  129    HE1  HIS  71           HE1      HIS  71  -7.280  11.252 -12.454
  130    H    PHE  72           H        PHE  72 -10.562   5.238  -8.623
  131    HA   PHE  72           HA       PHE  72 -11.558   3.381 -10.694
  132   1HB   PHE  72          2HB       PHE  72  -9.451   2.761  -9.438
  133   2HB   PHE  72          1HB       PHE  72 -10.365   2.775  -7.941
  134    HD1  PHE  72           HD2      PHE  72 -10.191   1.153 -11.300
  135    HD2  PHE  72           HD1      PHE  72 -11.650   0.857  -7.306
  136    HE1  PHE  72           HE2      PHE  72 -10.904  -1.154 -11.731
  137    HE2  PHE  72           HE1      PHE  72 -12.365  -1.452  -7.743
  138    HZ   PHE  72           HZ       PHE  72 -11.994  -2.461  -9.954
  139    H    ARG  73           H        ARG  73 -12.304   4.917  -7.607
  140    HA   ARG  73           HA       ARG  73 -14.668   3.235  -7.314
  141   1HB   ARG  73          2HB       ARG  73 -13.327   4.129  -5.322
  142   2HB   ARG  73          1HB       ARG  73 -13.924   5.732  -5.708
  143   1HG   ARG  73          2HG       ARG  73 -15.310   4.843  -3.946
  144   2HG   ARG  73          1HG       ARG  73 -16.284   4.835  -5.399
  145   1HD   ARG  73          2HD       ARG  73 -15.918   2.415  -5.701
  146   2HD   ARG  73          1HD       ARG  73 -14.748   2.393  -4.383
  147    HE   ARG  73           HE       ARG  73 -17.413   3.373  -3.641
  148   1HH1  ARG  73          1HH2      ARG  73 -15.706   2.197  -1.651
  149   2HH1  ARG  73          2HH2      ARG  73 -16.294   0.582  -1.460
  150   1HH2  ARG  73          2HH1      ARG  73 -18.012   0.664  -4.512
  151   2HH2  ARG  73          1HH1      ARG  73 -17.652  -0.307  -3.127
  152    H    ILE  74           H        ILE  74 -13.948   6.679  -8.007
  153    HA   ILE  74           HA       ILE  74 -16.616   7.560  -8.273
  154    HB   ILE  74           HB       ILE  74 -14.085   8.405  -9.775
  155   1HG1  ILE  74          2HG1      ILE  74 -15.655   9.504  -7.381
  156   2HG1  ILE  74          1HG1      ILE  74 -14.035   8.846  -7.357
  157   1HG2  ILE  74          3HG2      ILE  74 -16.070   9.031 -11.172
  158   2HG2  ILE  74          2HG2      ILE  74 -16.776   9.843  -9.786
  159   3HG2  ILE  74          1HG2      ILE  74 -15.295  10.444 -10.516
  160   1HD1  ILE  74          1HD1      ILE  74 -13.277  10.779  -8.795
  161   2HD1  ILE  74          3HD1      ILE  74 -14.901  11.440  -8.726
  162   3HD1  ILE  74          2HD1      ILE  74 -13.960  11.311  -7.266
  163    H    GLY  75           H        GLY  75 -14.630   5.820 -10.622
  164   1HA   GLY  75          2HA       GLY  75 -16.518   6.053 -12.785
  165   2HA   GLY  75          1HA       GLY  75 -15.295   4.794 -12.677
  166    H    CYS  76           H        CYS  76 -16.717   4.076  -9.973
  167    HA   CYS  76           HA       CYS  76 -18.847   2.484 -11.293
  168   1HB   CYS  76          2HB       CYS  76 -17.300   1.913  -8.751
  169   2HB   CYS  76          1HB       CYS  76 -18.499   0.857  -9.442
  170    HG   CYS  76           HG       CYS  76 -16.859   0.034 -11.149
  171    H    ARG  77           H        ARG  77 -18.486   4.903  -9.362
  172    HA   ARG  77           HA       ARG  77 -20.605   4.478  -7.409
  173   1HB   ARG  77          2HB       ARG  77 -18.876   6.811  -8.167
  174   2HB   ARG  77          1HB       ARG  77 -20.423   7.230  -7.456
  175   1HG   ARG  77          2HG       ARG  77 -19.884   5.617  -5.546
  176   2HG   ARG  77          1HG       ARG  77 -18.272   5.461  -6.226
  177   1HD   ARG  77          2HD       ARG  77 -17.797   7.817  -5.862
  178   2HD   ARG  77          1HD       ARG  77 -19.487   8.166  -5.495
  179    HE   ARG  77           HE       ARG  77 -18.179   6.212  -3.718
  180   1HH1  ARG  77          2HH1      ARG  77 -20.571   8.008  -3.193
  181   2HH1  ARG  77          1HH1      ARG  77 -19.931   9.139  -2.047
  182   1HH2  ARG  77          1HH2      ARG  77 -16.613   8.216  -2.842
  183   2HH2  ARG  77          2HH2      ARG  77 -17.571   9.263  -1.845
  184    H    HIS  78           H        HIS  78 -20.460   5.786 -10.585
  185    HA   HIS  78           HA       HIS  78 -22.884   7.180 -10.678
  186   1HB   HIS  78          2HB       HIS  78 -22.810   6.818 -13.049
  187   2HB   HIS  78          1HB       HIS  78 -21.159   7.003 -12.523
  188    HD1  HIS  78           HD1      HIS  78 -22.648   5.194 -14.919
  189    HD2  HIS  78           HD2      HIS  78 -20.427   3.985 -11.629
  190    HE1  HIS  78           HE1      HIS  78 -21.716   2.924 -15.353
  191    H    SER  79           H        SER  79 -22.419   3.703 -10.690
  192    HA   SER  79           HA       SER  79 -25.278   3.344 -10.118
  193   1HB   SER  79          2HB       SER  79 -24.023   2.695 -12.772
  194   2HB   SER  79          1HB       SER  79 -25.268   1.631 -12.144
  195    HG   SER  79           HG       SER  79 -25.747   4.378 -11.916
  196    H    ARG  80           H        ARG  80 -22.705   2.734  -8.915
  197    HA   ARG  80           HA       ARG  80 -21.583   1.117  -7.773
  198   1HB   ARG  80          2HB       ARG  80 -23.928   1.234  -6.721
  199   2HB   ARG  80          1HB       ARG  80 -24.351  -0.152  -7.686
  200   1HG   ARG  80          2HG       ARG  80 -23.721  -1.155  -5.614
  201   2HG   ARG  80          1HG       ARG  80 -22.227  -1.287  -6.512
  202   1HD   ARG  80          2HD       ARG  80 -21.666  -0.371  -4.336
  203   2HD   ARG  80          1HD       ARG  80 -21.514   0.960  -5.483
  204    HE   ARG  80           HE       ARG  80 -24.004   0.521  -3.875
  205   1HH1  ARG  80          1HH2      ARG  80 -24.692   2.580  -5.437
  206   2HH1  ARG  80          2HH2      ARG  80 -24.050   4.028  -4.743
  207   1HH2  ARG  80          2HH1      ARG  80 -21.694   2.219  -2.822
  208   2HH2  ARG  80          1HH1      ARG  80 -22.262   3.811  -3.181
  209    H    ILE  81           H        ILE  81 -21.196   0.786 -10.337
  210    HA   ILE  81           HA       ILE  81 -21.892  -1.684 -11.531
  211    HB   ILE  81           HB       ILE  81 -19.795   0.443 -11.933
  212   1HG1  ILE  81          2HG1      ILE  81 -20.759   0.569 -14.156
  213   2HG1  ILE  81          1HG1      ILE  81 -21.562  -0.967 -13.955
  214   1HG2  ILE  81          2HG2      ILE  81 -19.461  -2.200 -13.399
  215   2HG2  ILE  81          1HG2      ILE  81 -18.605  -0.702 -13.750
  216   3HG2  ILE  81          3HG2      ILE  81 -18.338  -1.532 -12.230
  217   1HD1  ILE  81          2HD1      ILE  81 -22.189   1.515 -12.309
  218   2HD1  ILE  81          1HD1      ILE  81 -23.129   0.923 -13.670
  219   3HD1  ILE  81          3HD1      ILE  81 -23.040  -0.012 -12.194
  220    H    GLY  82           H        GLY  82 -19.949  -1.303  -8.947
  221   1HA   GLY  82          2HA       GLY  82 -18.221  -3.613  -9.362
  222   2HA   GLY  82          1HA       GLY  82 -18.355  -2.734  -7.854
  223    H    VAL  83           H        VAL  83 -20.678  -2.997  -6.996
  224    HA   VAL  83           HA       VAL  83 -21.102  -5.856  -6.551
  225    HB   VAL  83           HB       VAL  83 -22.262  -3.389  -5.177
  226   1HG1  VAL  83          3HG1      VAL  83 -22.143  -6.274  -4.301
  227   2HG1  VAL  83          2HG1      VAL  83 -22.743  -4.924  -3.337
  228   3HG1  VAL  83          1HG1      VAL  83 -23.589  -5.407  -4.801
  229   1HG2  VAL  83          1HG2      VAL  83 -19.873  -5.140  -4.408
  230   2HG2  VAL  83          3HG2      VAL  83 -19.763  -3.485  -4.967
  231   3HG2  VAL  83          2HG2      VAL  83 -20.524  -3.839  -3.429
  232    H    THR  84           H        THR  84 -22.519  -3.285  -8.181
  233    HA   THR  84           HA       THR  84 -24.391  -2.860  -9.389
  234    HB   THR  84           HB       THR  84 -25.232  -4.825 -10.765
  235    HG1  THR  84           HG1      THR  84 -24.206  -6.265  -8.800
  236   1HG2  THR  84          1HG2      THR  84 -23.135  -3.541 -11.437
  237   2HG2  THR  84          3HG2      THR  84 -22.168  -4.653 -10.484
  238   3HG2  THR  84          2HG2      THR  84 -23.041  -5.231 -11.894
  239    H    ARG  85           H        ARG  85 -24.887  -4.690  -6.654
  240    HA   ARG  85           HA       ARG  85 -27.736  -5.144  -6.960
  241   1HB   ARG  85          2HB       ARG  85 -25.995  -6.382  -5.439
  242   2HB   ARG  85          1HB       ARG  85 -26.164  -5.039  -4.337
  243   1HG   ARG  85          2HG       ARG  85 -28.429  -6.862  -5.271
  244   2HG   ARG  85          1HG       ARG  85 -27.616  -6.964  -3.723
  245   1HD   ARG  85          2HD       ARG  85 -28.448  -4.656  -3.149
  246   2HD   ARG  85          1HD       ARG  85 -29.320  -4.624  -4.683
  247    HE   ARG  85           HE       ARG  85 -30.939  -5.995  -3.742
  248   1HH1  ARG  85          2HH1      ARG  85 -30.331  -8.420  -3.038
  249   2HH1  ARG  85          1HH1      ARG  85 -29.978  -8.487  -1.347
  250   1HH2  ARG  85          1HH2      ARG  85 -29.433  -5.018  -1.167
  251   2HH2  ARG  85          2HH2      ARG  85 -29.442  -6.480  -0.241
  252    H    GLN  86           HN       GLN  86 -28.045  -2.872  -7.756
  253    HA   GLN  86           HA       GLN  86 -27.878  -0.710  -5.779
  254   1HB   GLN  86          2HB       GLN  86 -28.802  -0.953  -8.645
  255   2HB   GLN  86          1HB       GLN  86 -29.510   0.353  -7.722
  256   1HG   GLN  86          2HG       GLN  86 -26.498  -0.114  -7.918
  257   2HG   GLN  86          1HG       GLN  86 -27.358   0.997  -8.961
  258   1HE2  GLN  86          2HE2      GLN  86 -28.199   3.146  -6.077
  259   2HE2  GLN  86          1HE2      GLN  86 -29.049   2.409  -7.342
   
  No H/Q in entry =         259
  Start of MODEL   20
    1   1H    ALA  59          2H        ALA  59   5.596   4.664   0.762
    2   2H    ALA  59          1H        ALA  59   5.395   5.238   2.340
    3   3H    ALA  59          3H        ALA  59   6.038   3.693   2.087
    4    HA   ALA  59           HA       ALA  59   4.028   2.808   2.177
    5   1HB   ALA  59          2HB       ALA  59   3.495   4.755   3.690
    6   2HB   ALA  59          1HB       ALA  59   3.006   5.697   2.287
    7   3HB   ALA  59          3HB       ALA  59   2.091   4.276   2.749
    8    H    ILE  60           H        ILE  60   5.122   3.133  -0.340
    9    HA   ILE  60           HA       ILE  60   3.592   4.241  -2.415
   10    HB   ILE  60           HB       ILE  60   4.843   1.451  -2.445
   11   1HG1  ILE  60          2HG1      ILE  60   6.566   3.035  -1.672
   12   2HG1  ILE  60          1HG1      ILE  60   6.896   2.566  -3.314
   13   1HG2  ILE  60          3HG2      ILE  60   4.300   3.393  -4.736
   14   2HG2  ILE  60          2HG2      ILE  60   5.137   1.859  -4.880
   15   3HG2  ILE  60          1HG2      ILE  60   3.446   1.895  -4.434
   16   1HD1  ILE  60          1HD1      ILE  60   5.920   4.696  -4.164
   17   2HD1  ILE  60          3HD1      ILE  60   5.554   5.191  -2.520
   18   3HD1  ILE  60          2HD1      ILE  60   7.217   4.999  -3.028
   19    H    ILE  61           H        ILE  61   3.016   1.122  -0.900
   20    HA   ILE  61           HA       ILE  61   0.767   0.634  -2.472
   21    HB   ILE  61           HB       ILE  61   0.304  -0.895  -0.231
   22   1HG1  ILE  61          2HG1      ILE  61   2.371   0.283   0.836
   23   2HG1  ILE  61          1HG1      ILE  61   2.091  -1.421   1.012
   24   1HG2  ILE  61          2HG2      ILE  61   2.268  -1.507  -2.469
   25   2HG2  ILE  61          1HG2      ILE  61   1.571  -2.712  -1.393
   26   3HG2  ILE  61          3HG2      ILE  61   0.541  -1.804  -2.483
   27   1HD1  ILE  61          3HD1      ILE  61   4.018  -0.293  -1.110
   28   2HD1  ILE  61          2HD1      ILE  61   4.490  -0.934   0.453
   29   3HD1  ILE  61          1HD1      ILE  61   3.724  -1.966  -0.732
   30    H    ARG  62           H        ARG  62   0.850   3.141  -0.760
   31    HA   ARG  62           HA       ARG  62  -2.005   3.119  -0.085
   32   1HB   ARG  62          2HB       ARG  62  -0.337   2.831   2.013
   33   2HB   ARG  62          1HB       ARG  62   0.070   4.506   1.705
   34   1HG   ARG  62          2HG       ARG  62  -2.305   5.165   1.958
   35   2HG   ARG  62          1HG       ARG  62  -2.754   3.485   2.194
   36   1HD   ARG  62          2HD       ARG  62  -1.202   3.454   4.230
   37   2HD   ARG  62          1HD       ARG  62  -1.040   5.202   4.035
   38    HE   ARG  62           HE       ARG  62  -3.802   4.225   4.095
   39   1HH1  ARG  62          1HH2      ARG  62  -3.167   6.917   4.891
   40   2HH1  ARG  62          2HH2      ARG  62  -3.216   6.883   6.623
   41   1HH2  ARG  62          2HH1      ARG  62  -2.907   3.363   6.653
   42   2HH2  ARG  62          1HH1      ARG  62  -3.054   4.746   7.683
   43    H    ILE  63           H        ILE  63   0.908   4.905  -0.803
   44    HA   ILE  63           HA       ILE  63  -0.348   7.368  -1.087
   45    HB   ILE  63           HB       ILE  63   2.127   6.021  -2.110
   46   1HG1  ILE  63          2HG1      ILE  63   1.238   7.673   0.221
   47   2HG1  ILE  63          1HG1      ILE  63   2.485   6.462   0.110
   48   1HG2  ILE  63          2HG2      ILE  63   1.362   8.878  -2.668
   49   2HG2  ILE  63          1HG2      ILE  63   2.942   8.137  -2.971
   50   3HG2  ILE  63          3HG2      ILE  63   1.532   7.579  -3.851
   51   1HD1  ILE  63          2HD1      ILE  63   3.971   8.101  -0.964
   52   2HD1  ILE  63          1HD1      ILE  63   2.689   9.312  -0.844
   53   3HD1  ILE  63          3HD1      ILE  63   3.404   8.648   0.617
   54    H    LEU  64           H        LEU  64   0.304   4.821  -3.515
   55    HA   LEU  64           HA       LEU  64  -0.939   6.308  -5.659
   56   1HB   LEU  64          2HB       LEU  64  -0.689   3.272  -5.460
   57   2HB   LEU  64          1HB       LEU  64  -0.917   4.201  -6.915
   58    HG   LEU  64           HG       LEU  64   1.568   4.411  -5.132
   59   1HD1  LEU  64          2HD1      LEU  64   1.171   3.033  -7.826
   60   2HD1  LEU  64          1HD1      LEU  64   2.688   3.194  -6.965
   61   3HD1  LEU  64          3HD1      LEU  64   1.402   2.220  -6.286
   62   1HD2  LEU  64          2HD2      LEU  64   0.986   5.570  -7.907
   63   2HD2  LEU  64          1HD2      LEU  64   1.098   6.511  -6.428
   64   3HD2  LEU  64          3HD2      LEU  64   2.513   5.687  -7.046
   65    H    GLN  65           H        GLN  65  -2.128   4.138  -3.303
   66    HA   GLN  65           HA       GLN  65  -4.635   3.427  -4.359
   67   1HB   GLN  65          2HB       GLN  65  -3.598   3.755  -1.522
   68   2HB   GLN  65          1HB       GLN  65  -5.153   3.073  -1.892
   69   1HG   GLN  65          2HG       GLN  65  -3.231   1.331  -1.635
   70   2HG   GLN  65          1HG       GLN  65  -4.233   1.173  -3.053
   71   1HE2  GLN  65          2HE2      GLN  65  -0.380   2.495  -3.627
   72   2HE2  GLN  65          1HE2      GLN  65  -1.132   2.881  -2.162
   73    H    GLN  66           H        GLN  66  -3.692   6.492  -3.123
   74    HA   GLN  66           HA       GLN  66  -6.323   7.361  -2.368
   75   1HB   GLN  66          2HB       GLN  66  -3.689   8.728  -2.959
   76   2HB   GLN  66          1HB       GLN  66  -5.126   9.632  -2.631
   77   1HG   GLN  66          2HG       GLN  66  -5.290   8.221  -0.426
   78   2HG   GLN  66          1HG       GLN  66  -3.627   7.749  -0.772
   79   1HE2  GLN  66          2HE2      GLN  66  -2.567  10.821   0.679
   80   2HE2  GLN  66          1HE2      GLN  66  -2.315   9.139   0.572
   81    H    LEU  67           H        LEU  67  -4.492   7.318  -5.276
   82    HA   LEU  67           HA       LEU  67  -6.208   9.170  -6.736
   83   1HB   LEU  67          2HB       LEU  67  -4.093   7.220  -7.719
   84   2HB   LEU  67          1HB       LEU  67  -4.947   8.374  -8.719
   85    HG   LEU  67           HG       LEU  67  -4.140  10.157  -6.931
   86   1HD1  LEU  67          1HD1      LEU  67  -2.064   7.981  -6.477
   87   2HD1  LEU  67          3HD1      LEU  67  -1.942   9.642  -5.934
   88   3HD1  LEU  67          2HD1      LEU  67  -3.161   8.605  -5.262
   89   1HD2  LEU  67          3HD2      LEU  67  -2.233   8.922  -8.935
   90   2HD2  LEU  67          2HD2      LEU  67  -3.458  10.140  -9.266
   91   3HD2  LEU  67          1HD2      LEU  67  -2.094  10.531  -8.239
   92    H    LEU  68           H        LEU  68  -5.554   5.788  -6.543
   93    HA   LEU  68           HA       LEU  68  -7.614   4.925  -8.385
   94   1HB   LEU  68          2HB       LEU  68  -6.606   3.381  -5.913
   95   2HB   LEU  68          1HB       LEU  68  -7.259   2.662  -7.365
   96    HG   LEU  68           HG       LEU  68  -4.632   4.193  -7.174
   97   1HD1  LEU  68          2HD1      LEU  68  -5.166   1.216  -7.594
   98   2HD1  LEU  68          1HD1      LEU  68  -3.588   1.983  -7.622
   99   3HD1  LEU  68          3HD1      LEU  68  -4.504   1.939  -6.138
  100   1HD2  LEU  68          2HD2      LEU  68  -5.880   2.729  -9.558
  101   2HD2  LEU  68          1HD2      LEU  68  -5.679   4.468  -9.426
  102   3HD2  LEU  68          3HD2      LEU  68  -4.276   3.434  -9.536
  103    H    PHE  69           H        PHE  69  -7.473   5.559  -5.012
  104    HA   PHE  69           HA       PHE  69 -10.048   4.674  -4.229
  105   1HB   PHE  69          2HB       PHE  69  -8.538   5.624  -2.505
  106   2HB   PHE  69          1HB       PHE  69  -8.547   7.179  -3.316
  107    HD1  PHE  69           HD2      PHE  69 -11.158   4.756  -2.062
  108    HD2  PHE  69           HD1      PHE  69  -9.848   8.812  -2.283
  109    HE1  PHE  69           HE2      PHE  69 -13.095   5.463  -0.744
  110    HE2  PHE  69           HE1      PHE  69 -11.791   9.507  -0.963
  111    HZ   PHE  69           HZ       PHE  69 -13.418   7.838  -0.189
  112    H    ILE  70           H        ILE  70  -9.068   7.703  -5.566
  113    HA   ILE  70           HA       ILE  70 -11.672   8.863  -5.775
  114    HB   ILE  70           HB       ILE  70  -9.061   9.507  -7.057
  115   1HG1  ILE  70          2HG1      ILE  70 -10.770  10.321  -4.631
  116   2HG1  ILE  70          1HG1      ILE  70  -9.128   9.728  -4.634
  117   1HG2  ILE  70          3HG2      ILE  70 -10.973  10.364  -8.499
  118   2HG2  ILE  70          2HG2      ILE  70 -11.649  11.140  -7.071
  119   3HG2  ILE  70          1HG2      ILE  70 -10.101  11.658  -7.717
  120   1HD1  ILE  70          3HD1      ILE  70  -8.415  11.775  -5.735
  121   2HD1  ILE  70          2HD1      ILE  70 -10.093  12.351  -5.679
  122   3HD1  ILE  70          1HD1      ILE  70  -9.222  12.057  -4.177
  123    H    HIS  71           H        HIS  71  -9.681   7.175  -8.080
  124    HA   HIS  71           HA       HIS  71 -11.499   7.489 -10.296
  125   1HB   HIS  71          2HB       HIS  71  -9.382   5.330  -9.852
  126   2HB   HIS  71          1HB       HIS  71 -10.115   5.742 -11.399
  127    HD1  HIS  71           HD1      HIS  71  -7.052   6.140 -10.855
  128    HD2  HIS  71           HD2      HIS  71  -9.968   9.098 -10.536
  129    HE1  HIS  71           HE1      HIS  71  -5.987   8.372 -11.115
  130    H    PHE  72           H        PHE  72 -11.366   5.069  -7.777
  131    HA   PHE  72           HA       PHE  72 -13.424   3.495  -9.162
  132   1HB   PHE  72          2HB       PHE  72 -11.806   3.003  -6.608
  133   2HB   PHE  72          1HB       PHE  72 -13.101   1.938  -7.140
  134    HD1  PHE  72           HD1      PHE  72 -12.942   1.138  -9.649
  135    HD2  PHE  72           HD2      PHE  72  -9.605   2.559  -7.416
  136    HE1  PHE  72           HE1      PHE  72 -11.437   0.005 -11.189
  137    HE2  PHE  72           HE2      PHE  72  -8.086   1.420  -8.972
  138    HZ   PHE  72           HZ       PHE  72  -8.983   0.145 -10.859
  139    H    ARG  73           H        ARG  73 -12.915   5.637  -6.414
  140    HA   ARG  73           HA       ARG  73 -15.454   5.039  -5.279
  141   1HB   ARG  73          2HB       ARG  73 -13.710   6.274  -3.959
  142   2HB   ARG  73          1HB       ARG  73 -13.804   7.635  -5.064
  143   1HG   ARG  73          2HG       ARG  73 -16.294   6.675  -3.608
  144   2HG   ARG  73          1HG       ARG  73 -15.118   7.626  -2.733
  145   1HD   ARG  73          2HD       ARG  73 -16.477   8.559  -5.322
  146   2HD   ARG  73          1HD       ARG  73 -16.930   9.043  -3.701
  147    HE   ARG  73           HE       ARG  73 -14.440   9.824  -5.108
  148   1HH1  ARG  73          1HH2      ARG  73 -13.631   9.296  -2.421
  149   2HH1  ARG  73          2HH2      ARG  73 -13.978  10.747  -1.547
  150   1HH2  ARG  73          2HH1      ARG  73 -16.178  11.886  -4.065
  151   2HH2  ARG  73          1HH1      ARG  73 -15.500  12.290  -2.527
  152    H    ILE  74           H        ILE  74 -14.263   7.562  -7.425
  153    HA   ILE  74           HA       ILE  74 -16.901   8.649  -7.959
  154    HB   ILE  74           HB       ILE  74 -14.265   8.873  -9.515
  155   1HG1  ILE  74          2HG1      ILE  74 -15.595  10.712  -7.467
  156   2HG1  ILE  74          1HG1      ILE  74 -14.147   9.761  -7.206
  157   1HG2  ILE  74          3HG2      ILE  74 -16.193   9.408 -10.985
  158   2HG2  ILE  74          2HG2      ILE  74 -16.778  10.566  -9.807
  159   3HG2  ILE  74          1HG2      ILE  74 -15.260  10.839 -10.650
  160   1HD1  ILE  74          2HD1      ILE  74 -12.996  11.035  -9.023
  161   2HD1  ILE  74          1HD1      ILE  74 -14.421  12.042  -9.208
  162   3HD1  ILE  74          3HD1      ILE  74 -13.523  12.080  -7.710
  163    H    GLY  75           H        GLY  75 -14.714   6.519  -9.785
  164   1HA   GLY  75          2HA       GLY  75 -16.382   6.076 -12.008
  165   2HA   GLY  75          1HA       GLY  75 -15.174   4.943 -11.435
  166    H    CYS  76           H        CYS  76 -16.154   3.877  -9.181
  167    HA   CYS  76           HA       CYS  76 -18.252   2.262 -10.234
  168   1HB   CYS  76          2HB       CYS  76 -17.218   2.498  -7.375
  169   2HB   CYS  76          1HB       CYS  76 -18.243   1.203  -7.922
  170    HG   CYS  76           HG       CYS  76 -16.316   0.074  -9.035
  171    H    ARG  77           H        ARG  77 -18.521   5.122  -9.003
  172    HA   ARG  77           HA       ARG  77 -21.114   4.708  -7.655
  173   1HB   ARG  77          2HB       ARG  77 -19.355   6.487  -7.051
  174   2HB   ARG  77          1HB       ARG  77 -19.796   7.349  -8.503
  175   1HG   ARG  77          2HG       ARG  77 -22.094   7.668  -7.689
  176   2HG   ARG  77          1HG       ARG  77 -21.740   6.727  -6.245
  177   1HD   ARG  77          2HD       ARG  77 -19.974   8.379  -5.607
  178   2HD   ARG  77          1HD       ARG  77 -20.342   9.322  -7.047
  179    HE   ARG  77           HE       ARG  77 -22.209   8.907  -4.746
  180   1HH1  ARG  77          1HH2      ARG  77 -23.929   9.539  -6.789
  181   2HH1  ARG  77          2HH2      ARG  77 -23.879  11.254  -6.994
  182   1HH2  ARG  77          2HH1      ARG  77 -20.809  11.490  -5.279
  183   2HH2  ARG  77          1HH1      ARG  77 -22.028  12.423  -6.084
  184    H    HIS  78           H        HIS  78 -19.982   5.333 -10.753
  185    HA   HIS  78           HA       HIS  78 -22.342   6.604 -11.838
  186   1HB   HIS  78          2HB       HIS  78 -21.003   6.655 -13.720
  187   2HB   HIS  78          1HB       HIS  78 -19.779   5.750 -12.850
  188    HD1  HIS  78           HD1      HIS  78 -22.437   5.347 -15.402
  189    HD2  HIS  78           HD2      HIS  78 -19.697   3.004 -13.306
  190    HE1  HIS  78           HE1      HIS  78 -22.293   3.096 -16.474
  191    H    SER  79           H        SER  79 -21.397   3.262 -11.447
  192    HA   SER  79           HA       SER  79 -24.085   2.299 -11.167
  193   1HB   SER  79          2HB       SER  79 -24.095   2.828 -13.714
  194   2HB   SER  79          1HB       SER  79 -22.877   1.554 -13.887
  195    HG   SER  79           HG       SER  79 -24.260   0.103 -12.990
  196    H    ARG  80           H        ARG  80 -21.581   1.943  -9.865
  197    HA   ARG  80           HA       ARG  80 -20.053   0.424  -9.112
  198   1HB   ARG  80          2HB       ARG  80 -22.304  -0.048  -8.018
  199   2HB   ARG  80          1HB       ARG  80 -22.522  -1.364  -9.152
  200   1HG   ARG  80          2HG       ARG  80 -20.380  -2.431  -8.235
  201   2HG   ARG  80          1HG       ARG  80 -20.259  -1.095  -7.111
  202   1HD   ARG  80          2HD       ARG  80 -22.344  -1.742  -6.022
  203   2HD   ARG  80          1HD       ARG  80 -22.646  -2.977  -7.239
  204    HE   ARG  80           HE       ARG  80 -20.718  -3.149  -5.018
  205   1HH1  ARG  80          1HH2      ARG  80 -18.829  -4.257  -6.489
  206   2HH1  ARG  80          2HH2      ARG  80 -19.343  -5.818  -7.019
  207   1HH2  ARG  80          2HH1      ARG  80 -22.718  -5.129  -6.354
  208   2HH2  ARG  80          1HH1      ARG  80 -21.624  -6.326  -6.956
  209    H    ILE  81           H        ILE  81 -19.465   0.451 -11.616
  210    HA   ILE  81           HA       ILE  81 -19.594  -1.851 -13.190
  211    HB   ILE  81           HB       ILE  81 -17.333   0.166 -12.803
  212   1HG1  ILE  81          2HG1      ILE  81 -19.533   0.977 -13.653
  213   2HG1  ILE  81          1HG1      ILE  81 -18.200   1.304 -14.750
  214   1HG2  ILE  81          2HG2      ILE  81 -17.494  -1.879 -15.035
  215   2HG2  ILE  81          1HG2      ILE  81 -16.386  -0.517 -14.999
  216   3HG2  ILE  81          3HG2      ILE  81 -16.267  -1.777 -13.787
  217   1HD1  ILE  81          2HD1      ILE  81 -18.934  -0.712 -16.101
  218   2HD1  ILE  81          1HD1      ILE  81 -20.278  -0.939 -14.979
  219   3HD1  ILE  81          3HD1      ILE  81 -20.187   0.499 -15.967
  220    H    GLY  82           H        GLY  82 -17.877  -1.408 -10.434
  221   1HA   GLY  82          2HA       GLY  82 -15.789  -3.271 -10.451
  222   2HA   GLY  82          1HA       GLY  82 -16.679  -2.876  -8.989
  223    H    VAL  83           H        VAL  83 -19.154  -3.987 -10.331
  224    HA   VAL  83           HA       VAL  83 -18.883  -6.648  -9.289
  225    HB   VAL  83           HB       VAL  83 -20.917  -5.234  -9.311
  226   1HG1  VAL  83          2HG1      VAL  83 -21.060  -5.764 -12.297
  227   2HG1  VAL  83          1HG1      VAL  83 -22.332  -5.042 -11.337
  228   3HG1  VAL  83          3HG1      VAL  83 -20.807  -4.216 -11.544
  229   1HG2  VAL  83          2HG2      VAL  83 -21.140  -7.656  -8.991
  230   2HG2  VAL  83          1HG2      VAL  83 -22.525  -7.046  -9.890
  231   3HG2  VAL  83          3HG2      VAL  83 -21.232  -7.897 -10.731
  232    H    THR  84           H        THR  84 -18.405  -5.262 -12.356
  233    HA   THR  84           HA       THR  84 -17.721  -7.943 -13.500
  234    HB   THR  84           HB       THR  84 -18.563  -6.909 -15.767
  235    HG1  THR  84           HG1      THR  84 -19.839  -5.100 -15.471
  236   1HG2  THR  84          2HG2      THR  84 -20.636  -7.284 -13.536
  237   2HG2  THR  84          1HG2      THR  84 -20.961  -7.371 -15.257
  238   3HG2  THR  84          3HG2      THR  84 -19.961  -8.586 -14.486
  239    H    ARG  85           H        ARG  85 -17.419  -4.531 -14.222
  240    HA   ARG  85           HA       ARG  85 -15.676  -3.307 -15.267
  241   1HB   ARG  85          2HB       ARG  85 -15.097  -3.601 -12.746
  242   2HB   ARG  85          1HB       ARG  85 -13.973  -4.846 -13.242
  243   1HG   ARG  85          2HG       ARG  85 -12.745  -3.134 -14.665
  244   2HG   ARG  85          1HG       ARG  85 -13.897  -1.926 -14.148
  245   1HD   ARG  85          2HD       ARG  85 -13.125  -2.117 -11.840
  246   2HD   ARG  85          1HD       ARG  85 -12.092  -3.486 -12.249
  247    HE   ARG  85           HE       ARG  85 -11.661  -0.678 -13.181
  248   1HH1  ARG  85          1HH2      ARG  85 -10.554  -2.414 -15.130
  249   2HH1  ARG  85          2HH2      ARG  85  -8.960  -2.784 -14.570
  250   1HH2  ARG  85          2HH1      ARG  85  -9.746  -1.766 -11.286
  251   2HH2  ARG  85          1HH1      ARG  85  -8.479  -2.383 -12.287
  252    H    GLN  86           HN       GLN  86 -16.159  -5.921 -16.452
  253    HA   GLN  86           HA       GLN  86 -13.480  -6.727 -17.425
  254   1HB   GLN  86          2HB       GLN  86 -15.364  -8.371 -16.858
  255   2HB   GLN  86          1HB       GLN  86 -16.233  -7.806 -18.270
  256   1HG   GLN  86          2HG       GLN  86 -13.449  -9.082 -18.280
  257   2HG   GLN  86          1HG       GLN  86 -14.922  -9.900 -18.751
  258   1HE2  GLN  86          2HE2      GLN  86 -15.113  -7.729 -21.755
  259   2HE2  GLN  86          1HE2      GLN  86 -16.158  -8.027 -20.446
   
  No H/Q in entry =         259