*HEADER    TOXIN                                   11-JUN-98   1BH1      
*TITLE     STRUCTURAL STUDIES OF D-PRO MELITTIN, NMR, 20 STRUCTURES      
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: MELITTIN;                                          
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 ENGINEERED: YES;                                             
*COMPND   5 MUTATION: PRO 14 REPLACED WITH D-PRO                         
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: APIS MELLIFERA;                         
*SOURCE   4 ORGANISM_COMMON: HONEYBEE                                    
*KEYWDS    TOXIN, HEMOLYTIC POLYPEPTIDE                                  
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    K.J.BARNHAM,D.HEWISH,J.WERKMEISTER,C.CURTAIN,                 
*AUTHOR   2 A.KIRKPATRICK,N.BARTONE,S.T.LIU,R.NORTON,D.RIVETT            
*REVDAT   1   12-OCT-04 1BH1    0   

# Here are the NOE contraints.  The dihedral constraints are at the
end of the file.
!2 ILE
assign (resid  2 and name   HN) (resid  2 and name HG1#) 0.00 0  8.00
assign (resid  2 and name   HA) (resid  5 and name   HN) 0.00 0  4.30
assign (resid  2 and name   HA) (resid  5 and name   HB) 0.00 0  3.70
assign (resid  2 and name   HA) (resid  5 and name HG1#) 0.00 0  4.40
assign (resid  2 and name   HA) (resid  5 and name HG2#) 0.00 0  4.40
assign (resid  2 and name   HA) (resid  5 and name  HG#) 0.00 0  4.01
assign (resid  2 and name   HB) (resid  3 and name   HN) 0.00 0  5.10
assign (resid  2 and name   HB) (resid  5 and name   HN) 0.00 0  5.10
assign (resid  2 and name   HB) (resid  6 and name HD1#) 0.00 0  3.90
assign (resid  2 and name   HB) (resid  6 and name HD2#) 0.00 0  3.90
assign (resid  2 and name HG1#) (resid  3 and name   HN) 0.00 0  6.40
assign (resid  2 and name HG1#) (resid  3 and name  HA#) 0.00 0  8.58
!3 GLY
assign (resid  3 and name   HN) (resid  4 and name   HN) 0.00 0  3.90
assign (resid  3 and name  HA1) (resid  6 and name   HN) 0.00 0  5.40
assign (resid  3 and name  HA2) (resid  6 and name   HN) 0.00 0  5.40
assign (resid  3 and name  HA#) (resid  4 and name  HB#) 0.00 0  8.08
assign (resid  3 and name  HA#) (resid  6 and name   HN) 0.00 0  5.18
assign (resid  3 and name  HA#) (resid  7 and name   HN) 0.00 0  6.68
assign (resid  3 and name   HN) (resid  5 and name   HN) 3.50 0 1000.00
assign (resid  3 and name   HN) (resid  6 and name   HN) 3.50 0 1000.00
!4 ALA
assign (resid  4 and name   HN) (resid  4 and name  HB#) 0.00 0  3.40
assign (resid  4 and name   HN) (resid  5 and name   HN) 0.00 0  3.40
assign (resid  4 and name  HB#) (resid  5 and name   HN) 0.00 0  3.90
assign (resid  4 and name  HB#) (resid  5 and name   HA) 0.00 0  6.20
assign (resid  4 and name  HB#) (resid  8 and name   HN) 0.00 0  5.90
!5 VAL
assign (resid  5 and name   HN) (resid  5 and name   HB) 0.00 0  3.10
assign (resid  5 and name   HN) (resid  5 and name HG1#) 0.00 0  4.50
assign (resid  5 and name   HN) (resid  5 and name HG2#) 0.00 0  4.50
assign (resid  5 and name   HN) (resid  5 and name  HG#) 0.00 0  3.67
assign (resid  5 and name   HN) (resid  6 and name   HN) 0.00 0  3.10
assign (resid  5 and name   HN) (resid  7 and name   HN) 0.00 0  5.10
assign (resid  5 and name   HA) (resid  5 and name HG1#) 0.00 0  3.50
assign (resid  5 and name   HA) (resid  5 and name HG2#) 0.00 0  3.50
assign (resid  5 and name   HA) (resid  7 and name   HN) 0.00 0  6.60
assign (resid  5 and name   HA) (resid  8 and name   HN) 0.00 0  4.40
assign (resid  5 and name   HA) (resid  9 and name   HN) 0.00 0  5.00
assign (resid  5 and name   HB) (resid  6 and name   HN) 0.00 0  3.30
assign (resid  5 and name   HB) (resid  7 and name   HN) 0.00 0  5.60
assign (resid  5 and name  HG#) (resid  6 and name   HN) 0.00 0  6.56
!6 LEU
assign (resid  6 and name   HN) (resid  6 and name   HG) 0.00 0  3.80
assign (resid  6 and name   HN) (resid  6 and name HD1#) 0.00 0  5.00
assign (resid  6 and name   HN) (resid  6 and name HD2#) 0.00 0  5.00
assign (resid  6 and name   HN) (resid  6 and name  HD#) 0.00 0  4.39
assign (resid  6 and name   HA) (resid  6 and name   HG) 0.00 0  3.50
assign (resid  6 and name   HA) (resid  6 and name HD1#) 0.00 0  6.40
assign (resid  6 and name   HA) (resid  6 and name HD2#) 0.00 0  6.40
assign (resid  6 and name   HA) (resid  9 and name   HN) 0.00 0  4.00
assign (resid  6 and name  HB#) (resid  7 and name   HN) 0.00 0  5.80
assign (resid  6 and name  HB#) (resid  8 and name   HA) 0.00 0  8.00
assign (resid  6 and name   HG) (resid  7 and name   HN) 0.00 0  4.60
!7 LYS
assign (resid  7 and name   HN) (resid  7 and name  HG#) 0.00 0  7.70
assign (resid  7 and name   HN) (resid  7 and name  HD#) 0.00 0  6.90
assign (resid  7 and name   HN) (resid  7 and name  HE#) 0.00 0  8.00
assign (resid  7 and name   HN) (resid  8 and name   HN) 0.00 0  4.00
assign (resid  7 and name   HN) (resid  8 and name  HG#) 0.00 0  7.76
assign (resid  7 and name   HA) (resid  7 and name  HD#) 0.00 0  6.80
assign (resid  7 and name   HA) (resid 10 and name   HN) 0.00 0  5.10
assign (resid  7 and name   HA) (resid 10 and name   HA) 0.00 0  5.40
assign (resid  7 and name   HA) (resid 10 and name  HG1) 0.00 0  4.70
assign (resid  7 and name  HB#) (resid  8 and name   HN) 0.00 0  5.10
assign (resid  7 and name   HA) (resid 10 and name   HB) 3.50 0 1000.00
assign (resid  7 and name   HA) (resid 11 and name   HB) 3.50 0 1000.00
assign (resid  7 and name  HB#) (resid 11 and name   HB) 3.50 0 1000.00
!8 VAL
assign (resid  8 and name   HN) (resid  8 and name   HB) 0.00 0  3.10
assign (resid  8 and name   HN) (resid  8 and name HG1#) 0.00 0  4.30
assign (resid  8 and name   HN) (resid  8 and name HG2#) 0.00 0  4.30
assign (resid  8 and name   HN) (resid  8 and name  HG#) 0.00 0  3.55
assign (resid  8 and name   HN) (resid  9 and name   HN) 0.00 0  3.40
assign (resid  8 and name   HA) (resid  8 and name HG1#) 0.00 0  3.70
assign (resid  8 and name   HA) (resid  8 and name HG2#) 0.00 0  3.70
assign (resid  8 and name   HA) (resid 11 and name   HN) 0.00 0  4.30
assign (resid  8 and name   HA) (resid 11 and name  HG1) 0.00 0  6.60
assign (resid  8 and name   HA) (resid 12 and name   HN) 0.00 0  4.80
assign (resid  8 and name   HB) (resid  9 and name   HN) 0.00 0  3.50
assign (resid  8 and name  HG#) (resid  9 and name   HN) 0.00 0  6.16
assign (resid  8 and name  HG#) (resid 12 and name   HN) 0.00 0  6.96
assign (resid  8 and name  HG#) (resid 12 and name  HA#) 0.00 0  8.64
assign (resid  8 and name  HG#) (resid 14 and name  HD#) 0.00 0  9.68
assign (resid  8 and name   HA) (resid 11 and name   HB) 3.50 0 1000.00
assign (resid  8 and name   HA) (resid 13 and name   HA) 3.50 0 1000.00
!9 LEU
assign (resid  9 and name   HN) (resid  9 and name  HB#) 0.00 0  3.80
assign (resid  9 and name   HN) (resid  9 and name   HG) 0.00 0  4.10
assign (resid  9 and name   HN) (resid  9 and name HD1#) 0.00 0  4.10
assign (resid  9 and name   HN) (resid  9 and name HD2#) 0.00 0  4.10
assign (resid  9 and name   HN) (resid 10 and name   HN) 0.00 0  3.50
assign (resid  9 and name   HN) (resid 10 and name  HG1) 0.00 0  5.50
assign (resid  9 and name   HN) (resid 11 and name   HN) 0.00 0  5.80
assign (resid  9 and name   HN) (resid 13 and name   HA) 0.00 0  5.40
assign (resid  9 and name   HA) (resid  9 and name HD1#) 0.00 0  4.90
assign (resid  9 and name   HA) (resid  9 and name HD2#) 0.00 0  4.90
assign (resid  9 and name   HA) (resid  9 and name  HD#) 0.00 0  4.09
assign (resid  9 and name  HB#) (resid 10 and name   HN) 0.00 0  6.50
assign (resid  9 and name  HB#) (resid 11 and name   HN) 0.00 0  7.30
assign (resid  9 and name   HG) (resid 10 and name   HN) 0.00 0  5.50
assign (resid  9 and name   HG) (resid 10 and name  HG1) 0.00 0  4.50
assign (resid  9 and name  HD#) (resid 10 and name   HN) 0.00 0  7.57
!10 THR
assign (resid 10 and name   HN) (resid 10 and name   HB) 0.00 0  4.00
assign (resid 10 and name   HN) (resid 10 and name  HG1) 0.00 0  4.00
assign (resid 10 and name   HA) (resid 10 and name  HG1) 0.00 0  3.30
assign (resid 10 and name   HB) (resid 11 and name   HN) 0.00 0  4.90
!11 THR
assign (resid 11 and name   HN) (resid 11 and name   HB) 0.00 0  4.20
assign (resid 11 and name   HN) (resid 11 and name  HG1) 0.00 0  4.00
assign (resid 11 and name   HN) (resid 12 and name   HN) 0.00 0  3.20
assign (resid 11 and name   HA) (resid 11 and name  HG1) 0.00 0  2.90
assign (resid 11 and name   HB) (resid 12 and name   HN) 0.00 0  3.90
assign (resid 11 and name  HG1) (resid 12 and name   HN) 0.00 0  4.80
assign (resid 11 and name  HG1) (resid 12 and name  HA#) 0.00 0  7.08
!12 GLY
assign (resid 12 and name   HN) (resid 13 and name   HN) 0.00 0  3.50
assign (resid 12 and name   HN) (resid 14 and name  HB#) 0.00 0  6.44
assign (resid 12 and name  HA1) (resid 17 and name   HN) 0.00 0  5.60
assign (resid 12 and name  HA2) (resid 17 and name   HN) 0.00 0  5.60
assign (resid 12 and name  HA#) (resid 17 and name   HN) 0.00 0  5.19
!13 LEU
assign (resid 13 and name   HN) (resid 13 and name  HB#) 0.00 0  3.90
assign (resid 13 and name   HN) (resid 13 and name   HG) 0.00 0  4.50
assign (resid 13 and name   HN) (resid 13 and name  HD#) 0.00 0  7.70
assign (resid 13 and name   HN) (resid 14 and name  HD2) 0.00 0  5.30
assign (resid 13 and name   HN) (resid 14 and name  HD1) 0.00 0  5.30
assign (resid 13 and name   HN) (resid 17 and name HG1#) 0.00 0  6.90
assign (resid 13 and name  HB#) (resid 14 and name  HD#) 0.00 0  8.62
assign (resid 13 and name  HB#) (resid 17 and name   HA) 0.00 0  7.70
assign (resid 13 and name   HG) (resid 14 and name  HD2) 0.00 0  5.40
assign (resid 13 and name   HG) (resid 14 and name  HD1) 0.00 0  5.40
assign (resid 13 and name   HG) (resid 14 and name  HD#) 0.00 0  4.93
assign (resid 13 and name  HD#) (resid 14 and name  HD#) 0.00 0  7.72
assign (resid 13 and name   HN) (resid 17 and name   HN) 3.50 0 1000.00
!14 PRO
assign (resid 14 and name   HA) (resid 15 and name   HN) 0.00 0  3.20
assign (resid 14 and name   HA) (resid 16 and name   HN) 0.00 0  5.60
assign (resid 14 and name  HB#) (resid 16 and name   HN) 0.00 0  5.64
assign (resid 14 and name  HD#) (resid 15 and name   HN) 0.00 0  5.44
assign (resid 14 and name  HD#) (resid 16 and name   HN) 0.00 0  5.32
!15 ALA
assign (resid 15 and name   HN) (resid 15 and name  HB#) 0.00 0  3.40
assign (resid 15 and name   HN) (resid 16 and name   HN) 0.00 0  3.80
assign (resid 15 and name   HA) (resid 18 and name   HN) 0.00 0  5.20
assign (resid 15 and name  HB#) (resid 16 and name   HN) 0.00 0  3.90
assign (resid 15 and name  HB#) (resid 17 and name   HN) 0.00 0  5.90
assign (resid 15 and name  HB#) (resid 17 and name HD1#) 0.00 0  5.30
assign (resid 15 and name  HB#) (resid 18 and name   HN) 0.00 0  5.20
assign (resid 15 and name  HB#) (resid 18 and name  HB#) 0.00 0  5.98
assign (resid 15 and name  HB#) (resid 19 and name  HD1) 0.00 0  4.10
!16 LEU
assign (resid 16 and name   HN) (resid 16 and name   HG) 0.00 0  3.60
assign (resid 16 and name   HN) (resid 16 and name HD1#) 0.00 0  5.50
assign (resid 16 and name   HN) (resid 16 and name HD2#) 0.00 0  5.50
assign (resid 16 and name   HN) (resid 16 and name  HD#) 0.00 0  4.63
assign (resid 16 and name   HN) (resid 17 and name   HN) 0.00 0  3.90
assign (resid 16 and name   HA) (resid 16 and name HD1#) 0.00 0  4.40
assign (resid 16 and name   HA) (resid 16 and name HD2#) 0.00 0  4.40
assign (resid 16 and name   HA) (resid 19 and name   HN) 0.00 0  3.40
assign (resid 16 and name   HA) (resid 19 and name  HB2) 0.00 0  4.60
assign (resid 16 and name   HA) (resid 19 and name  HB1) 0.00 0  4.60
assign (resid 16 and name   HA) (resid 19 and name  HD1) 0.00 0  3.80
assign (resid 16 and name   HA) (resid 20 and name   HN) 0.00 0  4.90
assign (resid 16 and name   HG) (resid 17 and name   HN) 0.00 0  5.00
assign (resid 16 and name HD1#) (resid 19 and name  HD1) 0.00 0  5.30
assign (resid 16 and name HD2#) (resid 19 and name  HD1) 0.00 0  5.30
assign (resid 16 and name  HD#) (resid 19 and name  HD1) 0.00 0  4.86
!17 ILE
assign (resid 17 and name   HN) (resid 17 and name   HB) 0.00 0  3.40
assign (resid 17 and name   HN) (resid 17 and name HG2#) 0.00 0  4.50
assign (resid 17 and name   HN) (resid 17 and name HG1#) 0.00 0  6.00
assign (resid 17 and name   HN) (resid 17 and name HD1#) 0.00 0  4.00
assign (resid 17 and name   HN) (resid 18 and name   HN) 0.00 0  3.50
assign (resid 17 and name   HA) (resid 20 and name   HN) 0.00 0  4.50
assign (resid 17 and name   HB) (resid 17 and name HD1#) 0.00 0  3.40
assign (resid 17 and name   HB) (resid 18 and name   HN) 0.00 0  4.20
assign (resid 17 and name HG2#) (resid 17 and name HD1#) 0.00 0  4.50
assign (resid 17 and name HD1#) (resid 18 and name   HN) 0.00 0  4.00
assign (resid 17 and name HD1#) (resid 18 and name  HB#) 0.00 0  5.88
!18 SER
assign (resid 18 and name   HN) (resid 18 and name  HB2) 0.00 0  3.90
assign (resid 18 and name   HN) (resid 18 and name  HB1) 0.00 0  3.90
assign (resid 18 and name   HN) (resid 18 and name  HB#) 0.00 0  3.65
assign (resid 18 and name   HN) (resid 19 and name   HN) 0.00 0  3.50
assign (resid 18 and name   HN) (resid 20 and name   HN) 0.00 0  6.20
assign (resid 18 and name   HA) (resid 21 and name   HN) 0.00 0  4.60
assign (resid 18 and name   HA) (resid 21 and name  HG#) 0.00 0  8.00
assign (resid 18 and name   HA) (resid 21 and name  HD#) 0.00 0  7.80
assign (resid 18 and name   HA) (resid 22 and name   HN) 0.00 0  5.50
assign (resid 18 and name   HA) (resid 22 and name  HB#) 0.00 0  6.28
assign (resid 18 and name  HB2) (resid 19 and name   HN) 0.00 0  4.30
assign (resid 18 and name  HB2) (resid 19 and name  HD1) 0.00 0  7.00
assign (resid 18 and name  HB1) (resid 19 and name   HN) 0.00 0  4.30
assign (resid 18 and name  HB1) (resid 19 and name  HD1) 0.00 0  7.00
assign (resid 18 and name  HB#) (resid 19 and name  HD1) 0.00 0  6.65
assign (resid 18 and name  HB#) (resid 22 and name  HB#) 0.00 0  5.65
!19 TRP
assign (resid 19 and name   HN) (resid 19 and name  HB2) 0.00 0  3.60
assign (resid 19 and name   HN) (resid 19 and name  HB1) 0.00 0  3.60
assign (resid 19 and name   HN) (resid 19 and name  HB#) 0.00 0  3.39
assign (resid 19 and name   HN) (resid 19 and name  HD1) 0.00 0  5.00
assign (resid 19 and name   HN) (resid 20 and name   HN) 0.00 0  4.20
assign (resid 19 and name   HN) (resid 22 and name  HB#) 0.00 0  3.98
assign (resid 19 and name   HA) (resid 19 and name  HD1) 0.00 0  4.20
assign (resid 19 and name   HA) (resid 19 and name  HE3) 0.00 0  4.00
assign (resid 19 and name   HA) (resid 22 and name   HN) 0.00 0  4.20
assign (resid 19 and name   HA) (resid 22 and name  HB#) 0.00 0  5.48
assign (resid 19 and name   HA) (resid 23 and name   HN) 0.00 0  5.50
assign (resid 19 and name  HB2) (resid 19 and name  HD1) 0.00 0  3.90
assign (resid 19 and name  HB2) (resid 20 and name   HN) 0.00 0  4.60
assign (resid 19 and name  HB1) (resid 19 and name  HD1) 0.00 0  3.90
assign (resid 19 and name  HB1) (resid 20 and name   HN) 0.00 0  4.60
assign (resid 19 and name  HB#) (resid 20 and name   HN) 0.00 0  4.37
assign (resid 19 and name  HD1) (resid 20 and name   HB) 0.00 0  6.80
assign (resid 19 and name  HE3) (resid 20 and name   HN) 0.00 0  5.80
assign (resid 19 and name  HE3) (resid 20 and name   HA) 0.00 0  3.40
assign (resid 19 and name   HN) (resid 22 and name   HN) 3.50 0 1000.00
!20 ILE
assign (resid 20 and name   HN) (resid 20 and name   HB) 0.00 0  3.20
assign (resid 20 and name   HN) (resid 20 and name HG2#) 0.00 0  3.90
assign (resid 20 and name   HN) (resid 20 and name HG1#) 0.00 0  6.30
assign (resid 20 and name   HN) (resid 21 and name   HN) 0.00 0  3.80
assign (resid 20 and name   HA) (resid 20 and name HG2#) 0.00 0  3.50
assign (resid 20 and name   HA) (resid 22 and name   HN) 0.00 0  6.80
assign (resid 20 and name   HA) (resid 22 and name  HB#) 0.00 0  7.48
assign (resid 20 and name   HA) (resid 23 and name   HN) 0.00 0  4.20
assign (resid 20 and name   HA) (resid 23 and name  HB#) 0.00 0  5.80
assign (resid 20 and name   HA) (resid 24 and name   HN) 0.00 0  5.30
assign (resid 20 and name   HB) (resid 21 and name   HN) 0.00 0  3.90
assign (resid 20 and name HG2#) (resid 21 and name   HN) 0.00 0  4.00
assign (resid 20 and name HG2#) (resid 22 and name   HN) 0.00 0  5.40
assign (resid 20 and name HG2#) (resid 24 and name   HN) 0.00 0  4.70
assign (resid 20 and name HG1#) (resid 21 and name  HG#) 0.00 0  9.00
!21 LYS
assign (resid 21 and name   HN) (resid 21 and name  HG#) 0.00 0  7.50
assign (resid 21 and name   HN) (resid 21 and name  HD#) 0.00 0  6.00
assign (resid 21 and name   HN) (resid 21 and name  HE2) 0.00 0  7.00
assign (resid 21 and name   HN) (resid 21 and name  HE1) 0.00 0  7.00
assign (resid 21 and name   HA) (resid 21 and name  HD#) 0.00 0  6.00
assign (resid 21 and name   HA) (resid 21 and name  HE2) 0.00 0  7.00
assign (resid 21 and name   HA) (resid 21 and name  HE1) 0.00 0  7.00
assign (resid 21 and name   HA) (resid 24 and name   HN) 0.00 0  3.90
assign (resid 21 and name  HB#) (resid 21 and name  HE#) 0.00 0  7.78
assign (resid 21 and name  HB#) (resid 21 and name  HZ#) 0.00 0  9.00
assign (resid 21 and name  HB#) (resid 22 and name   HN) 0.00 0  5.90
assign (resid 21 and name  HG#) (resid 21 and name  HZ#) 0.00 0  9.00
assign (resid 21 and name  HG#) (resid 22 and name  HB#) 0.00 0  7.28
assign (resid 21 and name  HG#) (resid 23 and name  HE#) 0.00 0  9.00
assign (resid 21 and name  HE#) (resid 24 and name  HB#) 0.00 0  6.85
!22 ARG
assign (resid 22 and name   HN) (resid 22 and name  HB#) 0.00 0  3.46
assign (resid 22 and name   HN) (resid 22 and name  HG#) 0.00 0  6.70
assign (resid 22 and name   HN) (resid 22 and name  HD#) 0.00 0  8.00
assign (resid 22 and name   HN) (resid 23 and name   HN) 0.00 0  3.70
assign (resid 22 and name   HA) (resid 23 and name   HN) 0.00 0  3.50
assign (resid 22 and name   HA) (resid 25 and name  HB#) 0.00 0  6.30
assign (resid 22 and name  HB#) (resid 23 and name  HB#) 0.00 0  6.65
assign (resid 22 and name   HA) (resid 26 and name   HA) 3.50 0 1000.00
!23 LYS
assign (resid 23 and name   HN) (resid 23 and name  HB#) 0.00 0  3.70
assign (resid 23 and name   HN) (resid 23 and name  HG#) 0.00 0  5.30
assign (resid 23 and name   HN) (resid 23 and name  HD#) 0.00 0  7.20
assign (resid 23 and name   HN) (resid 23 and name  HE#) 0.00 0  8.00
assign (resid 23 and name   HN) (resid 24 and name   HN) 0.00 0  4.00
assign (resid 23 and name   HN) (resid 25 and name   HN) 0.00 0  6.20
assign (resid 23 and name   HA) (resid 23 and name  HD#) 0.00 0  6.80
assign (resid 23 and name   HA) (resid 26 and name   HN) 0.00 0  6.60
assign (resid 23 and name   HA) (resid 26 and name  HB#) 0.00 0  6.08
assign (resid 23 and name  HB#) (resid 24 and name   HN) 0.00 0  5.10
assign (resid 23 and name  HB#) (resid 25 and name   HN) 0.00 0  7.68
assign (resid 23 and name  HG#) (resid 24 and name   HN) 0.00 0  7.80
assign (resid 23 and name  HE#) (resid 24 and name  HG#) 0.00 0  6.40
assign (resid 23 and name   HA) (resid 26 and name   HA) 3.50 0 1000.00
!24 ARG
assign (resid 24 and name   HN) (resid 24 and name  HB2) 0.00 0  3.90
assign (resid 24 and name   HN) (resid 24 and name  HB1) 0.00 0  3.90
assign (resid 24 and name   HN) (resid 24 and name  HB#) 0.00 0  3.32
assign (resid 24 and name   HN) (resid 24 and name  HG#) 0.00 0  6.30
assign (resid 24 and name   HN) (resid 24 and name  HD#) 0.00 0  8.00
assign (resid 24 and name   HN) (resid 25 and name   HN) 0.00 0  3.50
assign (resid 24 and name   HN) (resid 25 and name  HB#) 0.00 0  7.88
assign (resid 24 and name   HA) (resid 24 and name  HD#) 0.00 0  6.30
assign (resid 24 and name   HA) (resid 24 and name   HE) 0.00 0  7.00
assign (resid 24 and name  HB2) (resid 24 and name   HE) 0.00 0  7.00
assign (resid 24 and name  HB1) (resid 24 and name   HE) 0.00 0  7.00
!25 GLN
assign (resid 25 and name   HN) (resid 25 and name  HG2) 0.00 0  4.10
assign (resid 25 and name   HN) (resid 25 and name  HG1) 0.00 0  4.10
assign (resid 25 and name   HN) (resid 25 and name  HG#) 0.00 0  3.76
assign (resid 25 and name   HN) (resid 26 and name   HN) 0.00 0  3.70
assign (resid 25 and name   HA) (resid 25 and name  HG#) 0.00 0  3.86
!26 GLN
assign (resid 26 and name   HN) (resid 26 and name  HG#) 0.00 0  5.78

restraints dihedral

      assign (resid 1 and name c) (resid 2 and name n)
             (resid 2 and name ca) (resid 2 and name c)  1 -120.0   60.0  2
      assign (resid 3 and name c) (resid 4 and name n)
             (resid 4 and name ca) (resid 4 and name c)  1  -60.0   40.0  2
      assign (resid 4 and name c) (resid 5 and name n)
             (resid 5 and name ca) (resid 5 and name c)  1  -60.0   40.0  2
      assign (resid 5 and name c) (resid 6 and name n)
             (resid 6 and name ca) (resid 6 and name c)  1  -60.0   30.0  2
      assign (resid 6 and name c) (resid 7 and name n)
             (resid 7 and name ca) (resid 7 and name c)  1  -60.0   40.0  2
      assign (resid 7 and name c) (resid 8 and name n)
             (resid 8 and name ca) (resid 8 and name c)  1  -60.0   30.0  2
      assign (resid 8 and name c) (resid 9 and name n)
             (resid 9 and name ca) (resid 9 and name c)  1  -60.0   30.0  2
      assign (resid 9 and name c) (resid 10 and name n)
             (resid 10 and name ca) (resid 10 and name c)  1 -120.0   60.0  2
      assign (resid 10 and name c) (resid 11 and name n)
             (resid 11 and name ca) (resid 11 and name c)  1 -120.0   60.0  2
      assign (resid 12 and name c) (resid 13 and name n)
             (resid 13 and name ca) (resid 13 and name c)  1 -120.0   60.0  2
      assign (resid 14 and name c) (resid 15 and name n)
             (resid 15 and name ca) (resid 15 and name c)  1  -60.0   40.0  2
      assign (resid 15 and name c) (resid 16 and name n)
             (resid 16 and name ca) (resid 16 and name c)  1  -60.0   30.0  2
      assign (resid 16 and name c) (resid 17 and name n)
             (resid 17 and name ca) (resid 17 and name c)  1  -60.0   40.0  2
      assign (resid 17 and name c) (resid 18 and name n)
             (resid 18 and name ca) (resid 18 and name c)  1  -60.0   40.0  2
      assign (resid 18 and name c) (resid 19 and name n)
             (resid 19 and name ca) (resid 19 and name c)  1  -60.0   40.0  2
      assign (resid 19 and name c) (resid 20 and name n)
             (resid 20 and name ca) (resid 20 and name c)  1  -60.0   30.0  2
      assign (resid 20 and name c) (resid 21 and name n)
             (resid 21 and name ca) (resid 21 and name c)  1  -60.0   40.0  2
      assign (resid 21 and name c) (resid 22 and name n)
             (resid 22 and name ca) (resid 22 and name c)  1  -60.0   30.0  2
      assign (resid 22 and name c) (resid 23 and name n)
             (resid 23 and name ca) (resid 23 and name c)  1  -60.0   30.0  2
      assign (resid 23 and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1  -60.0   40.0  2
      assign (resid 24 and name c) (resid 25 and name n)
             (resid 25 and name ca) (resid 25 and name c)  1  -60.0   40.0  2
      assign (resid 19 and name n) (resid 19 and name ca)
             (resid 19 and name cb) (resid 19 and name cg) 1  180.0   40.0  2

  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    GLY   1          3H        GLY   1   4.591   0.185   0.185
    2   2H    GLY   1          2H        GLY   1   5.032   1.360   1.360
    3   3H    GLY   1          1H        GLY   1   5.453  -0.271  -0.271
    4   1HA   GLY   1          2HA       GLY   1   3.495  -0.657  -0.657
    5   2HA   GLY   1          1HA       GLY   1   3.077   1.056   1.056
    6    H    ILE   2           H        ILE   2   0.925  -0.615  -0.615
    7    HA   ILE   2           HA       ILE   2   0.769  -1.070  -1.070
    8    HB   ILE   2           HB       ILE   2  -1.054  -2.669  -2.669
    9   1HG1  ILE   2          2HG1      ILE   2  -0.320  -2.097  -2.097
   10   2HG1  ILE   2          1HG1      ILE   2  -1.849  -1.706  -1.706
   11   1HG2  ILE   2          3HG2      ILE   2   1.435  -3.289  -3.289
   12   2HG2  ILE   2          2HG2      ILE   2   1.473  -3.291  -3.291
   13   3HG2  ILE   2          1HG2      ILE   2   0.446  -4.419  -4.419
   14   1HD1  ILE   2          2HD1      ILE   2  -1.822  -4.339  -4.339
   15   2HD1  ILE   2          1HD1      ILE   2  -0.761  -4.381  -4.381
   16   3HD1  ILE   2          3HD1      ILE   2  -2.388  -3.750  -3.750
   17    H    GLY   3           H        GLY   3  -0.522   0.874   0.874
   18   1HA   GLY   3          2HA       GLY   3  -3.075   1.555   1.555
   19   2HA   GLY   3          1HA       GLY   3  -1.864   2.820   2.820
   20    H    ALA   4           H        ALA   4  -0.639   2.412   2.412
   21    HA   ALA   4           HA       ALA   4  -2.697   3.552   3.552
   22   1HB   ALA   4          3HB       ALA   4  -0.361   4.639   4.639
   23   2HB   ALA   4          2HB       ALA   4   0.282   3.294   3.294
   24   3HB   ALA   4          1HB       ALA   4  -0.869   4.394   4.394
   25    H    VAL   5           H        VAL   5  -0.378   0.921   0.921
   26    HA   VAL   5           HA       VAL   5  -0.666  -0.237  -0.237
   27    HB   VAL   5           HB       VAL   5  -0.435  -1.770  -1.770
   28   1HG1  VAL   5          2HG1      VAL   5   0.464  -2.435  -2.435
   29   2HG1  VAL   5          1HG1      VAL   5   0.941  -3.360  -3.360
   30   3HG1  VAL   5          3HG1      VAL   5  -0.745  -3.278  -3.278
   31   1HG2  VAL   5          3HG2      VAL   5   1.782  -0.491  -0.491
   32   2HG2  VAL   5          2HG2      VAL   5   1.318   0.068   0.068
   33   3HG2  VAL   5          1HG2      VAL   5   2.056  -1.503  -1.503
   34    H    LEU   6           H        LEU   6  -2.780  -0.484  -0.484
   35    HA   LEU   6           HA       LEU   6  -4.598  -2.358  -2.358
   36   1HB   LEU   6          2HB       LEU   6  -5.275  -0.920  -0.920
   37   2HB   LEU   6          1HB       LEU   6  -5.877  -2.448  -2.448
   38    HG   LEU   6           HG       LEU   6  -3.032  -1.919  -1.919
   39   1HD1  LEU   6          2HD1      LEU   6  -5.458  -3.298  -3.298
   40   2HD1  LEU   6          1HD1      LEU   6  -3.842  -3.565  -3.565
   41   3HD1  LEU   6          3HD1      LEU   6  -4.540  -1.958  -1.958
   42   1HD2  LEU   6          1HD2      LEU   6  -4.373  -4.414  -4.414
   43   2HD2  LEU   6          3HD2      LEU   6  -2.874  -3.672  -3.672
   44   3HD2  LEU   6          2HD2      LEU   6  -2.941  -4.514  -4.514
   45    H    LYS   7           H        LYS   7  -4.106   0.857   0.857
   46    HA   LYS   7           HA       LYS   7  -6.925   1.650   1.650
   47   1HB   LYS   7          2HB       LYS   7  -5.205   2.918   2.918
   48   2HB   LYS   7          1HB       LYS   7  -4.530   3.497   3.497
   49   1HG   LYS   7          2HG       LYS   7  -7.309   3.936   3.936
   50   2HG   LYS   7          1HG       LYS   7  -7.039   4.299   4.299
   51   1HD   LYS   7          2HD       LYS   7  -5.332   5.447   5.447
   52   2HD   LYS   7          1HD       LYS   7  -6.796   6.230   6.230
   53   1HE   LYS   7          2HE       LYS   7  -5.892   6.480   6.480
   54   2HE   LYS   7          1HE       LYS   7  -4.450   5.574   5.574
   55   1HZ   LYS   7          1HZ       LYS   7  -4.728   7.662   7.662
   56   2HZ   LYS   7          3HZ       LYS   7  -4.908   8.332   8.332
   57   3HZ   LYS   7          2HZ       LYS   7  -3.513   7.453   7.453
   58    H    VAL   8           H        VAL   8  -4.230   0.563   0.563
   59    HA   VAL   8           HA       VAL   8  -4.634   2.157   2.157
   60    HB   VAL   8           HB       VAL   8  -2.797  -0.208  -0.208
   61   1HG1  VAL   8          1HG1      VAL   8  -3.189   0.060   0.060
   62   2HG1  VAL   8          3HG1      VAL   8  -2.552   1.696   1.696
   63   3HG1  VAL   8          2HG1      VAL   8  -1.520   0.312   0.312
   64   1HG2  VAL   8          3HG2      VAL   8  -2.636   2.583   2.583
   65   2HG2  VAL   8          2HG2      VAL   8  -1.534   1.281   1.281
   66   3HG2  VAL   8          1HG2      VAL   8  -1.296   2.229   2.229
   67    H    LEU   9           H        LEU   9  -5.132  -1.100  -1.100
   68    HA   LEU   9           HA       LEU   9  -6.435  -1.908  -1.908
   69   1HB   LEU   9          2HB       LEU   9  -6.522  -3.814  -3.814
   70   2HB   LEU   9          1HB       LEU   9  -5.983  -4.067  -4.067
   71    HG   LEU   9           HG       LEU   9  -4.311  -2.644  -2.644
   72   1HD1  LEU   9          3HD1      LEU   9  -4.182  -5.497  -5.497
   73   2HD1  LEU   9          2HD1      LEU   9  -3.006  -4.720  -4.720
   74   3HD1  LEU   9          1HD1      LEU   9  -4.654  -4.951  -4.951
   75   1HD2  LEU   9          1HD2      LEU   9  -3.661  -3.665  -3.665
   76   2HD2  LEU   9          3HD2      LEU   9  -3.622  -1.994  -1.994
   77   3HD2  LEU   9          2HD2      LEU   9  -2.441  -3.126  -3.126
   78    H    THR  10           H        THR  10  -7.646   0.066   0.066
   79    HA   THR  10           HA       THR  10 -10.209  -1.407  -1.407
   80    HB   THR  10           HB       THR  10 -10.282   0.807   0.807
   81    HG1  THR  10           HG1      THR  10  -7.829  -0.402  -0.402
   82   1HG2  THR  10          1HG2      THR  10  -9.315  -2.097  -2.097
   83   2HG2  THR  10          3HG2      THR  10  -9.489  -0.977  -0.977
   84   3HG2  THR  10          2HG2      THR  10 -10.893  -1.453  -1.453
   85    H    THR  11           H        THR  11  -8.856   1.391   1.391
   86    HA   THR  11           HA       THR  11 -11.626   2.327   2.327
   87    HB   THR  11           HB       THR  11 -11.088   4.332   4.332
   88    HG1  THR  11           HG1      THR  11 -10.202   4.714   4.714
   89   1HG2  THR  11          3HG2      THR  11  -9.454   3.110   3.110
   90   2HG2  THR  11          2HG2      THR  11  -8.188   3.386   3.386
   91   3HG2  THR  11          1HG2      THR  11  -8.958   4.743   4.743
   92    H    GLY  12           H        GLY  12  -8.463   3.195   3.195
   93   1HA   GLY  12          2HA       GLY  12  -9.282   2.173   2.173
   94   2HA   GLY  12          1HA       GLY  12  -8.396   3.688   3.688
   95    H    LEU  13           H        LEU  13  -6.254   3.602   3.602
   96    HA   LEU  13           HA       LEU  13  -4.673   1.455   1.455
   97   1HB   LEU  13          2HB       LEU  13  -5.467   1.235   1.235
   98   2HB   LEU  13          1HB       LEU  13  -3.722   1.411   1.411
   99    HG   LEU  13           HG       LEU  13  -5.124  -0.536  -0.536
  100   1HD1  LEU  13          3HD1      LEU  13  -4.398  -1.138  -1.138
  101   2HD1  LEU  13          2HD1      LEU  13  -4.897  -2.315  -2.315
  102   3HD1  LEU  13          1HD1      LEU  13  -6.020  -1.082  -1.082
  103   1HD2  LEU  13          3HD2      LEU  13  -2.547   0.121   0.121
  104   2HD2  LEU  13          2HD2      LEU  13  -2.991  -1.568  -1.568
  105   3HD2  LEU  13          1HD2      LEU  13  -2.469  -0.907  -0.907
  106    HA   PRO  14           HA       DPR  14  -1.872   4.736   4.736
  107   1HB   PRO  14          2HB       DPR  14  -2.181   5.850   5.850
  108   2HB   PRO  14          1HB       DPR  14  -3.745   6.506   6.506
  109   1HG   PRO  14          2HG       DPR  14  -3.128   3.777   3.777
  110   2HG   PRO  14          1HG       DPR  14  -4.514   4.809   4.809
  111   1HD   PRO  14          2HD       DPR  14  -4.757   2.692   2.692
  112   2HD   PRO  14          1HD       DPR  14  -5.606   4.203   4.203
  113    H    ALA  15           H        ALA  15  -1.882   5.310   5.310
  114    HA   ALA  15           HA       ALA  15  -3.008   8.022   8.022
  115   1HB   ALA  15          1HB       ALA  15  -0.560   7.737   7.737
  116   2HB   ALA  15          3HB       ALA  15  -0.793   6.535   6.535
  117   3HB   ALA  15          2HB       ALA  15  -1.275   8.204   8.204
  118    H    LEU  16           H        LEU  16  -3.501   4.781   4.781
  119    HA   LEU  16           HA       LEU  16  -4.131   4.814   4.814
  120   1HB   LEU  16          2HB       LEU  16  -5.293   3.494   3.494
  121   2HB   LEU  16          1HB       LEU  16  -6.267   3.414   3.414
  122    HG   LEU  16           HG       LEU  16  -4.601   1.566   1.566
  123   1HD1  LEU  16          3HD1      LEU  16  -5.639   2.249   2.249
  124   2HD1  LEU  16          2HD1      LEU  16  -4.060   2.924   2.924
  125   3HD1  LEU  16          1HD1      LEU  16  -4.229   1.211   1.211
  126   1HD2  LEU  16          2HD2      LEU  16  -2.613   2.847   2.847
  127   2HD2  LEU  16          1HD2      LEU  16  -2.251   1.842   1.842
  128   3HD2  LEU  16          3HD2      LEU  16  -2.469   3.562   3.562
  129    H    ILE  17           H        ILE  17  -6.136   6.235   6.235
  130    HA   ILE  17           HA       ILE  17  -8.463   6.813   6.813
  131    HB   ILE  17           HB       ILE  17  -7.426   8.989   8.989
  132   1HG1  ILE  17          2HG1      ILE  17  -8.339   7.410   7.410
  133   2HG1  ILE  17          1HG1      ILE  17  -7.943   6.104   6.104
  134   1HG2  ILE  17          1HG2      ILE  17  -9.723   8.984   8.984
  135   2HG2  ILE  17          3HG2      ILE  17 -10.088   7.533   7.533
  136   3HG2  ILE  17          2HG2      ILE  17  -9.722   9.037   9.037
  137   1HD1  ILE  17          3HD1      ILE  17  -5.674   7.871   7.871
  138   2HD1  ILE  17          2HD1      ILE  17  -6.165   7.747   7.747
  139   3HD1  ILE  17          1HD1      ILE  17  -5.758   6.302   6.302
  140    H    SER  18           H        SER  18  -5.403   8.520   8.520
  141    HA   SER  18           HA       SER  18  -6.485  10.470  10.470
  142   1HB   SER  18          2HB       SER  18  -4.273  10.540  10.540
  143   2HB   SER  18          1HB       SER  18  -3.839  11.233  11.233
  144    HG   SER  18           HG       SER  18  -5.725  12.059  12.059
  145    H    TRP  19           H        TRP  19  -5.354   7.569   7.569
  146    HA   TRP  19           HA       TRP  19  -3.589   7.843   7.843
  147   1HB   TRP  19          2HB       TRP  19  -3.254   6.282   6.282
  148   2HB   TRP  19          1HB       TRP  19  -4.023   5.109   5.109
  149    HD1  TRP  19           HD1      TRP  19  -0.781   5.760   5.760
  150    HE1  TRP  19           HE1      TRP  19   1.095   5.170   5.170
  151    HE3  TRP  19           HE3      TRP  19  -3.521   5.508   5.508
  152    HZ2  TRP  19           HZ2      TRP  19   1.355   4.680   4.680
  153    HZ3  TRP  19           HZ3      TRP  19  -2.365   4.959   4.959
  154    HH2  TRP  19           HH2      TRP  19   0.069   4.544   4.544
  155    H    ILE  20           H        ILE  20  -6.157   5.580   5.580
  156    HA   ILE  20           HA       ILE  20  -6.840   5.163   5.163
  157    HB   ILE  20           HB       ILE  20  -7.153   3.779   3.779
  158   1HG1  ILE  20          2HG1      ILE  20  -7.085   1.762   1.762
  159   2HG1  ILE  20          1HG1      ILE  20  -6.988   2.839   2.839
  160   1HG2  ILE  20          3HG2      ILE  20  -9.394   3.825   3.825
  161   2HG2  ILE  20          2HG2      ILE  20  -9.201   2.533   2.533
  162   3HG2  ILE  20          1HG2      ILE  20  -9.479   4.191   4.191
  163   1HD1  ILE  20          3HD1      ILE  20  -5.002   3.326   3.326
  164   2HD1  ILE  20          2HD1      ILE  20  -4.792   1.859   1.859
  165   3HD1  ILE  20          1HD1      ILE  20  -4.770   3.412   3.412
  166    H    LYS  21           H        LYS  21  -8.380   6.436   6.436
  167    HA   LYS  21           HA       LYS  21 -10.837   6.967   6.967
  168   1HB   LYS  21          2HB       LYS  21  -9.937   7.270   7.270
  169   2HB   LYS  21          1HB       LYS  21 -10.328   8.897   8.897
  170   1HG   LYS  21          2HG       LYS  21 -12.557   8.236   8.236
  171   2HG   LYS  21          1HG       LYS  21 -12.192   6.531   6.531
  172   1HD   LYS  21          2HD       LYS  21 -11.937   6.786   6.786
  173   2HD   LYS  21          1HD       LYS  21 -12.080   8.529   8.529
  174   1HE   LYS  21          2HE       LYS  21 -14.336   6.974   6.974
  175   2HE   LYS  21          1HE       LYS  21 -14.193   6.783   6.783
  176   1HZ   LYS  21          2HZ       LYS  21 -13.904   9.529   9.529
  177   2HZ   LYS  21          1HZ       LYS  21 -15.231   8.918   8.918
  178   3HZ   LYS  21          3HZ       LYS  21 -15.145   8.779   8.779
  179    H    ARG  22           H        ARG  22  -7.795   8.625   8.625
  180    HA   ARG  22           HA       ARG  22  -8.859  11.116  11.116
  181   1HB   ARG  22          2HB       ARG  22  -6.657  10.605  10.605
  182   2HB   ARG  22          1HB       ARG  22  -5.922  10.240  10.240
  183   1HG   ARG  22          2HG       ARG  22  -6.836  12.544  12.544
  184   2HG   ARG  22          1HG       ARG  22  -7.304  12.840  12.840
  185   1HD   ARG  22          2HD       ARG  22  -4.586  12.121  12.121
  186   2HD   ARG  22          1HD       ARG  22  -4.621  13.015  13.015
  187    HE   ARG  22           HE       ARG  22  -5.988  14.754  14.754
  188   1HH1  ARG  22          2HH1      ARG  22  -5.291  13.178  13.178
  189   2HH1  ARG  22          1HH1      ARG  22  -3.956  14.041  14.041
  190   1HH2  ARG  22          1HH2      ARG  22  -3.448  15.668  15.668
  191   2HH2  ARG  22          2HH2      ARG  22  -2.796  15.560  15.560
  192    H    LYS  23           H        LYS  23  -7.664   8.136   8.136
  193    HA   LYS  23           HA       LYS  23  -7.547   9.145   9.145
  194   1HB   LYS  23          2HB       LYS  23  -5.871   7.483   7.483
  195   2HB   LYS  23          1HB       LYS  23  -7.123   6.277   6.277
  196   1HG   LYS  23          2HG       LYS  23  -6.845   7.653   7.653
  197   2HG   LYS  23          1HG       LYS  23  -5.270   7.168   7.168
  198   1HD   LYS  23          2HD       LYS  23  -6.019   5.257   5.257
  199   2HD   LYS  23          1HD       LYS  23  -6.233   4.816   4.816
  200   1HE   LYS  23          2HE       LYS  23  -8.264   4.208   4.208
  201   2HE   LYS  23          1HE       LYS  23  -8.652   5.522   5.522
  202   1HZ   LYS  23          1HZ       LYS  23  -7.743   6.595   6.595
  203   2HZ   LYS  23          3HZ       LYS  23  -8.973   5.471   5.471
  204   3HZ   LYS  23          2HZ       LYS  23  -9.239   6.775   6.775
  205    H    ARG  24           H        ARG  24  -9.739   7.398   7.398
  206    HA   ARG  24           HA       ARG  24 -11.346   6.503   6.503
  207   1HB   ARG  24          2HB       ARG  24 -10.816   5.240   5.240
  208   2HB   ARG  24          1HB       ARG  24 -12.339   5.987   5.987
  209   1HG   ARG  24          2HG       ARG  24 -12.496   4.731   4.731
  210   2HG   ARG  24          1HG       ARG  24 -11.861   3.585   3.585
  211   1HD   ARG  24          2HD       ARG  24 -13.830   3.565   3.565
  212   2HD   ARG  24          1HD       ARG  24 -14.315   5.177   5.177
  213    HE   ARG  24           HE       ARG  24 -14.863   4.177   4.177
  214   1HH1  ARG  24          1HH2      ARG  24 -13.923   1.636   1.636
  215   2HH1  ARG  24          2HH2      ARG  24 -15.123   0.557   0.557
  216   1HH2  ARG  24          2HH1      ARG  24 -16.683   3.231   3.231
  217   2HH2  ARG  24          1HH1      ARG  24 -16.810   1.540   1.540
  218    H    GLN  25           H        GLN  25 -11.649   8.776   8.776
  219    HA   GLN  25           HA       GLN  25 -14.338   9.515   9.515
  220   1HB   GLN  25          2HB       GLN  25 -12.922  10.102  10.102
  221   2HB   GLN  25          1HB       GLN  25 -14.362  10.954  10.954
  222   1HG   GLN  25          2HG       GLN  25 -15.281   8.405   8.405
  223   2HG   GLN  25          1HG       GLN  25 -14.073   8.069   8.069
  224   1HE2  GLN  25          2HE2      GLN  25 -17.354  10.293  10.293
  225   2HE2  GLN  25          1HE2      GLN  25 -16.945  10.154  10.154
  226    H    GLN  26           H        GLN  26 -12.919  10.146  10.146
  227    HA   GLN  26           HA       GLN  26 -12.020  12.997  12.997
  228   1HB   GLN  26          2HB       GLN  26 -10.216  11.145  11.145
  229   2HB   GLN  26          1HB       GLN  26 -11.011  10.986  10.986
  230   1HG   GLN  26          2HG       GLN  26  -9.558  12.607  12.607
  231   2HG   GLN  26          1HG       GLN  26 -10.637  13.740  13.740
  232   1HE2  GLN  26          2HE2      GLN  26  -8.400  14.106  14.106
  233   2HE2  GLN  26          1HE2      GLN  26 -10.069  14.030  14.030
  234   1HN   NH2  27          1HT       GLN  26 -14.724  12.317  12.317
  235   2HN   NH2  27          2HT       GLN  26 -15.133  12.698  12.698

  Start of MODEL    2
    1   1H    GLY   1          2H        GLY   1   5.050  -2.134  -2.134
    2   2H    GLY   1          1H        GLY   1   6.230  -0.998  -0.998
    3   3H    GLY   1          3H        GLY   1   6.464  -2.654  -2.654
    4   1HA   GLY   1          2HA       GLY   1   5.393  -2.442  -2.442
    5   2HA   GLY   1          1HA       GLY   1   5.177  -0.706  -0.706
    6    H    ILE   2           H        ILE   2   2.992  -1.569  -1.569
    7    HA   ILE   2           HA       ILE   2   1.085  -2.286  -2.286
    8    HB   ILE   2           HB       ILE   2  -0.275  -3.376  -3.376
    9   1HG1  ILE   2          2HG1      ILE   2   2.297  -3.425  -3.425
   10   2HG1  ILE   2          1HG1      ILE   2   1.230  -2.057  -2.057
   11   1HG2  ILE   2          3HG2      ILE   2   1.301  -4.614  -4.614
   12   2HG2  ILE   2          2HG2      ILE   2   2.483  -4.620  -4.620
   13   3HG2  ILE   2          1HG2      ILE   2   0.941  -5.425  -5.425
   14   1HD1  ILE   2          3HD1      ILE   2   0.226  -4.926  -4.926
   15   2HD1  ILE   2          2HD1      ILE   2   0.851  -4.039  -4.039
   16   3HD1  ILE   2          1HD1      ILE   2  -0.585  -3.468  -3.468
   17    H    GLY   3           H        GLY   3  -0.581  -1.654  -1.654
   18   1HA   GLY   3          2HA       GLY   3  -2.010   0.049   0.049
   19   2HA   GLY   3          1HA       GLY   3  -0.623   1.091   1.091
   20    H    ALA   4           H        ALA   4  -0.291   1.765   1.765
   21    HA   ALA   4           HA       ALA   4  -2.911   2.773   2.773
   22   1HB   ALA   4          2HB       ALA   4  -0.996   4.397   4.397
   23   2HB   ALA   4          1HB       ALA   4  -0.126   3.643   3.643
   24   3HB   ALA   4          3HB       ALA   4  -1.648   4.462   4.462
   25    H    VAL   5           H        VAL   5  -0.230   0.729   0.729
   26    HA   VAL   5           HA       VAL   5  -0.661   0.575   0.575
   27    HB   VAL   5           HB       VAL   5   0.287  -1.700  -1.700
   28   1HG1  VAL   5          3HG1      VAL   5   0.890  -1.064  -1.064
   29   2HG1  VAL   5          2HG1      VAL   5   1.633  -2.366  -2.366
   30   3HG1  VAL   5          1HG1      VAL   5  -0.087  -2.396  -2.396
   31   1HG2  VAL   5          1HG2      VAL   5   1.729   0.783   0.783
   32   2HG2  VAL   5          3HG2      VAL   5   1.756   0.102   0.102
   33   3HG2  VAL   5          2HG2      VAL   5   2.628  -0.687  -0.687
   34    H    LEU   6           H        LEU   6  -2.462  -0.528  -0.528
   35    HA   LEU   6           HA       LEU   6  -4.038  -2.480  -2.480
   36   1HB   LEU   6          2HB       LEU   6  -4.760  -1.588  -1.588
   37   2HB   LEU   6          1HB       LEU   6  -5.021  -3.139  -3.139
   38    HG   LEU   6           HG       LEU   6  -2.329  -2.051  -2.051
   39   1HD1  LEU   6          1HD1      LEU   6  -3.981  -2.898  -2.898
   40   2HD1  LEU   6          3HD1      LEU   6  -3.967  -4.458  -4.458
   41   3HD1  LEU   6          2HD1      LEU   6  -2.510  -3.850  -3.850
   42   1HD2  LEU   6          2HD2      LEU   6  -3.004  -4.655  -4.655
   43   2HD2  LEU   6          1HD2      LEU   6  -1.878  -3.421  -3.421
   44   3HD2  LEU   6          3HD2      LEU   6  -1.502  -4.406  -4.406
   45    H    LYS   7           H        LYS   7  -4.082   0.803   0.803
   46    HA   LYS   7           HA       LYS   7  -7.017   1.101   1.101
   47   1HB   LYS   7          2HB       LYS   7  -4.897   2.743   2.743
   48   2HB   LYS   7          1HB       LYS   7  -5.981   3.664   3.664
   49   1HG   LYS   7          2HG       LYS   7  -7.400   3.749   3.749
   50   2HG   LYS   7          1HG       LYS   7  -7.800   2.078   2.078
   51   1HD   LYS   7          2HD       LYS   7  -5.959   1.324   1.324
   52   2HD   LYS   7          1HD       LYS   7  -5.585   2.977   2.977
   53   1HE   LYS   7          2HE       LYS   7  -8.160   1.439   1.439
   54   2HE   LYS   7          1HE       LYS   7  -6.995   2.053   2.053
   55   1HZ   LYS   7          1HZ       LYS   7  -7.883   4.202   4.202
   56   2HZ   LYS   7          3HZ       LYS   7  -9.246   3.365   3.365
   57   3HZ   LYS   7          2HZ       LYS   7  -8.123   3.972   3.972
   58    H    VAL   8           H        VAL   8  -4.291   0.888   0.888
   59    HA   VAL   8           HA       VAL   8  -4.869   2.936   2.936
   60    HB   VAL   8           HB       VAL   8  -2.834   0.676   0.676
   61   1HG1  VAL   8          3HG1      VAL   8  -3.317   0.908   0.908
   62   2HG1  VAL   8          2HG1      VAL   8  -2.720   2.560   2.560
   63   3HG1  VAL   8          1HG1      VAL   8  -1.664   1.214   1.214
   64   1HG2  VAL   8          3HG2      VAL   8  -2.644   2.924   2.924
   65   2HG2  VAL   8          2HG2      VAL   8  -1.224   2.401   2.401
   66   3HG2  VAL   8          1HG2      VAL   8  -2.260   3.649   3.649
   67    H    LEU   9           H        LEU   9  -4.941  -0.574  -0.574
   68    HA   LEU   9           HA       LEU   9  -6.342  -0.766  -0.766
   69   1HB   LEU   9          2HB       LEU   9  -6.195  -3.234  -3.234
   70   2HB   LEU   9          1HB       LEU   9  -4.756  -2.341  -2.341
   71    HG   LEU   9           HG       LEU   9  -4.055  -2.183  -2.183
   72   1HD1  LEU   9          1HD1      LEU   9  -6.806  -3.409  -3.409
   73   2HD1  LEU   9          3HD1      LEU   9  -5.528  -3.361  -3.361
   74   3HD1  LEU   9          2HD1      LEU   9  -6.210  -1.875  -1.875
   75   1HD2  LEU   9          2HD2      LEU   9  -3.565  -4.193  -4.193
   76   2HD2  LEU   9          1HD2      LEU   9  -3.774  -4.563  -4.563
   77   3HD2  LEU   9          3HD2      LEU   9  -5.059  -4.941  -4.941
   78    H    THR  10           H        THR  10  -7.577   0.228   0.228
   79    HA   THR  10           HA       THR  10  -9.916  -1.596  -1.596
   80    HB   THR  10           HB       THR  10 -10.121   0.263   0.263
   81    HG1  THR  10           HG1      THR  10  -7.536  -0.665  -0.665
   82   1HG2  THR  10          2HG2      THR  10  -8.738  -2.492  -2.492
   83   2HG2  THR  10          1HG2      THR  10  -9.009  -1.666  -1.666
   84   3HG2  THR  10          3HG2      THR  10 -10.371  -2.185  -2.185
   85    H    THR  11           H        THR  11  -8.834   1.426   1.426
   86    HA   THR  11           HA       THR  11 -11.657   2.364   2.364
   87    HB   THR  11           HB       THR  11  -9.157   4.198   4.198
   88    HG1  THR  11           HG1      THR  11 -10.338   2.756   2.756
   89   1HG2  THR  11          1HG2      THR  11 -11.777   4.828   4.828
   90   2HG2  THR  11          3HG2      THR  11 -11.857   4.949   4.949
   91   3HG2  THR  11          2HG2      THR  11 -10.715   5.932   5.932
   92    H    GLY  12           H        GLY  12  -8.379   2.760   2.760
   93   1HA   GLY  12          2HA       GLY  12  -9.412   1.946   1.946
   94   2HA   GLY  12          1HA       GLY  12  -8.608   3.509   3.509
   95    H    LEU  13           H        LEU  13  -6.611   3.400   3.400
   96    HA   LEU  13           HA       LEU  13  -4.740   1.438   1.438
   97   1HB   LEU  13          2HB       LEU  13  -5.825   1.208   1.208
   98   2HB   LEU  13          1HB       LEU  13  -4.079   1.412   1.412
   99    HG   LEU  13           HG       LEU  13  -5.362  -0.565  -0.565
  100   1HD1  LEU  13          2HD1      LEU  13  -5.025  -0.785  -0.785
  101   2HD1  LEU  13          1HD1      LEU  13  -4.520  -2.166  -2.166
  102   3HD1  LEU  13          3HD1      LEU  13  -6.162  -1.578  -1.578
  103   1HD2  LEU  13          2HD2      LEU  13  -2.868   0.215   0.215
  104   2HD2  LEU  13          1HD2      LEU  13  -3.149  -1.508  -1.508
  105   3HD2  LEU  13          3HD2      LEU  13  -2.625  -0.642  -0.642
  106    HA   PRO  14           HA       DPR  14  -2.110   4.837   4.837
  107   1HB   PRO  14          2HB       DPR  14  -2.399   5.854   5.854
  108   2HB   PRO  14          1HB       DPR  14  -3.738   6.810   6.810
  109   1HG   PRO  14          2HG       DPR  14  -3.878   4.399   4.399
  110   2HG   PRO  14          1HG       DPR  14  -5.177   5.484   5.484
  111   1HD   PRO  14          2HD       DPR  14  -4.781   2.870   2.870
  112   2HD   PRO  14          1HD       DPR  14  -5.899   4.082   4.082
  113    H    ALA  15           H        ALA  15  -1.924   5.495   5.495
  114    HA   ALA  15           HA       ALA  15  -3.489   7.879   7.879
  115   1HB   ALA  15          2HB       ALA  15  -0.996   8.042   8.042
  116   2HB   ALA  15          1HB       ALA  15  -0.915   6.803   6.803
  117   3HB   ALA  15          3HB       ALA  15  -1.661   8.351   8.351
  118    H    LEU  16           H        LEU  16  -3.446   4.539   4.539
  119    HA   LEU  16           HA       LEU  16  -3.740   4.490   4.490
  120   1HB   LEU  16          2HB       LEU  16  -4.950   2.888   2.888
  121   2HB   LEU  16          1HB       LEU  16  -5.513   2.594   2.594
  122    HG   LEU  16           HG       LEU  16  -3.549   1.152   1.152
  123   1HD1  LEU  16          3HD1      LEU  16  -3.455   2.688   2.688
  124   2HD1  LEU  16          2HD1      LEU  16  -2.420   1.314   1.314
  125   3HD1  LEU  16          1HD1      LEU  16  -4.155   1.106   1.106
  126   1HD2  LEU  16          3HD2      LEU  16  -2.146   2.942   2.942
  127   2HD2  LEU  16          2HD2      LEU  16  -1.293   2.028   2.028
  128   3HD2  LEU  16          1HD2      LEU  16  -1.894   3.626   3.626
  129    H    ILE  17           H        ILE  17  -6.170   5.249   5.249
  130    HA   ILE  17           HA       ILE  17  -8.401   5.489   5.489
  131    HB   ILE  17           HB       ILE  17  -9.019   7.211   7.211
  132   1HG1  ILE  17          2HG1      ILE  17  -7.909   6.668   6.668
  133   2HG1  ILE  17          1HG1      ILE  17  -6.677   5.747   5.747
  134   1HG2  ILE  17          3HG2      ILE  17  -8.669   4.233   4.233
  135   2HG2  ILE  17          2HG2      ILE  17  -9.655   5.272   5.272
  136   3HG2  ILE  17          1HG2      ILE  17 -10.082   5.045   5.045
  137   1HD1  ILE  17          2HD1      ILE  17  -7.209   8.604   8.604
  138   2HD1  ILE  17          1HD1      ILE  17  -6.303   8.262   8.262
  139   3HD1  ILE  17          3HD1      ILE  17  -5.712   7.677   7.677
  140    H    SER  18           H        SER  18  -5.710   7.554   7.554
  141    HA   SER  18           HA       SER  18  -6.977   9.786   9.786
  142   1HB   SER  18          2HB       SER  18  -5.547   9.990   9.990
  143   2HB   SER  18          1HB       SER  18  -4.184  10.016  10.016
  144    HG   SER  18           HG       SER  18  -6.062  11.926  11.926
  145    H    TRP  19           H        TRP  19  -5.452   7.125   7.125
  146    HA   TRP  19           HA       TRP  19  -3.716   8.233   8.233
  147   1HB   TRP  19          2HB       TRP  19  -3.222   6.202   6.202
  148   2HB   TRP  19          1HB       TRP  19  -3.760   5.248   5.248
  149    HD1  TRP  19           HD1      TRP  19  -0.741   6.329   6.329
  150    HE1  TRP  19           HE1      TRP  19   1.230   6.482   6.482
  151    HE3  TRP  19           HE3      TRP  19  -3.304   6.246   6.246
  152    HZ2  TRP  19           HZ2      TRP  19   1.632   6.534   6.534
  153    HZ3  TRP  19           HZ3      TRP  19  -2.025   6.341   6.341
  154    HH2  TRP  19           HH2      TRP  19   0.448   6.481   6.481
  155    H    ILE  20           H        ILE  20  -5.950   5.482   5.482
  156    HA   ILE  20           HA       ILE  20  -6.439   5.699   5.699
  157    HB   ILE  20           HB       ILE  20  -6.552   3.636   3.636
  158   1HG1  ILE  20          2HG1      ILE  20  -6.744   3.336   3.336
  159   2HG1  ILE  20          1HG1      ILE  20  -5.240   3.617   3.617
  160   1HG2  ILE  20          1HG2      ILE  20  -8.971   3.960   3.960
  161   2HG2  ILE  20          3HG2      ILE  20  -8.604   2.452   2.452
  162   3HG2  ILE  20          2HG2      ILE  20  -8.977   3.901   3.901
  163   1HD1  ILE  20          2HD1      ILE  20  -5.829   1.515   1.515
  164   2HD1  ILE  20          1HD1      ILE  20  -7.042   1.179   1.179
  165   3HD1  ILE  20          3HD1      ILE  20  -5.350   1.254   1.254
  166    H    LYS  21           H        LYS  21  -8.256   6.000   6.000
  167    HA   LYS  21           HA       LYS  21 -10.741   6.531   6.531
  168   1HB   LYS  21          2HB       LYS  21  -9.951   6.298   6.298
  169   2HB   LYS  21          1HB       LYS  21 -10.413   7.981   7.981
  170   1HG   LYS  21          2HG       LYS  21 -12.573   7.364   7.364
  171   2HG   LYS  21          1HG       LYS  21 -12.140   5.668   5.668
  172   1HD   LYS  21          2HD       LYS  21 -12.220   5.472   5.472
  173   2HD   LYS  21          1HD       LYS  21 -12.075   7.196   7.196
  174   1HE   LYS  21          2HE       LYS  21 -14.457   6.456   6.456
  175   2HE   LYS  21          1HE       LYS  21 -14.491   5.714   5.714
  176   1HZ   LYS  21          3HZ       LYS  21 -13.708   8.415   8.415
  177   2HZ   LYS  21          2HZ       LYS  21 -15.018   8.342   8.342
  178   3HZ   LYS  21          1HZ       LYS  21 -15.168   7.694   7.694
  179    H    ARG  22           H        ARG  22  -7.976   8.451   8.451
  180    HA   ARG  22           HA       ARG  22  -9.249  10.977  10.977
  181   1HB   ARG  22          2HB       ARG  22  -7.253  10.523  10.523
  182   2HB   ARG  22          1HB       ARG  22  -6.274  10.335  10.335
  183   1HG   ARG  22          2HG       ARG  22  -7.936  12.844  12.844
  184   2HG   ARG  22          1HG       ARG  22  -6.742  12.713  12.713
  185   1HD   ARG  22          2HD       ARG  22  -5.023  12.134  12.134
  186   2HD   ARG  22          1HD       ARG  22  -6.245  12.688  12.688
  187    HE   ARG  22           HE       ARG  22  -5.177  14.429  14.429
  188   1HH1  ARG  22          1HH2      ARG  22  -7.401  15.581  15.581
  189   2HH1  ARG  22          2HH2      ARG  22  -6.721  16.508  16.508
  190   1HH2  ARG  22          2HH1      ARG  22  -3.680  14.690  14.690
  191   2HH2  ARG  22          1HH1      ARG  22  -4.436  15.949  15.949
  192    H    LYS  23           H        LYS  23  -7.870   8.449   8.449
  193    HA   LYS  23           HA       LYS  23  -7.272  10.159  10.159
  194   1HB   LYS  23          2HB       LYS  23  -5.871   8.084   8.084
  195   2HB   LYS  23          1HB       LYS  23  -7.177   7.095   7.095
  196   1HG   LYS  23          2HG       LYS  23  -5.859   9.262   9.262
  197   2HG   LYS  23          1HG       LYS  23  -5.081   7.713   7.713
  198   1HD   LYS  23          2HD       LYS  23  -7.893   8.172   8.172
  199   2HD   LYS  23          1HD       LYS  23  -6.442   7.888   7.888
  200   1HE   LYS  23          2HE       LYS  23  -6.315   5.689   5.689
  201   2HE   LYS  23          1HE       LYS  23  -8.047   5.968   5.968
  202   1HZ   LYS  23          1HZ       LYS  23  -7.283   6.181   6.181
  203   2HZ   LYS  23          3HZ       LYS  23  -6.561   4.795   4.795
  204   3HZ   LYS  23          2HZ       LYS  23  -8.239   4.986   4.986
  205    H    ARG  24           H        ARG  24  -9.493   7.653   7.653
  206    HA   ARG  24           HA       ARG  24 -11.045   7.632   7.632
  207   1HB   ARG  24          2HB       ARG  24 -10.929   5.877   5.877
  208   2HB   ARG  24          1HB       ARG  24 -12.296   6.821   6.821
  209   1HG   ARG  24          2HG       ARG  24 -13.261   6.514   6.514
  210   2HG   ARG  24          1HG       ARG  24 -12.050   5.269   5.269
  211   1HD   ARG  24          2HD       ARG  24 -13.258   4.595   4.595
  212   2HD   ARG  24          1HD       ARG  24 -14.587   5.221   5.221
  213    HE   ARG  24           HE       ARG  24 -13.976   3.543   3.543
  214   1HH1  ARG  24          1HH2      ARG  24 -11.455   3.180   3.180
  215   2HH1  ARG  24          2HH2      ARG  24 -11.628   1.532   1.532
  216   1HH2  ARG  24          2HH1      ARG  24 -15.018   1.551   1.551
  217   2HH2  ARG  24          1HH1      ARG  24 -13.848   0.533   0.533
  218    H    GLN  25           H        GLN  25 -11.555   9.144   9.144
  219    HA   GLN  25           HA       GLN  25 -13.964  10.512  10.512
  220   1HB   GLN  25          2HB       GLN  25 -12.494  10.854  10.854
  221   2HB   GLN  25          1HB       GLN  25 -14.101  11.428  11.428
  222   1HG   GLN  25          2HG       GLN  25 -14.566   8.812   8.812
  223   2HG   GLN  25          1HG       GLN  25 -13.149   8.573   8.573
  224   1HE2  GLN  25          2HE2      GLN  25 -16.377  10.313  10.313
  225   2HE2  GLN  25          1HE2      GLN  25 -16.013  10.764  10.764
  226    H    GLN  26           H        GLN  26 -12.521  11.293  11.293
  227    HA   GLN  26           HA       GLN  26 -11.276  13.911  13.911
  228   1HB   GLN  26          2HB       GLN  26  -9.700  12.039  12.039
  229   2HB   GLN  26          1HB       GLN  26 -10.512  12.146  12.146
  230   1HG   GLN  26          2HG       GLN  26  -9.785  14.852  14.852
  231   2HG   GLN  26          1HG       GLN  26  -8.393  13.844  13.844
  232   1HE2  GLN  26          2HE2      GLN  26  -7.572  14.273  14.273
  233   2HE2  GLN  26          1HE2      GLN  26  -7.103  14.468  14.468
  234   1HN   NH2  27          1HT       GLN  26 -11.434  13.543  13.543
  235   2HN   NH2  27          2HT       GLN  26 -12.910  14.348  14.348

  Start of MODEL    3
    1   1H    GLY   1          1H        GLY   1   4.834  -2.860  -2.860
    2   2H    GLY   1          3H        GLY   1   6.078  -2.426  -2.426
    3   3H    GLY   1          2H        GLY   1   5.843  -4.057  -4.057
    4   1HA   GLY   1          2HA       GLY   1   4.370  -4.297  -4.297
    5   2HA   GLY   1          1HA       GLY   1   4.593  -2.585  -2.585
    6    H    ILE   2           H        ILE   2   2.076  -3.262  -3.262
    7    HA   ILE   2           HA       ILE   2   0.616  -2.510  -2.510
    8    HB   ILE   2           HB       ILE   2  -1.286  -3.815  -3.815
    9   1HG1  ILE   2          2HG1      ILE   2   0.064  -5.225  -5.225
   10   2HG1  ILE   2          1HG1      ILE   2   0.053  -3.519  -3.519
   11   1HG2  ILE   2          2HG2      ILE   2   0.547  -4.948  -4.948
   12   2HG2  ILE   2          1HG2      ILE   2   1.209  -5.530  -5.530
   13   3HG2  ILE   2          3HG2      ILE   2  -0.399  -6.014  -6.014
   14   1HD1  ILE   2          2HD1      ILE   2  -2.449  -5.042  -5.042
   15   2HD1  ILE   2          1HD1      ILE   2  -1.963  -4.789  -4.789
   16   3HD1  ILE   2          3HD1      ILE   2  -2.370  -3.413  -3.413
   17    H    GLY   3           H        GLY   3  -1.831  -2.047  -2.047
   18   1HA   GLY   3          2HA       GLY   3  -2.576  -0.533  -0.533
   19   2HA   GLY   3          1HA       GLY   3  -1.091   0.397   0.397
   20    H    ALA   4           H        ALA   4  -0.792   1.237   1.237
   21    HA   ALA   4           HA       ALA   4  -3.333   2.551   2.551
   22   1HB   ALA   4          1HB       ALA   4  -1.032   3.792   3.792
   23   2HB   ALA   4          3HB       ALA   4  -0.599   3.168   3.168
   24   3HB   ALA   4          2HB       ALA   4  -1.993   4.211   4.211
   25    H    VAL   5           H        VAL   5  -0.685   0.742   0.742
   26    HA   VAL   5           HA       VAL   5  -1.004   0.394   0.394
   27    HB   VAL   5           HB       VAL   5  -0.763  -2.047  -2.047
   28   1HG1  VAL   5          1HG1      VAL   5   0.286  -1.360  -1.360
   29   2HG1  VAL   5          3HG1      VAL   5   0.975  -2.665  -2.665
   30   3HG1  VAL   5          2HG1      VAL   5  -0.707  -2.718  -2.718
   31   1HG2  VAL   5          1HG2      VAL   5   1.222   0.198   0.198
   32   2HG2  VAL   5          3HG2      VAL   5   0.785  -0.479  -0.479
   33   3HG2  VAL   5          2HG2      VAL   5   1.776  -1.397  -1.397
   34    H    LEU   6           H        LEU   6  -3.306  -0.903  -0.903
   35    HA   LEU   6           HA       LEU   6  -4.758  -2.461  -2.461
   36   1HB   LEU   6          2HB       LEU   6  -5.948  -1.519  -1.519
   37   2HB   LEU   6          1HB       LEU   6  -6.315  -2.976  -2.976
   38    HG   LEU   6           HG       LEU   6  -3.523  -2.539  -2.539
   39   1HD1  LEU   6          1HD1      LEU   6  -5.225  -2.335  -2.335
   40   2HD1  LEU   6          3HD1      LEU   6  -5.862  -3.908  -3.908
   41   3HD1  LEU   6          2HD1      LEU   6  -4.225  -3.765  -3.765
   42   1HD2  LEU   6          3HD2      LEU   6  -5.107  -4.967  -4.967
   43   2HD2  LEU   6          2HD2      LEU   6  -3.603  -4.358  -4.358
   44   3HD2  LEU   6          1HD2      LEU   6  -3.620  -5.106  -5.106
   45    H    LYS   7           H        LYS   7  -5.347   0.546   0.546
   46    HA   LYS   7           HA       LYS   7  -7.772   1.351   1.351
   47   1HB   LYS   7          2HB       LYS   7  -5.838   2.607   2.607
   48   2HB   LYS   7          1HB       LYS   7  -5.687   3.513   3.513
   49   1HG   LYS   7          2HG       LYS   7  -8.198   3.837   3.837
   50   2HG   LYS   7          1HG       LYS   7  -8.239   3.062   3.062
   51   1HD   LYS   7          2HD       LYS   7  -7.254   4.895   4.895
   52   2HD   LYS   7          1HD       LYS   7  -6.327   5.379   5.379
   53   1HE   LYS   7          2HE       LYS   7  -8.351   6.881   6.881
   54   2HE   LYS   7          1HE       LYS   7  -8.113   6.593   6.593
   55   1HZ   LYS   7          2HZ       LYS   7  -9.673   4.492   4.492
   56   2HZ   LYS   7          1HZ       LYS   7 -10.355   5.952   5.952
   57   3HZ   LYS   7          3HZ       LYS   7 -10.116   5.664   5.664
   58    H    VAL   8           H        VAL   8  -4.610   1.629   1.629
   59    HA   VAL   8           HA       VAL   8  -4.948   3.071   3.071
   60    HB   VAL   8           HB       VAL   8  -3.278   0.519   0.519
   61   1HG1  VAL   8          2HG1      VAL   8  -3.293   1.518   1.518
   62   2HG1  VAL   8          1HG1      VAL   8  -2.760   3.050   3.050
   63   3HG1  VAL   8          3HG1      VAL   8  -1.718   1.639   1.639
   64   1HG2  VAL   8          1HG2      VAL   8  -2.850   3.356   3.356
   65   2HG2  VAL   8          3HG2      VAL   8  -2.741   1.867   1.867
   66   3HG2  VAL   8          2HG2      VAL   8  -1.496   2.277   2.277
   67    H    LEU   9           H        LEU   9  -5.269  -0.417  -0.417
   68    HA   LEU   9           HA       LEU   9  -6.390  -0.877  -0.877
   69   1HB   LEU   9          2HB       LEU   9  -6.821  -2.853  -2.853
   70   2HB   LEU   9          1HB       LEU   9  -6.353  -3.124  -3.124
   71    HG   LEU   9           HG       LEU   9  -4.545  -2.071  -2.071
   72   1HD1  LEU   9          2HD1      LEU   9  -4.677  -4.688  -4.688
   73   2HD1  LEU   9          1HD1      LEU   9  -3.361  -4.212  -4.212
   74   3HD1  LEU   9          3HD1      LEU   9  -4.985  -4.412  -4.412
   75   1HD2  LEU   9          2HD2      LEU   9  -4.013  -1.120  -1.120
   76   2HD2  LEU   9          1HD2      LEU   9  -2.741  -2.040  -2.040
   77   3HD2  LEU   9          3HD2      LEU   9  -3.710  -2.772  -2.772
   78    H    THR  10           H        THR  10  -7.863   0.726   0.726
   79    HA   THR  10           HA       THR  10 -10.534  -0.538  -0.538
   80    HB   THR  10           HB       THR  10 -10.574   1.571   1.571
   81    HG1  THR  10           HG1      THR  10  -8.476  -0.238  -0.238
   82   1HG2  THR  10          3HG2      THR  10 -11.085  -1.444  -1.444
   83   2HG2  THR  10          2HG2      THR  10 -11.493  -0.339  -0.339
   84   3HG2  THR  10          1HG2      THR  10 -12.300  -0.201  -0.201
   85    H    THR  11           H        THR  11  -8.462   1.772   1.772
   86    HA   THR  11           HA       THR  11 -10.628   3.607   3.607
   87    HB   THR  11           HB       THR  11  -7.669   4.306   4.306
   88    HG1  THR  11           HG1      THR  11  -9.835   3.896   3.896
   89   1HG2  THR  11          3HG2      THR  11 -10.171   6.056   6.056
   90   2HG2  THR  11          2HG2      THR  11  -8.537   6.616   6.616
   91   3HG2  THR  11          1HG2      THR  11  -8.927   5.933   5.933
   92    H    GLY  12           H        GLY  12  -7.201   2.585   2.585
   93   1HA   GLY  12          2HA       GLY  12  -8.191   1.704   1.704
   94   2HA   GLY  12          1HA       GLY  12  -7.118   3.112   3.112
   95    H    LEU  13           H        LEU  13  -5.233   2.578   2.578
   96    HA   LEU  13           HA       LEU  13  -3.738   0.468   0.468
   97   1HB   LEU  13          2HB       LEU  13  -2.945  -0.522  -0.522
   98   2HB   LEU  13          1HB       LEU  13  -4.694  -0.653  -0.653
   99    HG   LEU  13           HG       LEU  13  -3.274   1.603   1.603
  100   1HD1  LEU  13          3HD1      LEU  13  -2.622  -0.609  -0.609
  101   2HD1  LEU  13          2HD1      LEU  13  -4.314  -1.009  -1.009
  102   3HD1  LEU  13          1HD1      LEU  13  -3.588   0.312   0.312
  103   1HD2  LEU  13          3HD2      LEU  13  -6.140   0.775   0.775
  104   2HD2  LEU  13          2HD2      LEU  13  -5.495   2.370   2.370
  105   3HD2  LEU  13          1HD2      LEU  13  -5.720   1.187   1.187
  106    HA   PRO  14           HA       DPR  14  -1.009   4.030   4.030
  107   1HB   PRO  14          2HB       DPR  14  -1.133   4.629   4.629
  108   2HB   PRO  14          1HB       DPR  14  -1.692   6.149   6.149
  109   1HG   PRO  14          2HG       DPR  14  -3.212   4.649   4.649
  110   2HG   PRO  14          1HG       DPR  14  -3.915   5.726   5.726
  111   1HD   PRO  14          2HD       DPR  14  -4.160   2.835   2.835
  112   2HD   PRO  14          1HD       DPR  14  -4.772   3.985   3.985
  113    H    ALA  15           H        ALA  15  -1.137   6.539   6.539
  114    HA   ALA  15           HA       ALA  15  -2.921   8.158   8.158
  115   1HB   ALA  15          3HB       ALA  15  -0.486   8.526   8.526
  116   2HB   ALA  15          2HB       ALA  15  -0.394   7.412   7.412
  117   3HB   ALA  15          1HB       ALA  15  -1.292   8.914   8.914
  118    H    LEU  16           H        LEU  16  -2.395   5.145   5.145
  119    HA   LEU  16           HA       LEU  16  -3.149   5.430   5.430
  120   1HB   LEU  16          2HB       LEU  16  -3.672   3.311   3.311
  121   2HB   LEU  16          1HB       LEU  16  -4.396   3.134   3.134
  122    HG   LEU  16           HG       LEU  16  -2.123   2.019   2.019
  123   1HD1  LEU  16          3HD1      LEU  16  -2.505   3.980   3.980
  124   2HD1  LEU  16          2HD1      LEU  16  -1.335   2.675   2.675
  125   3HD1  LEU  16          1HD1      LEU  16  -3.042   2.308   2.308
  126   1HD2  LEU  16          1HD2      LEU  16  -0.940   3.820   3.820
  127   2HD2  LEU  16          3HD2      LEU  16  -0.103   3.373   3.373
  128   3HD2  LEU  16          2HD2      LEU  16  -1.039   4.852   4.852
  129    H    ILE  17           H        ILE  17  -5.247   5.421   5.421
  130    HA   ILE  17           HA       ILE  17  -7.729   5.272   5.272
  131    HB   ILE  17           HB       ILE  17  -8.067   7.134   7.134
  132   1HG1  ILE  17          2HG1      ILE  17  -7.203   5.520   5.520
  133   2HG1  ILE  17          1HG1      ILE  17  -6.103   4.871   4.871
  134   1HG2  ILE  17          3HG2      ILE  17  -9.639   5.416   5.416
  135   2HG2  ILE  17          2HG2      ILE  17  -8.614   4.168   4.168
  136   3HG2  ILE  17          1HG2      ILE  17  -9.405   5.348   5.348
  137   1HD1  ILE  17          3HD1      ILE  17  -5.309   7.326   7.326
  138   2HD1  ILE  17          2HD1      ILE  17  -6.317   7.729   7.729
  139   3HD1  ILE  17          1HD1      ILE  17  -4.965   6.629   6.629
  140    H    SER  18           H        SER  18  -5.602   7.938   7.938
  141    HA   SER  18           HA       SER  18  -7.522   9.838   9.838
  142   1HB   SER  18          2HB       SER  18  -5.336  10.071  10.071
  143   2HB   SER  18          1HB       SER  18  -5.132  11.253  11.253
  144    HG   SER  18           HG       SER  18  -7.188  10.927  10.927
  145    H    TRP  19           H        TRP  19  -5.454   7.706   7.706
  146    HA   TRP  19           HA       TRP  19  -4.179   9.154   9.154
  147   1HB   TRP  19          2HB       TRP  19  -3.074   7.407   7.407
  148   2HB   TRP  19          1HB       TRP  19  -3.610   6.218   6.218
  149    HD1  TRP  19           HD1      TRP  19  -0.584   7.842   7.842
  150    HE1  TRP  19           HE1      TRP  19   1.177   7.920   7.920
  151    HE3  TRP  19           HE3      TRP  19  -3.564   6.847   6.847
  152    HZ2  TRP  19           HZ2      TRP  19   1.312   7.618   7.618
  153    HZ3  TRP  19           HZ3      TRP  19  -2.497   6.756   6.756
  154    HH2  TRP  19           HH2      TRP  19  -0.070   7.139   7.139
  155    H    ILE  20           H        ILE  20  -5.392   5.775   5.775
  156    HA   ILE  20           HA       ILE  20  -6.537   6.057   6.057
  157    HB   ILE  20           HB       ILE  20  -5.747   3.907   3.907
  158   1HG1  ILE  20          2HG1      ILE  20  -6.588   3.749   3.749
  159   2HG1  ILE  20          1HG1      ILE  20  -5.034   4.368   4.368
  160   1HG2  ILE  20          1HG2      ILE  20  -8.460   3.613   3.613
  161   2HG2  ILE  20          3HG2      ILE  20  -7.582   2.299   2.299
  162   3HG2  ILE  20          2HG2      ILE  20  -8.189   3.648   3.648
  163   1HD1  ILE  20          3HD1      ILE  20  -4.950   2.029   2.029
  164   2HD1  ILE  20          2HD1      ILE  20  -6.035   1.541   1.541
  165   3HD1  ILE  20          1HD1      ILE  20  -4.437   2.146   2.146
  166    H    LYS  21           H        LYS  21  -7.905   5.943   5.943
  167    HA   LYS  21           HA       LYS  21 -10.587   5.821   5.821
  168   1HB   LYS  21          2HB       LYS  21  -9.376   5.778   5.778
  169   2HB   LYS  21          1HB       LYS  21 -10.739   6.869   6.869
  170   1HG   LYS  21          2HG       LYS  21 -11.008   4.181   4.181
  171   2HG   LYS  21          1HG       LYS  21 -10.986   4.206   4.206
  172   1HD   LYS  21          2HD       LYS  21 -12.809   6.198   6.198
  173   2HD   LYS  21          1HD       LYS  21 -12.971   5.460   5.460
  174   1HE   LYS  21          2HE       LYS  21 -14.629   4.514   4.514
  175   2HE   LYS  21          1HE       LYS  21 -13.482   3.254   3.254
  176   1HZ   LYS  21          2HZ       LYS  21 -12.517   4.645   4.645
  177   2HZ   LYS  21          1HZ       LYS  21 -14.137   4.191   4.191
  178   3HZ   LYS  21          3HZ       LYS  21 -12.988   3.024   3.024
  179    H    ARG  22           H        ARG  22  -8.305   8.234   8.234
  180    HA   ARG  22           HA       ARG  22 -10.321  10.415  10.415
  181   1HB   ARG  22          2HB       ARG  22  -8.180  10.862  10.862
  182   2HB   ARG  22          1HB       ARG  22  -7.284  10.281  10.281
  183   1HG   ARG  22          2HG       ARG  22  -7.782  12.195  12.195
  184   2HG   ARG  22          1HG       ARG  22  -9.115  12.692  12.692
  185   1HD   ARG  22          2HD       ARG  22  -6.345  12.713  12.713
  186   2HD   ARG  22          1HD       ARG  22  -6.714  13.927  13.927
  187    HE   ARG  22           HE       ARG  22  -8.781  14.483  14.483
  188   1HH1  ARG  22          2HH1      ARG  22  -7.200  12.195  12.195
  189   2HH1  ARG  22          1HH1      ARG  22  -7.057  12.935  12.935
  190   1HH2  ARG  22          1HH2      ARG  22  -8.070  16.066  16.066
  191   2HH2  ARG  22          2HH2      ARG  22  -7.540  15.379  15.379
  192    H    LYS  23           H        LYS  23  -7.879   9.047   9.047
  193    HA   LYS  23           HA       LYS  23  -8.669  10.482  10.482
  194   1HB   LYS  23          2HB       LYS  23  -6.470   9.346   9.346
  195   2HB   LYS  23          1HB       LYS  23  -7.260   7.790   7.790
  196   1HG   LYS  23          2HG       LYS  23  -8.069   9.337   9.337
  197   2HG   LYS  23          1HG       LYS  23  -6.340   9.508   9.508
  198   1HD   LYS  23          2HD       LYS  23  -6.379   7.548   7.548
  199   2HD   LYS  23          1HD       LYS  23  -6.317   6.903   6.903
  200   1HE   LYS  23          2HE       LYS  23  -8.024   5.632   5.632
  201   2HE   LYS  23          1HE       LYS  23  -8.887   6.788   6.788
  202   1HZ   LYS  23          1HZ       LYS  23  -8.455   7.994   7.994
  203   2HZ   LYS  23          3HZ       LYS  23  -9.058   6.443   6.443
  204   3HZ   LYS  23          2HZ       LYS  23  -9.925   7.531   7.531
  205    H    ARG  24           H        ARG  24  -9.647   7.223   7.223
  206    HA   ARG  24           HA       ARG  24 -11.088   6.427   6.427
  207   1HB   ARG  24          2HB       ARG  24 -10.829   5.283   5.283
  208   2HB   ARG  24          1HB       ARG  24 -12.437   5.951   5.951
  209   1HG   ARG  24          2HG       ARG  24 -12.825   4.863   4.863
  210   2HG   ARG  24          1HG       ARG  24 -11.407   3.927   3.927
  211   1HD   ARG  24          2HD       ARG  24 -12.563   2.577   2.577
  212   2HD   ARG  24          1HD       ARG  24 -13.419   3.908   3.908
  213    HE   ARG  24           HE       ARG  24 -14.228   2.727   2.727
  214   1HH1  ARG  24          1HH2      ARG  24 -15.068   5.345   5.345
  215   2HH1  ARG  24          2HH2      ARG  24 -16.664   4.983   4.983
  216   1HH2  ARG  24          2HH1      ARG  24 -16.077   1.489   1.489
  217   2HH2  ARG  24          1HH1      ARG  24 -17.279   2.596   2.596
  218    H    GLN  25           H        GLN  25 -12.012   8.892   8.892
  219    HA   GLN  25           HA       GLN  25 -14.692   9.092   9.092
  220   1HB   GLN  25          2HB       GLN  25 -15.030  10.860  10.860
  221   2HB   GLN  25          1HB       GLN  25 -15.088   9.163   9.163
  222   1HG   GLN  25          2HG       GLN  25 -12.770   9.189   9.189
  223   2HG   GLN  25          1HG       GLN  25 -12.599  10.876  10.876
  224   1HE2  GLN  25          2HE2      GLN  25 -13.812  11.897  11.897
  225   2HE2  GLN  25          1HE2      GLN  25 -12.744  12.193  12.193
  226    H    GLN  26           H        GLN  26 -11.695  10.778  10.778
  227    HA   GLN  26           HA       GLN  26 -12.665  13.015  13.015
  228   1HB   GLN  26          2HB       GLN  26 -10.307  13.039  13.039
  229   2HB   GLN  26          1HB       GLN  26 -10.932  14.410  14.410
  230   1HG   GLN  26          2HG       GLN  26 -13.126  14.173  14.173
  231   2HG   GLN  26          1HG       GLN  26 -12.419  12.865  12.865
  232   1HE2  GLN  26          2HE2      GLN  26 -11.304  16.693  16.693
  233   2HE2  GLN  26          1HE2      GLN  26 -12.154  16.367  16.367
  234   1HN   NH2  27          1HT       GLN  26 -12.109  11.980  11.980
  235   2HN   NH2  27          2HT       GLN  26 -10.505  11.587  11.587

  Start of MODEL    4
    1   1H    GLY   1          3H        GLY   1   4.678  -4.045  -4.045
    2   2H    GLY   1          2H        GLY   1   5.894  -3.256  -3.256
    3   3H    GLY   1          1H        GLY   1   5.386  -4.820  -4.820
    4   1HA   GLY   1          2HA       GLY   1   3.807  -3.953  -3.953
    5   2HA   GLY   1          1HA       GLY   1   4.313  -2.322  -2.322
    6    H    ILE   2           H        ILE   2   1.556  -2.937  -2.937
    7    HA   ILE   2           HA       ILE   2   0.642  -2.952  -2.952
    8    HB   ILE   2           HB       ILE   2  -1.555  -3.878  -3.878
    9   1HG1  ILE   2          2HG1      ILE   2   0.555  -4.892  -4.892
   10   2HG1  ILE   2          1HG1      ILE   2  -0.585  -3.620  -3.620
   11   1HG2  ILE   2          2HG2      ILE   2   1.002  -5.385  -5.385
   12   2HG2  ILE   2          1HG2      ILE   2  -0.476  -6.243  -6.243
   13   3HG2  ILE   2          3HG2      ILE   2  -0.416  -5.165  -5.165
   14   1HD1  ILE   2          1HD1      ILE   2  -1.855  -6.092  -6.092
   15   2HD1  ILE   2          3HD1      ILE   2  -1.050  -6.283  -6.283
   16   3HD1  ILE   2          2HD1      ILE   2  -2.318  -5.090  -5.090
   17    H    GLY   3           H        GLY   3   0.432  -1.372  -1.372
   18   1HA   GLY   3          2HA       GLY   3  -1.521   0.170   0.170
   19   2HA   GLY   3          1HA       GLY   3  -0.031   1.007   1.007
   20    H    ALA   4           H        ALA   4   0.195   1.408   1.408
   21    HA   ALA   4           HA       ALA   4  -2.337   2.752   2.752
   22   1HB   ALA   4          1HB       ALA   4   0.526   3.082   3.082
   23   2HB   ALA   4          3HB       ALA   4  -0.867   3.968   3.968
   24   3HB   ALA   4          2HB       ALA   4  -0.342   4.191   4.191
   25    H    VAL   5           H        VAL   5  -0.071   0.325   0.325
   26    HA   VAL   5           HA       VAL   5  -0.702  -0.103  -0.103
   27    HB   VAL   5           HB       VAL   5  -0.244  -2.466  -2.466
   28   1HG1  VAL   5          3HG1      VAL   5  -0.381  -2.850  -2.850
   29   2HG1  VAL   5          2HG1      VAL   5   0.924  -1.710  -1.710
   30   3HG1  VAL   5          1HG1      VAL   5   1.235  -3.216  -3.216
   31   1HG2  VAL   5          3HG2      VAL   5   1.783  -0.255  -0.255
   32   2HG2  VAL   5          2HG2      VAL   5   1.391  -0.936  -0.936
   33   3HG2  VAL   5          1HG2      VAL   5   2.297  -1.882  -1.882
   34    H    LEU   6           H        LEU   6  -2.500  -0.787  -0.787
   35    HA   LEU   6           HA       LEU   6  -4.459  -2.482  -2.482
   36   1HB   LEU   6          2HB       LEU   6  -4.276  -1.535  -1.535
   37   2HB   LEU   6          1HB       LEU   6  -5.663  -2.422  -2.422
   38    HG   LEU   6           HG       LEU   6  -2.807  -3.393  -3.393
   39   1HD1  LEU   6          3HD1      LEU   6  -5.053  -4.097  -4.097
   40   2HD1  LEU   6          2HD1      LEU   6  -3.541  -4.975  -4.975
   41   3HD1  LEU   6          1HD1      LEU   6  -3.549  -3.290  -3.290
   42   1HD2  LEU   6          2HD2      LEU   6  -5.438  -4.487  -4.487
   43   2HD2  LEU   6          1HD2      LEU   6  -3.825  -4.737  -4.737
   44   3HD2  LEU   6          3HD2      LEU   6  -4.353  -5.647  -5.647
   45    H    LYS   7           H        LYS   7  -4.079   0.804   0.804
   46    HA   LYS   7           HA       LYS   7  -6.997   1.336   1.336
   47   1HB   LYS   7          2HB       LYS   7  -4.787   2.727   2.727
   48   2HB   LYS   7          1HB       LYS   7  -5.708   3.820   3.820
   49   1HG   LYS   7          2HG       LYS   7  -6.985   1.899   1.899
   50   2HG   LYS   7          1HG       LYS   7  -6.580   3.560   3.560
   51   1HD   LYS   7          2HD       LYS   7  -8.258   4.476   4.476
   52   2HD   LYS   7          1HD       LYS   7  -8.240   3.135   3.135
   53   1HE   LYS   7          2HE       LYS   7 -10.322   2.910   2.910
   54   2HE   LYS   7          1HE       LYS   7  -9.312   1.694   1.694
   55   1HZ   LYS   7          2HZ       LYS   7  -8.961   4.107   4.107
   56   2HZ   LYS   7          1HZ       LYS   7 -10.634   3.841   3.841
   57   3HZ   LYS   7          3HZ       LYS   7  -9.639   2.669   2.669
   58    H    VAL   8           H        VAL   8  -4.472   0.885   0.885
   59    HA   VAL   8           HA       VAL   8  -5.020   3.019   3.019
   60    HB   VAL   8           HB       VAL   8  -2.958   0.788   0.788
   61   1HG1  VAL   8          2HG1      VAL   8  -3.459   0.899   0.899
   62   2HG1  VAL   8          1HG1      VAL   8  -2.850   2.550   2.550
   63   3HG1  VAL   8          3HG1      VAL   8  -1.805   1.217   1.217
   64   1HG2  VAL   8          3HG2      VAL   8  -2.941   3.272   3.272
   65   2HG2  VAL   8          2HG2      VAL   8  -1.473   2.438   2.438
   66   3HG2  VAL   8          1HG2      VAL   8  -2.149   3.640   3.640
   67    H    LEU   9           H        LEU   9  -5.142  -0.473  -0.473
   68    HA   LEU   9           HA       LEU   9  -6.515  -0.687  -0.687
   69   1HB   LEU   9          2HB       LEU   9  -6.234  -2.945  -2.945
   70   2HB   LEU   9          1HB       LEU   9  -4.763  -2.232  -2.232
   71    HG   LEU   9           HG       LEU   9  -6.969  -3.688  -3.688
   72   1HD1  LEU   9          3HD1      LEU   9  -4.917  -4.765  -4.765
   73   2HD1  LEU   9          2HD1      LEU   9  -3.929  -3.816  -3.816
   74   3HD1  LEU   9          1HD1      LEU   9  -5.062  -5.014  -5.014
   75   1HD2  LEU   9          1HD2      LEU   9  -4.842  -1.952  -1.952
   76   2HD2  LEU   9          3HD2      LEU   9  -6.567  -1.587  -1.587
   77   3HD2  LEU   9          2HD2      LEU   9  -5.977  -3.012  -3.012
   78    H    THR  10           H        THR  10  -7.690   0.522   0.522
   79    HA   THR  10           HA       THR  10 -10.106  -1.141  -1.141
   80    HB   THR  10           HB       THR  10 -10.004   1.337   1.337
   81    HG1  THR  10           HG1      THR  10  -7.818  -0.299  -0.299
   82   1HG2  THR  10          3HG2      THR  10  -9.599  -1.651  -1.651
   83   2HG2  THR  10          2HG2      THR  10  -9.758  -0.378  -0.378
   84   3HG2  THR  10          1HG2      THR  10 -11.099  -0.758  -0.758
   85    H    THR  11           H        THR  11  -8.960   1.605   1.605
   86    HA   THR  11           HA       THR  11 -11.773   2.329   2.329
   87    HB   THR  11           HB       THR  11  -9.389   4.303   4.303
   88    HG1  THR  11           HG1      THR  11 -11.455   4.498   4.498
   89   1HG2  THR  11          3HG2      THR  11 -11.459   4.907   4.907
   90   2HG2  THR  11          2HG2      THR  11 -12.456   4.776   4.776
   91   3HG2  THR  11          1HG2      THR  11 -11.201   6.004   6.004
   92    H    GLY  12           H        GLY  12  -8.396   2.796   2.796
   93   1HA   GLY  12          2HA       GLY  12  -9.139   1.588   1.588
   94   2HA   GLY  12          1HA       GLY  12  -8.454   3.207   3.207
   95    H    LEU  13           H        LEU  13  -6.410   3.220   3.220
   96    HA   LEU  13           HA       LEU  13  -4.481   1.384   1.384
   97   1HB   LEU  13          2HB       LEU  13  -5.146   1.430   1.430
   98   2HB   LEU  13          1HB       LEU  13  -3.439   1.369   1.369
   99    HG   LEU  13           HG       LEU  13  -4.842  -0.575  -0.575
  100   1HD1  LEU  13          1HD1      LEU  13  -5.494  -0.652  -0.652
  101   2HD1  LEU  13          3HD1      LEU  13  -5.580  -2.064  -2.064
  102   3HD1  LEU  13          2HD1      LEU  13  -6.611  -0.682  -0.682
  103   1HD2  LEU  13          3HD2      LEU  13  -2.407  -0.593  -0.593
  104   2HD2  LEU  13          2HD2      LEU  13  -3.251  -2.108  -2.108
  105   3HD2  LEU  13          1HD2      LEU  13  -2.970  -1.045  -1.045
  106    HA   PRO  14           HA       DPR  14  -2.160   5.057   5.057
  107   1HB   PRO  14          2HB       DPR  14  -2.686   6.108   6.108
  108   2HB   PRO  14          1HB       DPR  14  -4.137   6.821   6.821
  109   1HG   PRO  14          2HG       DPR  14  -3.886   4.314   4.314
  110   2HG   PRO  14          1HG       DPR  14  -5.309   5.297   5.297
  111   1HD   PRO  14          2HD       DPR  14  -4.873   2.831   2.831
  112   2HD   PRO  14          1HD       DPR  14  -5.923   4.099   4.099
  113    H    ALA  15           H        ALA  15  -1.917   5.766   5.766
  114    HA   ALA  15           HA       ALA  15  -3.661   8.037   8.037
  115   1HB   ALA  15          3HB       ALA  15  -1.226   8.448   8.448
  116   2HB   ALA  15          2HB       ALA  15  -0.940   7.233   7.233
  117   3HB   ALA  15          1HB       ALA  15  -1.822   8.701   8.701
  118    H    LEU  16           H        LEU  16  -3.261   4.764   4.764
  119    HA   LEU  16           HA       LEU  16  -3.451   4.692   4.692
  120   1HB   LEU  16          2HB       LEU  16  -4.601   3.040   3.040
  121   2HB   LEU  16          1HB       LEU  16  -5.114   2.672   2.672
  122    HG   LEU  16           HG       LEU  16  -3.076   1.381   1.381
  123   1HD1  LEU  16          2HD1      LEU  16  -3.725   1.417   1.417
  124   2HD1  LEU  16          1HD1      LEU  16  -2.725   2.843   2.843
  125   3HD1  LEU  16          3HD1      LEU  16  -1.989   1.316   1.316
  126   1HD2  LEU  16          2HD2      LEU  16  -1.803   3.255   3.255
  127   2HD2  LEU  16          1HD2      LEU  16  -0.869   2.422   2.422
  128   3HD2  LEU  16          3HD2      LEU  16  -1.588   3.973   3.973
  129    H    ILE  17           H        ILE  17  -6.125   5.233   5.233
  130    HA   ILE  17           HA       ILE  17  -8.195   5.281   5.281
  131    HB   ILE  17           HB       ILE  17  -9.149   6.892   6.892
  132   1HG1  ILE  17          2HG1      ILE  17  -8.313   6.176   6.176
  133   2HG1  ILE  17          1HG1      ILE  17  -7.043   5.223   5.223
  134   1HG2  ILE  17          3HG2      ILE  17 -10.007   4.635   4.635
  135   2HG2  ILE  17          2HG2      ILE  17  -8.763   3.886   3.886
  136   3HG2  ILE  17          1HG2      ILE  17 -10.024   4.852   4.852
  137   1HD1  ILE  17          3HD1      ILE  17  -7.277   8.139   8.139
  138   2HD1  ILE  17          2HD1      ILE  17  -6.645   7.714   7.714
  139   3HD1  ILE  17          1HD1      ILE  17  -5.827   7.153   7.153
  140    H    SER  18           H        SER  18  -5.810   7.590   7.590
  141    HA   SER  18           HA       SER  18  -7.208   9.705   9.705
  142   1HB   SER  18          2HB       SER  18  -4.693   9.840   9.840
  143   2HB   SER  18          1HB       SER  18  -5.514  11.228  11.228
  144    HG   SER  18           HG       SER  18  -6.170   9.989   9.989
  145    H    TRP  19           H        TRP  19  -5.398   7.241   7.241
  146    HA   TRP  19           HA       TRP  19  -3.601   8.499   8.499
  147   1HB   TRP  19          2HB       TRP  19  -3.092   6.481   6.481
  148   2HB   TRP  19          1HB       TRP  19  -3.494   5.500   5.500
  149    HD1  TRP  19           HD1      TRP  19  -0.584   6.473   6.473
  150    HE1  TRP  19           HE1      TRP  19   1.497   6.662   6.662
  151    HE3  TRP  19           HE3      TRP  19  -2.850   6.783   6.783
  152    HZ2  TRP  19           HZ2      TRP  19   2.081   6.927   6.927
  153    HZ3  TRP  19           HZ3      TRP  19  -1.409   7.024   7.024
  154    HH2  TRP  19           HH2      TRP  19   1.037   7.093   7.093
  155    H    ILE  20           H        ILE  20  -5.712   5.619   5.619
  156    HA   ILE  20           HA       ILE  20  -6.126   5.847   5.847
  157    HB   ILE  20           HB       ILE  20  -6.163   3.744   3.744
  158   1HG1  ILE  20          2HG1      ILE  20  -4.770   3.869   3.869
  159   2HG1  ILE  20          1HG1      ILE  20  -5.567   2.341   2.341
  160   1HG2  ILE  20          1HG2      ILE  20  -8.566   3.879   3.879
  161   2HG2  ILE  20          3HG2      ILE  20  -7.984   2.391   2.391
  162   3HG2  ILE  20          2HG2      ILE  20  -8.546   3.712   3.712
  163   1HD1  ILE  20          2HD1      ILE  20  -6.904   4.447   4.447
  164   2HD1  ILE  20          1HD1      ILE  20  -5.701   3.335   3.335
  165   3HD1  ILE  20          3HD1      ILE  20  -7.182   2.716   2.716
  166    H    LYS  21           H        LYS  21  -8.091   5.792   5.792
  167    HA   LYS  21           HA       LYS  21 -10.547   6.389   6.389
  168   1HB   LYS  21          2HB       LYS  21  -9.635   6.004   6.004
  169   2HB   LYS  21          1HB       LYS  21 -10.649   7.416   7.416
  170   1HG   LYS  21          2HG       LYS  21 -11.574   4.936   4.936
  171   2HG   LYS  21          1HG       LYS  21 -11.569   4.854   4.854
  172   1HD   LYS  21          2HD       LYS  21 -12.920   7.088   7.088
  173   2HD   LYS  21          1HD       LYS  21 -13.768   5.662   5.662
  174   1HE   LYS  21          2HE       LYS  21 -12.288   6.865   6.865
  175   2HE   LYS  21          1HE       LYS  21 -13.226   8.103   8.103
  176   1HZ   LYS  21          2HZ       LYS  21 -14.883   5.842   5.842
  177   2HZ   LYS  21          1HZ       LYS  21 -14.137   6.112   6.112
  178   3HZ   LYS  21          3HZ       LYS  21 -15.039   7.340   7.340
  179    H    ARG  22           H        ARG  22  -7.847   8.335   8.335
  180    HA   ARG  22           HA       ARG  22  -9.430  10.853  10.853
  181   1HB   ARG  22          2HB       ARG  22  -7.398  10.706  10.706
  182   2HB   ARG  22          1HB       ARG  22  -6.456  10.192  10.192
  183   1HG   ARG  22          2HG       ARG  22  -6.787  12.428  12.428
  184   2HG   ARG  22          1HG       ARG  22  -7.831  12.933  12.933
  185   1HD   ARG  22          2HD       ARG  22  -5.941  12.678  12.678
  186   2HD   ARG  22          1HD       ARG  22  -4.910  12.090  12.090
  187    HE   ARG  22           HE       ARG  22  -6.028  14.886  14.886
  188   1HH1  ARG  22          2HH1      ARG  22  -4.859  14.680  14.680
  189   2HH1  ARG  22          1HH1      ARG  22  -3.157  14.831  14.831
  190   1HH2  ARG  22          1HH2      ARG  22  -3.400  14.167  14.167
  191   2HH2  ARG  22          2HH2      ARG  22  -2.250  14.585  14.585
  192    H    LYS  23           H        LYS  23  -7.840   8.629   8.629
  193    HA   LYS  23           HA       LYS  23  -7.863  10.493  10.493
  194   1HB   LYS  23          2HB       LYS  23  -7.004   7.578   7.578
  195   2HB   LYS  23          1HB       LYS  23  -6.934   8.419   8.419
  196   1HG   LYS  23          2HG       LYS  23  -5.389  10.072  10.072
  197   2HG   LYS  23          1HG       LYS  23  -5.625   9.623   9.623
  198   1HD   LYS  23          2HD       LYS  23  -3.560   8.719   8.719
  199   2HD   LYS  23          1HD       LYS  23  -3.708   8.542   8.542
  200   1HE   LYS  23          2HE       LYS  23  -3.611   6.294   6.294
  201   2HE   LYS  23          1HE       LYS  23  -5.333   6.511   6.511
  202   1HZ   LYS  23          2HZ       LYS  23  -4.354   7.225   7.225
  203   2HZ   LYS  23          1HZ       LYS  23  -3.642   5.741   5.741
  204   3HZ   LYS  23          3HZ       LYS  23  -5.319   5.896   5.896
  205    H    ARG  24           H        ARG  24  -9.181   7.256   7.256
  206    HA   ARG  24           HA       ARG  24 -11.064   7.111   7.111
  207   1HB   ARG  24          2HB       ARG  24 -10.896   5.923   5.923
  208   2HB   ARG  24          1HB       ARG  24 -12.343   5.622   5.622
  209   1HG   ARG  24          2HG       ARG  24  -9.539   5.093   5.093
  210   2HG   ARG  24          1HG       ARG  24 -10.449   3.871   3.871
  211   1HD   ARG  24          2HD       ARG  24 -11.141   5.166   5.166
  212   2HD   ARG  24          1HD       ARG  24 -10.821   3.478   3.478
  213    HE   ARG  24           HE       ARG  24 -13.010   3.588   3.588
  214   1HH1  ARG  24          1HH2      ARG  24 -13.797   6.251   6.251
  215   2HH1  ARG  24          2HH2      ARG  24 -14.796   6.293   6.293
  216   1HH2  ARG  24          2HH1      ARG  24 -13.448   3.124   3.124
  217   2HH2  ARG  24          1HH1      ARG  24 -14.565   4.341   4.341
  218    H    GLN  25           H        GLN  25 -11.215   9.586   9.586
  219    HA   GLN  25           HA       GLN  25 -14.158   9.645   9.645
  220   1HB   GLN  25          2HB       GLN  25 -11.833  11.132  11.132
  221   2HB   GLN  25          1HB       GLN  25 -13.175  12.164  12.164
  222   1HG   GLN  25          2HG       GLN  25 -14.579  10.254  10.254
  223   2HG   GLN  25          1HG       GLN  25 -13.029   9.967   9.967
  224   1HE2  GLN  25          2HE2      GLN  25 -14.717  12.548  12.548
  225   2HE2  GLN  25          1HE2      GLN  25 -14.974  10.901  10.901
  226    H    GLN  26           H        GLN  26 -11.586  10.768  10.768
  227    HA   GLN  26           HA       GLN  26 -13.410  12.267  12.267
  228   1HB   GLN  26          2HB       GLN  26 -11.244  13.734  13.734
  229   2HB   GLN  26          1HB       GLN  26 -12.152  14.017  14.017
  230   1HG   GLN  26          2HG       GLN  26 -10.332  13.656  13.656
  231   2HG   GLN  26          1HG       GLN  26 -10.225  12.012  12.012
  232   1HE2  GLN  26          2HE2      GLN  26  -7.437  14.511  14.511
  233   2HE2  GLN  26          1HE2      GLN  26  -8.539  14.983  14.983
  234   1HN   NH2  27          1HT       GLN  26 -10.196  12.218  12.218
  235   2HN   NH2  27          2HT       GLN  26 -10.361  10.825  10.825

  Start of MODEL    5
    1   1H    GLY   1          3H        GLY   1   4.598  -3.136  -3.136
    2   2H    GLY   1          2H        GLY   1   5.606  -2.472  -2.472
    3   3H    GLY   1          1H        GLY   1   5.631  -4.149  -4.149
    4   1HA   GLY   1          2HA       GLY   1   3.964  -4.467  -4.467
    5   2HA   GLY   1          1HA       GLY   1   3.962  -2.718  -2.718
    6    H    ILE   2           H        ILE   2   1.424  -3.736  -3.736
    7    HA   ILE   2           HA       ILE   2   0.402  -3.309  -3.309
    8    HB   ILE   2           HB       ILE   2  -1.726  -4.444  -4.444
    9   1HG1  ILE   2          2HG1      ILE   2  -1.198  -6.097  -6.097
   10   2HG1  ILE   2          1HG1      ILE   2   0.310  -5.296  -5.296
   11   1HG2  ILE   2          3HG2      ILE   2   0.876  -5.970  -5.970
   12   2HG2  ILE   2          2HG2      ILE   2  -0.708  -6.716  -6.716
   13   3HG2  ILE   2          1HG2      ILE   2  -0.319  -5.558  -5.558
   14   1HD1  ILE   2          3HD1      ILE   2  -2.105  -3.508  -3.508
   15   2HD1  ILE   2          2HD1      ILE   2  -2.102  -4.765  -4.765
   16   3HD1  ILE   2          1HD1      ILE   2  -0.793  -3.612  -3.612
   17    H    GLY   3           H        GLY   3   0.179  -2.139  -2.139
   18   1HA   GLY   3          2HA       GLY   3  -1.865  -0.757  -0.757
   19   2HA   GLY   3          1HA       GLY   3  -0.376   0.138   0.138
   20    H    ALA   4           H        ALA   4  -0.114   0.631   0.631
   21    HA   ALA   4           HA       ALA   4  -2.424   2.413   2.413
   22   1HB   ALA   4          3HB       ALA   4  -0.179   3.487   3.487
   23   2HB   ALA   4          2HB       ALA   4   0.405   2.423   2.423
   24   3HB   ALA   4          1HB       ALA   4  -0.841   3.607   3.607
   25    H    VAL   5           H        VAL   5  -0.555  -0.228  -0.228
   26    HA   VAL   5           HA       VAL   5  -1.342  -0.138  -0.138
   27    HB   VAL   5           HB       VAL   5  -1.103  -2.726  -2.726
   28   1HG1  VAL   5          1HG1      VAL   5  -1.712  -2.570  -2.570
   29   2HG1  VAL   5          3HG1      VAL   5   0.001  -2.238  -2.238
   30   3HG1  VAL   5          2HG1      VAL   5  -0.521  -3.742  -3.742
   31   1HG2  VAL   5          2HG2      VAL   5   1.143  -0.893  -0.893
   32   2HG2  VAL   5          1HG2      VAL   5   0.884  -1.398  -1.398
   33   3HG2  VAL   5          3HG2      VAL   5   1.404  -2.561  -2.561
   34    H    LEU   6           H        LEU   6  -2.885  -1.458  -1.458
   35    HA   LEU   6           HA       LEU   6  -5.193  -2.576  -2.576
   36   1HB   LEU   6          2HB       LEU   6  -5.111  -1.380  -1.380
   37   2HB   LEU   6          1HB       LEU   6  -6.264  -2.547  -2.547
   38    HG   LEU   6           HG       LEU   6  -3.279  -3.012  -3.012
   39   1HD1  LEU   6          1HD1      LEU   6  -5.760  -4.185  -4.185
   40   2HD1  LEU   6          3HD1      LEU   6  -4.117  -4.694  -4.694
   41   3HD1  LEU   6          2HD1      LEU   6  -4.626  -3.062  -3.062
   42   1HD2  LEU   6          2HD2      LEU   6  -5.402  -4.800  -4.800
   43   2HD2  LEU   6          1HD2      LEU   6  -3.845  -4.341  -4.341
   44   3HD2  LEU   6          3HD2      LEU   6  -3.925  -5.454  -5.454
   45    H    LYS   7           H        LYS   7  -4.322   0.632   0.632
   46    HA   LYS   7           HA       LYS   7  -7.079   1.694   1.694
   47   1HB   LYS   7          2HB       LYS   7  -4.497   3.152   3.152
   48   2HB   LYS   7          1HB       LYS   7  -6.104   3.855   3.855
   49   1HG   LYS   7          2HG       LYS   7  -6.837   2.202   2.202
   50   2HG   LYS   7          1HG       LYS   7  -5.179   1.636   1.636
   51   1HD   LYS   7          2HD       LYS   7  -4.451   3.957   3.957
   52   2HD   LYS   7          1HD       LYS   7  -6.092   4.524   4.524
   53   1HE   LYS   7          2HE       LYS   7  -5.586   4.082   4.082
   54   2HE   LYS   7          1HE       LYS   7  -6.895   3.066   3.066
   55   1HZ   LYS   7          3HZ       LYS   7  -4.442   1.750   1.750
   56   2HZ   LYS   7          2HZ       LYS   7  -4.445   2.251   2.251
   57   3HZ   LYS   7          1HZ       LYS   7  -5.694   1.266   1.266
   58    H    VAL   8           H        VAL   8  -4.496   0.782   0.782
   59    HA   VAL   8           HA       VAL   8  -4.697   2.912   2.912
   60    HB   VAL   8           HB       VAL   8  -2.991   0.397   0.397
   61   1HG1  VAL   8          1HG1      VAL   8  -3.393   0.818   0.818
   62   2HG1  VAL   8          3HG1      VAL   8  -2.525   2.341   2.341
   63   3HG1  VAL   8          2HG1      VAL   8  -1.728   0.815   0.815
   64   1HG2  VAL   8          2HG2      VAL   8  -2.612   2.610   2.610
   65   2HG2  VAL   8          1HG2      VAL   8  -1.216   1.866   1.866
   66   3HG2  VAL   8          3HG2      VAL   8  -1.984   3.256   3.256
   67    H    LEU   9           H        LEU   9  -5.082  -0.601  -0.601
   68    HA   LEU   9           HA       LEU   9  -6.498  -0.761  -0.761
   69   1HB   LEU   9          2HB       LEU   9  -6.863  -3.133  -3.133
   70   2HB   LEU   9          1HB       LEU   9  -5.246  -2.584  -2.584
   71    HG   LEU   9           HG       LEU   9  -4.763  -2.351  -2.351
   72   1HD1  LEU   9          1HD1      LEU   9  -7.707  -3.123  -3.123
   73   2HD1  LEU   9          3HD1      LEU   9  -6.610  -3.424  -3.424
   74   3HD1  LEU   9          2HD1      LEU   9  -6.888  -1.787  -1.787
   75   1HD2  LEU   9          2HD2      LEU   9  -5.961  -4.950  -4.950
   76   2HD2  LEU   9          1HD2      LEU   9  -4.301  -4.398  -4.398
   77   3HD2  LEU   9          3HD2      LEU   9  -4.920  -4.800  -4.800
   78    H    THR  10           H        THR  10  -7.611   0.711   0.711
   79    HA   THR  10           HA       THR  10 -10.289  -0.558  -0.558
   80    HB   THR  10           HB       THR  10 -10.095   1.663   1.663
   81    HG1  THR  10           HG1      THR  10  -7.958   0.013   0.013
   82   1HG2  THR  10          2HG2      THR  10  -9.729  -1.374  -1.374
   83   2HG2  THR  10          1HG2      THR  10  -9.760  -0.259  -0.259
   84   3HG2  THR  10          3HG2      THR  10 -11.173  -0.444  -0.444
   85    H    THR  11           H        THR  11  -8.450   2.110   2.110
   86    HA   THR  11           HA       THR  11 -10.889   3.551   3.551
   87    HB   THR  11           HB       THR  11  -9.536   4.848   4.848
   88    HG1  THR  11           HG1      THR  11  -9.791   5.385   5.385
   89   1HG2  THR  11          1HG2      THR  11  -7.186   3.995   3.995
   90   2HG2  THR  11          3HG2      THR  11  -7.126   5.451   5.451
   91   3HG2  THR  11          2HG2      THR  11  -7.348   3.898   3.898
   92    H    GLY  12           H        GLY  12  -7.892   2.099   2.099
   93   1HA   GLY  12          2HA       GLY  12  -8.486   1.265   1.265
   94   2HA   GLY  12          1HA       GLY  12  -7.931   2.914   2.914
   95    H    LEU  13           H        LEU  13  -5.900   3.325   3.325
   96    HA   LEU  13           HA       LEU  13  -3.810   1.698   1.698
   97   1HB   LEU  13          2HB       LEU  13  -4.544   1.410   1.410
   98   2HB   LEU  13          1HB       LEU  13  -2.834   1.679   1.679
   99    HG   LEU  13           HG       LEU  13  -4.057  -0.335  -0.335
  100   1HD1  LEU  13          3HD1      LEU  13  -4.032  -0.765  -0.765
  101   2HD1  LEU  13          2HD1      LEU  13  -3.976  -2.092  -2.092
  102   3HD1  LEU  13          1HD1      LEU  13  -5.355  -1.012  -1.012
  103   1HD2  LEU  13          1HD2      LEU  13  -1.541   0.302   0.302
  104   2HD2  LEU  13          3HD2      LEU  13  -1.975  -1.381  -1.381
  105   3HD2  LEU  13          2HD2      LEU  13  -1.675  -0.731  -0.731
  106    HA   PRO  14           HA       DPR  14  -1.872   5.507   5.507
  107   1HB   PRO  14          2HB       DPR  14  -2.624   6.681   6.681
  108   2HB   PRO  14          1HB       DPR  14  -4.248   6.891   6.891
  109   1HG   PRO  14          2HG       DPR  14  -3.131   4.460   4.460
  110   2HG   PRO  14          1HG       DPR  14  -4.715   5.206   5.206
  111   1HD   PRO  14          2HD       DPR  14  -4.452   3.015   3.015
  112   2HD   PRO  14          1HD       DPR  14  -5.502   4.331   4.331
  113    H    ALA  15           H        ALA  15  -1.808   5.900   5.900
  114    HA   ALA  15           HA       ALA  15  -3.386   8.307   8.307
  115   1HB   ALA  15          1HB       ALA  15  -0.877   8.425   8.425
  116   2HB   ALA  15          3HB       ALA  15  -0.878   7.217   7.217
  117   3HB   ALA  15          2HB       ALA  15  -1.624   8.786   8.786
  118    H    LEU  16           H        LEU  16  -3.182   4.957   4.957
  119    HA   LEU  16           HA       LEU  16  -3.692   4.846   4.846
  120   1HB   LEU  16          2HB       LEU  16  -4.553   3.231   3.231
  121   2HB   LEU  16          1HB       LEU  16  -5.319   2.870   2.870
  122    HG   LEU  16           HG       LEU  16  -3.213   1.571   1.571
  123   1HD1  LEU  16          1HD1      LEU  16  -4.212   2.262   2.262
  124   2HD1  LEU  16          3HD1      LEU  16  -2.650   3.054   3.054
  125   3HD1  LEU  16          2HD1      LEU  16  -2.737   1.328   1.328
  126   1HD2  LEU  16          3HD2      LEU  16  -1.825   3.366   3.366
  127   2HD2  LEU  16          2HD2      LEU  16  -1.022   2.574   2.574
  128   3HD2  LEU  16          1HD2      LEU  16  -1.738   4.152   4.152
  129    H    ILE  17           H        ILE  17  -6.092   5.519   5.519
  130    HA   ILE  17           HA       ILE  17  -8.370   5.521   5.521
  131    HB   ILE  17           HB       ILE  17  -8.963   7.363   7.363
  132   1HG1  ILE  17          2HG1      ILE  17  -8.120   6.328   6.328
  133   2HG1  ILE  17          1HG1      ILE  17  -7.080   5.264   5.264
  134   1HG2  ILE  17          3HG2      ILE  17 -10.309   5.403   5.403
  135   2HG2  ILE  17          2HG2      ILE  17  -9.157   4.341   4.341
  136   3HG2  ILE  17          1HG2      ILE  17 -10.110   5.479   5.479
  137   1HD1  ILE  17          3HD1      ILE  17  -6.748   8.149   8.149
  138   2HD1  ILE  17          2HD1      ILE  17  -6.427   7.781   7.781
  139   3HD1  ILE  17          1HD1      ILE  17  -5.537   6.952   6.952
  140    H    SER  18           H        SER  18  -5.859   7.737   7.737
  141    HA   SER  18           HA       SER  18  -7.245   9.927   9.927
  142   1HB   SER  18          2HB       SER  18  -4.646   9.872   9.872
  143   2HB   SER  18          1HB       SER  18  -5.365  11.324  11.324
  144    HG   SER  18           HG       SER  18  -7.269   9.898   9.898
  145    H    TRP  19           H        TRP  19  -5.547   7.314   7.314
  146    HA   TRP  19           HA       TRP  19  -3.905   8.406   8.406
  147   1HB   TRP  19          2HB       TRP  19  -3.187   6.623   6.623
  148   2HB   TRP  19          1HB       TRP  19  -3.765   5.458   5.458
  149    HD1  TRP  19           HD1      TRP  19  -0.632   6.559   6.559
  150    HE1  TRP  19           HE1      TRP  19   1.237   6.486   6.486
  151    HE3  TRP  19           HE3      TRP  19  -3.462   6.334   6.334
  152    HZ2  TRP  19           HZ2      TRP  19   1.484   6.364   6.364
  153    HZ3  TRP  19           HZ3      TRP  19  -2.285   6.231   6.231
  154    HH2  TRP  19           HH2      TRP  19   0.182   6.249   6.249
  155    H    ILE  20           H        ILE  20  -5.729   5.351   5.351
  156    HA   ILE  20           HA       ILE  20  -6.365   5.502   5.502
  157    HB   ILE  20           HB       ILE  20  -6.147   3.382   3.382
  158   1HG1  ILE  20          2HG1      ILE  20  -6.300   1.964   1.964
  159   2HG1  ILE  20          1HG1      ILE  20  -6.464   3.471   3.471
  160   1HG2  ILE  20          3HG2      ILE  20  -8.604   3.559   3.559
  161   2HG2  ILE  20          2HG2      ILE  20  -8.697   3.359   3.359
  162   3HG2  ILE  20          1HG2      ILE  20  -8.102   2.039   2.039
  163   1HD1  ILE  20          2HD1      ILE  20  -4.270   4.235   4.235
  164   2HD1  ILE  20          1HD1      ILE  20  -4.149   2.706   2.706
  165   3HD1  ILE  20          3HD1      ILE  20  -4.085   2.741   2.741
  166    H    LYS  21           H        LYS  21  -8.126   6.043   6.043
  167    HA   LYS  21           HA       LYS  21 -10.656   6.051   6.051
  168   1HB   LYS  21          2HB       LYS  21  -9.887   6.710   6.710
  169   2HB   LYS  21          1HB       LYS  21 -11.454   7.172   7.172
  170   1HG   LYS  21          2HG       LYS  21 -11.434   4.575   4.575
  171   2HG   LYS  21          1HG       LYS  21 -10.251   4.423   4.423
  172   1HD   LYS  21          2HD       LYS  21 -12.249   3.981   3.981
  173   2HD   LYS  21          1HD       LYS  21 -12.008   5.685   5.685
  174   1HE   LYS  21          2HE       LYS  21 -13.508   6.158   6.158
  175   2HE   LYS  21          1HE       LYS  21 -13.887   4.443   4.443
  176   1HZ   LYS  21          3HZ       LYS  21 -14.253   5.431   5.431
  177   2HZ   LYS  21          2HZ       LYS  21 -15.063   6.455   6.455
  178   3HZ   LYS  21          1HZ       LYS  21 -15.417   4.805   4.805
  179    H    ARG  22           H        ARG  22  -8.166   8.273   8.273
  180    HA   ARG  22           HA       ARG  22  -9.730  10.665  10.665
  181   1HB   ARG  22          2HB       ARG  22  -7.616  10.555  10.555
  182   2HB   ARG  22          1HB       ARG  22  -6.684  10.258  10.258
  183   1HG   ARG  22          2HG       ARG  22  -6.534  12.514  12.514
  184   2HG   ARG  22          1HG       ARG  22  -8.254  12.589  12.589
  185   1HD   ARG  22          2HD       ARG  22  -8.289  14.021  14.021
  186   2HD   ARG  22          1HD       ARG  22  -8.196  12.566  12.566
  187    HE   ARG  22           HE       ARG  22  -5.651  12.851  12.851
  188   1HH1  ARG  22          2HH1      ARG  22  -5.890  15.208  15.208
  189   2HH1  ARG  22          1HH1      ARG  22  -5.630  16.562  16.562
  190   1HH2  ARG  22          1HH2      ARG  22  -6.262  14.484  14.484
  191   2HH2  ARG  22          2HH2      ARG  22  -5.852  16.102  16.102
  192    H    LYS  23           H        LYS  23  -7.791   8.382   8.382
  193    HA   LYS  23           HA       LYS  23  -7.951  10.032  10.032
  194   1HB   LYS  23          2HB       LYS  23  -6.197   8.764   8.764
  195   2HB   LYS  23          1HB       LYS  23  -5.981   8.322   8.322
  196   1HG   LYS  23          2HG       LYS  23  -7.465   6.287   6.287
  197   2HG   LYS  23          1HG       LYS  23  -7.487   6.720   6.720
  198   1HD   LYS  23          2HD       LYS  23  -4.732   6.702   6.702
  199   2HD   LYS  23          1HD       LYS  23  -5.332   5.454   5.454
  200   1HE   LYS  23          2HE       LYS  23  -4.957   4.241   4.241
  201   2HE   LYS  23          1HE       LYS  23  -6.679   4.556   4.556
  202   1HZ   LYS  23          3HZ       LYS  23  -5.290   6.748   6.748
  203   2HZ   LYS  23          2HZ       LYS  23  -4.755   5.320   5.320
  204   3HZ   LYS  23          1HZ       LYS  23  -6.416   5.726   5.726
  205    H    ARG  24           H        ARG  24  -9.450   7.114   7.114
  206    HA   ARG  24           HA       ARG  24 -10.767   6.248   6.248
  207   1HB   ARG  24          2HB       ARG  24 -11.354   5.960   5.960
  208   2HB   ARG  24          1HB       ARG  24 -12.538   5.404   5.404
  209   1HG   ARG  24          2HG       ARG  24  -9.629   4.563   4.563
  210   2HG   ARG  24          1HG       ARG  24 -10.588   3.772   3.772
  211   1HD   ARG  24          2HD       ARG  24 -10.879   3.665   3.665
  212   2HD   ARG  24          1HD       ARG  24 -10.890   2.336   2.336
  213    HE   ARG  24           HE       ARG  24 -13.187   4.221   4.221
  214   1HH1  ARG  24          1HH2      ARG  24 -12.931   2.904   2.904
  215   2HH1  ARG  24          2HH2      ARG  24 -13.894   1.465   1.465
  216   1HH2  ARG  24          2HH1      ARG  24 -13.881   1.840   1.840
  217   2HH2  ARG  24          1HH1      ARG  24 -14.512   0.824   0.824
  218    H    GLN  25           H        GLN  25 -11.226   9.133   9.133
  219    HA   GLN  25           HA       GLN  25 -14.076   9.350   9.350
  220   1HB   GLN  25          2HB       GLN  25 -12.351  10.867  10.867
  221   2HB   GLN  25          1HB       GLN  25 -13.626  11.753  11.753
  222   1HG   GLN  25          2HG       GLN  25 -15.149   9.655   9.655
  223   2HG   GLN  25          1HG       GLN  25 -13.891   9.454   9.454
  224   1HE2  GLN  25          2HE2      GLN  25 -14.747  12.708  12.708
  225   2HE2  GLN  25          1HE2      GLN  25 -13.332  11.894  11.894
  226    H    GLN  26           H        GLN  26 -10.953   9.964   9.964
  227    HA   GLN  26           HA       GLN  26 -11.897  12.005  12.005
  228   1HB   GLN  26          2HB       GLN  26 -10.161  12.846  12.846
  229   2HB   GLN  26          1HB       GLN  26  -9.068  11.587  11.587
  230   1HG   GLN  26          2HG       GLN  26  -8.816  12.568  12.568
  231   2HG   GLN  26          1HG       GLN  26 -10.288  13.520  13.520
  232   1HE2  GLN  26          2HE2      GLN  26  -7.231  15.646  15.646
  233   2HE2  GLN  26          1HE2      GLN  26  -7.573  14.551  14.551
  234   1HN   NH2  27          1HT       GLN  26 -12.402  10.559  10.559
  235   2HN   NH2  27          2HT       GLN  26 -11.265   9.468   9.468

  Start of MODEL    6
    1   1H    GLY   1          3H        GLY   1   5.450  -3.113  -3.113
    2   2H    GLY   1          2H        GLY   1   6.487  -2.295  -2.295
    3   3H    GLY   1          1H        GLY   1   6.546  -3.994  -3.994
    4   1HA   GLY   1          2HA       GLY   1   4.947  -4.174  -4.174
    5   2HA   GLY   1          1HA       GLY   1   4.913  -2.399  -2.399
    6    H    ILE   2           H        ILE   2   2.457  -3.576  -3.576
    7    HA   ILE   2           HA       ILE   2   1.243  -3.339  -3.339
    8    HB   ILE   2           HB       ILE   2  -0.701  -4.616  -4.616
    9   1HG1  ILE   2          2HG1      ILE   2   1.514  -5.575  -5.575
   10   2HG1  ILE   2          1HG1      ILE   2   0.433  -4.286  -4.286
   11   1HG2  ILE   2          3HG2      ILE   2   2.008  -5.826  -5.826
   12   2HG2  ILE   2          2HG2      ILE   2   0.597  -6.817  -6.817
   13   3HG2  ILE   2          1HG2      ILE   2   0.590  -5.687  -5.687
   14   1HD1  ILE   2          1HD1      ILE   2  -0.776  -6.841  -6.841
   15   2HD1  ILE   2          3HD1      ILE   2  -0.173  -6.786  -6.786
   16   3HD1  ILE   2          2HD1      ILE   2  -1.442  -5.687  -5.687
   17    H    GLY   3           H        GLY   3   1.086  -2.152  -2.152
   18   1HA   GLY   3          2HA       GLY   3  -0.927  -0.923  -0.923
   19   2HA   GLY   3          1HA       GLY   3   0.380   0.149   0.149
   20    H    ALA   4           H        ALA   4   0.261   0.897   0.897
   21    HA   ALA   4           HA       ALA   4  -2.522   1.848   1.848
   22   1HB   ALA   4          3HB       ALA   4   0.150   2.910   2.910
   23   2HB   ALA   4          2HB       ALA   4  -1.417   3.613   3.613
   24   3HB   ALA   4          1HB       ALA   4  -0.801   3.613   3.613
   25    H    VAL   5           H        VAL   5  -0.055  -0.113  -0.113
   26    HA   VAL   5           HA       VAL   5  -0.598  -0.129  -0.129
   27    HB   VAL   5           HB       VAL   5   0.121  -2.638  -2.638
   28   1HG1  VAL   5          3HG1      VAL   5  -0.159  -2.518  -2.518
   29   2HG1  VAL   5          2HG1      VAL   5   1.396  -1.704  -1.704
   30   3HG1  VAL   5          1HG1      VAL   5   1.245  -3.332  -3.332
   31   1HG2  VAL   5          1HG2      VAL   5   1.850  -0.167  -0.167
   32   2HG2  VAL   5          3HG2      VAL   5   1.665  -1.076  -1.076
   33   3HG2  VAL   5          2HG2      VAL   5   2.583  -1.751  -1.751
   34    H    LEU   6           H        LEU   6  -2.278  -1.565  -1.565
   35    HA   LEU   6           HA       LEU   6  -4.055  -3.125  -3.125
   36   1HB   LEU   6          2HB       LEU   6  -4.187  -2.743  -2.743
   37   2HB   LEU   6          1HB       LEU   6  -5.170  -3.853  -3.853
   38    HG   LEU   6           HG       LEU   6  -2.121  -3.951  -3.951
   39   1HD1  LEU   6          1HD1      LEU   6  -4.279  -5.587  -5.587
   40   2HD1  LEU   6          3HD1      LEU   6  -2.586  -6.028  -6.028
   41   3HD1  LEU   6          2HD1      LEU   6  -3.091  -4.541  -4.541
   42   1HD2  LEU   6          1HD2      LEU   6  -4.213  -5.716  -5.716
   43   2HD2  LEU   6          3HD2      LEU   6  -2.775  -5.013  -5.013
   44   3HD2  LEU   6          2HD2      LEU   6  -2.629  -6.341  -6.341
   45    H    LYS   7           H        LYS   7  -3.912  -0.026  -0.026
   46    HA   LYS   7           HA       LYS   7  -6.856   0.384   0.384
   47   1HB   LYS   7          2HB       LYS   7  -4.545   2.368   2.368
   48   2HB   LYS   7          1HB       LYS   7  -6.246   2.752   2.752
   49   1HG   LYS   7          2HG       LYS   7  -6.426   1.030   1.030
   50   2HG   LYS   7          1HG       LYS   7  -4.721   0.671   0.671
   51   1HD   LYS   7          2HD       LYS   7  -4.219   3.123   3.123
   52   2HD   LYS   7          1HD       LYS   7  -5.907   3.360   3.360
   53   1HE   LYS   7          2HE       LYS   7  -4.399   1.109   1.109
   54   2HE   LYS   7          1HE       LYS   7  -4.104   2.749   2.749
   55   1HZ   LYS   7          1HZ       LYS   7  -6.892   2.361   2.361
   56   2HZ   LYS   7          3HZ       LYS   7  -6.240   1.077   1.077
   57   3HZ   LYS   7          2HZ       LYS   7  -6.001   2.675   2.675
   58    H    VAL   8           H        VAL   8  -3.943   1.070   1.070
   59    HA   VAL   8           HA       VAL   8  -4.803   2.801   2.801
   60    HB   VAL   8           HB       VAL   8  -2.871   0.410   0.410
   61   1HG1  VAL   8          3HG1      VAL   8  -3.415   1.099   1.099
   62   2HG1  VAL   8          2HG1      VAL   8  -2.754   2.691   2.691
   63   3HG1  VAL   8          1HG1      VAL   8  -1.727   1.270   1.270
   64   1HG2  VAL   8          1HG2      VAL   8  -2.634   2.714   2.714
   65   2HG2  VAL   8          3HG2      VAL   8  -1.266   1.784   1.784
   66   3HG2  VAL   8          2HG2      VAL   8  -1.779   3.201   3.201
   67    H    LEU   9           H        LEU   9  -5.318  -0.598  -0.598
   68    HA   LEU   9           HA       LEU   9  -6.721  -0.813  -0.813
   69   1HB   LEU   9          2HB       LEU   9  -6.715  -3.109  -3.109
   70   2HB   LEU   9          1HB       LEU   9  -6.440  -3.101  -3.101
   71    HG   LEU   9           HG       LEU   9  -4.399  -2.119  -2.119
   72   1HD1  LEU   9          3HD1      LEU   9  -4.623  -4.758  -4.758
   73   2HD1  LEU   9          2HD1      LEU   9  -3.211  -4.211  -4.211
   74   3HD1  LEU   9          1HD1      LEU   9  -4.734  -4.464  -4.464
   75   1HD2  LEU   9          2HD2      LEU   9  -4.185  -1.109  -1.109
   76   2HD2  LEU   9          1HD2      LEU   9  -2.830  -2.136  -2.136
   77   3HD2  LEU   9          3HD2      LEU   9  -4.080  -2.737  -2.737
   78    H    THR  10           H        THR  10  -7.824   0.616   0.616
   79    HA   THR  10           HA       THR  10 -10.430  -0.878  -0.878
   80    HB   THR  10           HB       THR  10  -9.822   1.390   1.390
   81    HG1  THR  10           HG1      THR  10  -8.281  -0.843  -0.843
   82   1HG2  THR  10          3HG2      THR  10 -10.991  -1.433  -1.433
   83   2HG2  THR  10          2HG2      THR  10 -10.913  -0.199  -0.199
   84   3HG2  THR  10          1HG2      THR  10 -11.951   0.031   0.031
   85    H    THR  11           H        THR  11  -8.938   1.893   1.893
   86    HA   THR  11           HA       THR  11 -11.649   3.065   3.065
   87    HB   THR  11           HB       THR  11  -9.266   4.954   4.954
   88    HG1  THR  11           HG1      THR  11 -10.006   3.398   3.398
   89   1HG2  THR  11          1HG2      THR  11 -11.957   5.001   5.001
   90   2HG2  THR  11          3HG2      THR  11 -10.829   6.341   6.341
   91   3HG2  THR  11          2HG2      THR  11 -11.671   5.779   5.779
   92    H    GLY  12           H        GLY  12  -8.323   3.276   3.276
   93   1HA   GLY  12          2HA       GLY  12  -9.313   2.491   2.491
   94   2HA   GLY  12          1HA       GLY  12  -8.477   4.036   4.036
   95    H    LEU  13           H        LEU  13  -6.337   4.043   4.043
   96    HA   LEU  13           HA       LEU  13  -4.563   2.025   2.025
   97   1HB   LEU  13          2HB       LEU  13  -5.484   1.826   1.826
   98   2HB   LEU  13          1HB       LEU  13  -3.738   1.968   1.968
   99    HG   LEU  13           HG       LEU  13  -5.056   0.021   0.021
  100   1HD1  LEU  13          2HD1      LEU  13  -4.974  -0.307  -0.307
  101   2HD1  LEU  13          1HD1      LEU  13  -4.848  -1.703  -1.703
  102   3HD1  LEU  13          3HD1      LEU  13  -6.268  -0.680  -0.680
  103   1HD2  LEU  13          3HD2      LEU  13  -2.511   0.546   0.546
  104   2HD2  LEU  13          2HD2      LEU  13  -2.982  -1.141  -1.141
  105   3HD2  LEU  13          1HD2      LEU  13  -2.599  -0.323  -0.323
  106    HA   PRO  14           HA       DPR  14  -2.085   5.580   5.580
  107   1HB   PRO  14          2HB       DPR  14  -2.464   6.728   6.728
  108   2HB   PRO  14          1HB       DPR  14  -4.034   7.319   7.319
  109   1HG   PRO  14          2HG       DPR  14  -3.388   4.749   4.749
  110   2HG   PRO  14          1HG       DPR  14  -4.850   5.722   5.722
  111   1HD   PRO  14          2HD       DPR  14  -4.765   3.390   3.390
  112   2HD   PRO  14          1HD       DPR  14  -5.774   4.756   4.756
  113    H    ALA  15           H        ALA  15  -2.053   6.128   6.128
  114    HA   ALA  15           HA       ALA  15  -3.593   8.579   8.579
  115   1HB   ALA  15          3HB       ALA  15  -1.103   8.645   8.645
  116   2HB   ALA  15          2HB       ALA  15  -1.136   7.420   7.420
  117   3HB   ALA  15          1HB       ALA  15  -1.845   9.001   9.001
  118    H    LEU  16           H        LEU  16  -3.571   5.254   5.254
  119    HA   LEU  16           HA       LEU  16  -4.021   5.059   5.059
  120   1HB   LEU  16          2HB       LEU  16  -5.229   3.762   3.762
  121   2HB   LEU  16          1HB       LEU  16  -6.044   3.463   3.463
  122    HG   LEU  16           HG       LEU  16  -4.192   1.857   1.857
  123   1HD1  LEU  16          3HD1      LEU  16  -4.518   3.181   3.181
  124   2HD1  LEU  16          2HD1      LEU  16  -3.112   2.148   2.148
  125   3HD1  LEU  16          1HD1      LEU  16  -4.714   1.499   1.499
  126   1HD2  LEU  16          3HD2      LEU  16  -2.436   3.362   3.362
  127   2HD2  LEU  16          2HD2      LEU  16  -1.847   2.439   2.439
  128   3HD2  LEU  16          1HD2      LEU  16  -2.294   4.112   4.112
  129    H    ILE  17           H        ILE  17  -6.411   6.316   6.316
  130    HA   ILE  17           HA       ILE  17  -8.622   6.528   6.528
  131    HB   ILE  17           HB       ILE  17  -8.137   8.894   8.894
  132   1HG1  ILE  17          2HG1      ILE  17  -8.867   7.269   7.269
  133   2HG1  ILE  17          1HG1      ILE  17  -8.177   5.999   5.999
  134   1HG2  ILE  17          3HG2      ILE  17 -10.310   8.379   8.379
  135   2HG2  ILE  17          2HG2      ILE  17 -10.439   6.932   6.932
  136   3HG2  ILE  17          1HG2      ILE  17 -10.439   8.522   8.522
  137   1HD1  ILE  17          1HD1      ILE  17  -6.248   8.152   8.152
  138   2HD1  ILE  17          3HD1      ILE  17  -6.825   7.985   7.985
  139   3HD1  ILE  17          2HD1      ILE  17  -6.113   6.614   6.614
  140    H    SER  18           H        SER  18  -5.856   8.678   8.678
  141    HA   SER  18           HA       SER  18  -7.019  10.434  10.434
  142   1HB   SER  18          2HB       SER  18  -4.987  10.807  10.807
  143   2HB   SER  18          1HB       SER  18  -4.549  11.555  11.555
  144    HG   SER  18           HG       SER  18  -6.718  12.046  12.046
  145    H    TRP  19           H        TRP  19  -5.565   7.685   7.685
  146    HA   TRP  19           HA       TRP  19  -3.659   8.107   8.107
  147   1HB   TRP  19          2HB       TRP  19  -3.344   6.638   6.638
  148   2HB   TRP  19          1HB       TRP  19  -3.943   5.371   5.371
  149    HD1  TRP  19           HD1      TRP  19  -0.785   6.413   6.413
  150    HE1  TRP  19           HE1      TRP  19   1.191   5.850   5.850
  151    HE3  TRP  19           HE3      TRP  19  -3.316   5.562   5.562
  152    HZ2  TRP  19           HZ2      TRP  19   1.610   5.161   5.161
  153    HZ3  TRP  19           HZ3      TRP  19  -2.019   4.930   4.930
  154    HH2  TRP  19           HH2      TRP  19   0.438   4.729   4.729
  155    H    ILE  20           H        ILE  20  -5.983   5.552   5.552
  156    HA   ILE  20           HA       ILE  20  -6.533   5.172   5.172
  157    HB   ILE  20           HB       ILE  20  -6.600   3.553   3.553
  158   1HG1  ILE  20          2HG1      ILE  20  -6.804   2.747   2.747
  159   2HG1  ILE  20          1HG1      ILE  20  -5.302   3.103   3.103
  160   1HG2  ILE  20          3HG2      ILE  20  -9.024   3.412   3.412
  161   2HG2  ILE  20          2HG2      ILE  20  -8.587   2.183   2.183
  162   3HG2  ILE  20          1HG2      ILE  20  -9.005   3.801   3.801
  163   1HD1  ILE  20          3HD1      ILE  20  -6.555   1.205   1.205
  164   2HD1  ILE  20          2HD1      ILE  20  -6.855   0.630   0.630
  165   3HD1  ILE  20          1HD1      ILE  20  -5.214   0.922   0.922
  166    H    LYS  21           H        LYS  21  -8.297   6.169   6.169
  167    HA   LYS  21           HA       LYS  21 -10.771   6.440   6.440
  168   1HB   LYS  21          2HB       LYS  21 -10.086   6.613   6.613
  169   2HB   LYS  21          1HB       LYS  21 -10.557   8.254   8.254
  170   1HG   LYS  21          2HG       LYS  21 -12.661   7.368   7.368
  171   2HG   LYS  21          1HG       LYS  21 -12.228   5.745   5.745
  172   1HD   LYS  21          2HD       LYS  21 -12.122   6.588   6.588
  173   2HD   LYS  21          1HD       LYS  21 -12.599   8.180   8.180
  174   1HE   LYS  21          2HE       LYS  21 -14.720   7.021   7.021
  175   2HE   LYS  21          1HE       LYS  21 -14.258   5.616   5.616
  176   1HZ   LYS  21          1HZ       LYS  21 -14.148   7.904   7.904
  177   2HZ   LYS  21          3HZ       LYS  21 -15.617   7.902   7.902
  178   3HZ   LYS  21          2HZ       LYS  21 -15.191   6.565   6.565
  179    H    ARG  22           H        ARG  22  -7.912   8.316   8.316
  180    HA   ARG  22           HA       ARG  22  -9.308  10.771  10.771
  181   1HB   ARG  22          2HB       ARG  22  -7.165  10.438  10.438
  182   2HB   ARG  22          1HB       ARG  22  -6.294  10.458  10.458
  183   1HG   ARG  22          2HG       ARG  22  -7.717  12.668  12.668
  184   2HG   ARG  22          1HG       ARG  22  -8.001  12.622  12.622
  185   1HD   ARG  22          2HD       ARG  22  -5.325  12.365  12.365
  186   2HD   ARG  22          1HD       ARG  22  -5.391  13.090  13.090
  187    HE   ARG  22           HE       ARG  22  -6.889  14.875  14.875
  188   1HH1  ARG  22          1HH2      ARG  22  -6.244  13.472  13.472
  189   2HH1  ARG  22          2HH2      ARG  22  -5.044  14.487  14.487
  190   1HH2  ARG  22          2HH1      ARG  22  -4.490  16.021  16.021
  191   2HH2  ARG  22          1HH1      ARG  22  -3.932  16.055  16.055
  192    H    LYS  23           H        LYS  23  -7.659   8.057   8.057
  193    HA   LYS  23           HA       LYS  23  -7.272   9.255   9.255
  194   1HB   LYS  23          2HB       LYS  23  -5.598   7.662   7.662
  195   2HB   LYS  23          1HB       LYS  23  -6.716   6.364   6.364
  196   1HG   LYS  23          2HG       LYS  23  -6.246   8.016   8.016
  197   2HG   LYS  23          1HG       LYS  23  -4.732   7.506   7.506
  198   1HD   LYS  23          2HD       LYS  23  -5.340   5.834   5.834
  199   2HD   LYS  23          1HD       LYS  23  -5.595   5.112   5.112
  200   1HE   LYS  23          2HE       LYS  23  -7.943   5.141   5.141
  201   2HE   LYS  23          1HE       LYS  23  -7.942   6.555   6.555
  202   1HZ   LYS  23          1HZ       LYS  23  -6.634   4.518   4.518
  203   2HZ   LYS  23          3HZ       LYS  23  -8.108   3.893   3.893
  204   3HZ   LYS  23          2HZ       LYS  23  -8.060   5.313   5.313
  205    H    ARG  24           H        ARG  24  -8.998   6.473   6.473
  206    HA   ARG  24           HA       ARG  24 -10.387   5.525   5.525
  207   1HB   ARG  24          2HB       ARG  24 -11.100   5.662   5.662
  208   2HB   ARG  24          1HB       ARG  24 -12.275   5.058   5.058
  209   1HG   ARG  24          2HG       ARG  24 -10.332   3.468   3.468
  210   2HG   ARG  24          1HG       ARG  24  -9.563   3.882   3.882
  211   1HD   ARG  24          2HD       ARG  24 -11.216   2.795   2.795
  212   2HD   ARG  24          1HD       ARG  24 -12.464   3.000   3.000
  213    HE   ARG  24           HE       ARG  24 -10.233   1.000   1.000
  214   1HH1  ARG  24          1HH2      ARG  24 -12.032   1.686   1.686
  215   2HH1  ARG  24          2HH2      ARG  24 -13.227   0.439   0.439
  216   1HH2  ARG  24          2HH1      ARG  24 -12.326  -0.418  -0.418
  217   2HH2  ARG  24          1HH1      ARG  24 -13.410  -0.824  -0.824
  218    H    GLN  25           H        GLN  25 -10.763   8.586   8.586
  219    HA   GLN  25           HA       GLN  25 -13.533   8.920   8.920
  220   1HB   GLN  25          2HB       GLN  25 -13.064  11.341  11.341
  221   2HB   GLN  25          1HB       GLN  25 -13.431  10.010  10.010
  222   1HG   GLN  25          2HG       GLN  25 -11.079   9.657   9.657
  223   2HG   GLN  25          1HG       GLN  25 -10.577  10.750  10.750
  224   1HE2  GLN  25          2HE2      GLN  25 -10.339  13.245  13.245
  225   2HE2  GLN  25          1HE2      GLN  25  -9.543  12.322  12.322
  226    H    GLN  26           H        GLN  26 -10.291   9.678   9.678
  227    HA   GLN  26           HA       GLN  26  -9.354  11.291  11.291
  228   1HB   GLN  26          2HB       GLN  26 -10.824   9.032   9.032
  229   2HB   GLN  26          1HB       GLN  26 -10.181  10.251  10.251
  230   1HG   GLN  26          2HG       GLN  26  -7.913   9.884   9.884
  231   2HG   GLN  26          1HG       GLN  26  -8.428   8.920   8.920
  232   1HE2  GLN  26          1HE2      GLN  26  -9.060   8.885   8.885
  233   2HE2  GLN  26          2HE2      GLN  26  -8.819   7.213   7.213
  234   1HN   NH2  27          1HT       GLN  26 -11.439  12.924  12.924
  235   2HN   NH2  27          2HT       GLN  26 -12.132  13.703  13.703

  Start of MODEL    7
    1   1H    GLY   1          3H        GLY   1   4.930  -3.802  -3.802
    2   2H    GLY   1          2H        GLY   1   5.929  -3.189  -3.189
    3   3H    GLY   1          1H        GLY   1   5.964  -4.850  -4.850
    4   1HA   GLY   1          2HA       GLY   1   4.302  -5.247  -5.247
    5   2HA   GLY   1          1HA       GLY   1   4.273  -3.512  -3.512
    6    H    ILE   2           H        ILE   2   1.788  -4.499  -4.499
    7    HA   ILE   2           HA       ILE   2   0.724  -4.006  -4.006
    8    HB   ILE   2           HB       ILE   2  -1.322  -5.205  -5.205
    9   1HG1  ILE   2          2HG1      ILE   2  -0.516  -4.948  -4.948
   10   2HG1  ILE   2          1HG1      ILE   2  -1.253  -6.442  -6.442
   11   1HG2  ILE   2          2HG2      ILE   2   1.317  -6.540  -6.540
   12   2HG2  ILE   2          1HG2      ILE   2  -0.093  -7.504  -7.504
   13   3HG2  ILE   2          3HG2      ILE   2  -0.127  -6.443  -6.443
   14   1HD1  ILE   2          1HD1      ILE   2   1.671  -6.603  -6.603
   15   2HD1  ILE   2          3HD1      ILE   2   1.217  -6.256  -6.256
   16   3HD1  ILE   2          2HD1      ILE   2   0.579  -7.663  -7.663
   17    H    GLY   3           H        GLY   3   0.538  -3.036  -3.036
   18   1HA   GLY   3          2HA       GLY   3  -1.365  -1.704  -1.704
   19   2HA   GLY   3          1HA       GLY   3   0.029  -0.713  -0.713
   20    H    ALA   4           H        ALA   4  -0.007   0.305   0.305
   21    HA   ALA   4           HA       ALA   4  -2.753   1.419   1.419
   22   1HB   ALA   4          3HB       ALA   4  -0.694   2.931   2.931
   23   2HB   ALA   4          2HB       ALA   4  -0.194   2.544   2.544
   24   3HB   ALA   4          1HB       ALA   4  -1.719   3.358   3.358
   25    H    VAL   5           H        VAL   5  -0.469  -0.610  -0.610
   26    HA   VAL   5           HA       VAL   5  -1.014  -0.216  -0.216
   27    HB   VAL   5           HB       VAL   5  -0.592  -2.986  -2.986
   28   1HG1  VAL   5          2HG1      VAL   5   0.214  -1.707  -1.707
   29   2HG1  VAL   5          1HG1      VAL   5   0.899  -3.230  -3.230
   30   3HG1  VAL   5          3HG1      VAL   5  -0.822  -3.096  -3.096
   31   1HG2  VAL   5          1HG2      VAL   5   1.484  -0.765  -0.765
   32   2HG2  VAL   5          3HG2      VAL   5   1.112  -1.657  -1.657
   33   3HG2  VAL   5          2HG2      VAL   5   1.933  -2.454  -2.454
   34    H    LEU   6           H        LEU   6  -2.477  -2.224  -2.224
   35    HA   LEU   6           HA       LEU   6  -4.605  -3.349  -3.349
   36   1HB   LEU   6          2HB       LEU   6  -4.571  -2.542  -2.542
   37   2HB   LEU   6          1HB       LEU   6  -5.792  -3.570  -3.570
   38    HG   LEU   6           HG       LEU   6  -2.865  -4.317  -4.317
   39   1HD1  LEU   6          2HD1      LEU   6  -4.726  -4.723  -4.723
   40   2HD1  LEU   6          1HD1      LEU   6  -3.345  -5.763  -5.763
   41   3HD1  LEU   6          3HD1      LEU   6  -3.109  -4.043  -4.043
   42   1HD2  LEU   6          3HD2      LEU   6  -4.692  -5.532  -5.532
   43   2HD2  LEU   6          2HD2      LEU   6  -3.765  -6.571  -6.571
   44   3HD2  LEU   6          1HD2      LEU   6  -5.370  -6.048  -6.048
   45    H    LYS   7           H        LYS   7  -4.234  -0.105  -0.105
   46    HA   LYS   7           HA       LYS   7  -7.134   0.403   0.403
   47   1HB   LYS   7          2HB       LYS   7  -5.547   1.406   1.406
   48   2HB   LYS   7          1HB       LYS   7  -5.175   2.604   2.604
   49   1HG   LYS   7          2HG       LYS   7  -7.230   3.623   3.623
   50   2HG   LYS   7          1HG       LYS   7  -8.100   2.110   2.110
   51   1HD   LYS   7          2HD       LYS   7  -7.176   1.806   1.806
   52   2HD   LYS   7          1HD       LYS   7  -6.903   3.529   3.529
   53   1HE   LYS   7          2HE       LYS   7  -9.614   2.293   2.293
   54   2HE   LYS   7          1HE       LYS   7  -9.178   2.609   2.609
   55   1HZ   LYS   7          2HZ       LYS   7  -8.604   4.919   4.919
   56   2HZ   LYS   7          1HZ       LYS   7 -10.160   4.408   4.408
   57   3HZ   LYS   7          3HZ       LYS   7  -9.789   4.734   4.734
   58    H    VAL   8           H        VAL   8  -4.033   0.833   0.833
   59    HA   VAL   8           HA       VAL   8  -4.641   2.905   2.905
   60    HB   VAL   8           HB       VAL   8  -2.690   0.542   0.542
   61   1HG1  VAL   8          2HG1      VAL   8  -3.290   1.068   1.068
   62   2HG1  VAL   8          1HG1      VAL   8  -2.265   2.478   2.478
   63   3HG1  VAL   8          3HG1      VAL   8  -1.630   0.862   0.862
   64   1HG2  VAL   8          3HG2      VAL   8  -2.422   3.562   3.562
   65   2HG2  VAL   8          2HG2      VAL   8  -2.027   2.360   2.360
   66   3HG2  VAL   8          1HG2      VAL   8  -1.013   2.535   2.535
   67    H    LEU   9           H        LEU   9  -5.479  -0.426  -0.426
   68    HA   LEU   9           HA       LEU   9  -6.594  -0.442  -0.442
   69   1HB   LEU   9          2HB       LEU   9  -7.131  -2.712  -2.712
   70   2HB   LEU   9          1HB       LEU   9  -6.687  -2.749  -2.749
   71    HG   LEU   9           HG       LEU   9  -4.767  -2.059  -2.059
   72   1HD1  LEU   9          3HD1      LEU   9  -5.273  -4.632  -4.632
   73   2HD1  LEU   9          2HD1      LEU   9  -3.784  -4.304  -4.304
   74   3HD1  LEU   9          1HD1      LEU   9  -5.320  -4.315  -4.315
   75   1HD2  LEU   9          3HD2      LEU   9  -4.210  -1.070  -1.070
   76   2HD2  LEU   9          2HD2      LEU   9  -3.015  -2.211  -2.211
   77   3HD2  LEU   9          1HD2      LEU   9  -4.186  -2.704  -2.704
   78    H    THR  10           H        THR  10  -7.681   1.070   1.070
   79    HA   THR  10           HA       THR  10 -10.487   0.022   0.022
   80    HB   THR  10           HB       THR  10  -9.569   2.260   2.260
   81    HG1  THR  10           HG1      THR  10  -8.589  -0.262  -0.262
   82   1HG2  THR  10          1HG2      THR  10 -11.457  -0.149  -0.149
   83   2HG2  THR  10          3HG2      THR  10 -11.186   1.103   1.103
   84   3HG2  THR  10          2HG2      THR  10 -11.995   1.492   1.492
   85    H    THR  11           H        THR  11  -8.541   2.189   2.189
   86    HA   THR  11           HA       THR  11 -10.844   3.970   3.970
   87    HB   THR  11           HB       THR  11  -8.387   5.350   5.350
   88    HG1  THR  11           HG1      THR  11  -8.455   3.995   3.995
   89   1HG2  THR  11          2HG2      THR  11 -10.454   5.674   5.674
   90   2HG2  THR  11          1HG2      THR  11  -8.950   6.568   6.568
   91   3HG2  THR  11          3HG2      THR  11  -9.994   6.799   6.799
   92    H    GLY  12           H        GLY  12  -7.648   3.529   3.529
   93   1HA   GLY  12          2HA       GLY  12  -8.608   2.060   2.060
   94   2HA   GLY  12          1HA       GLY  12  -7.795   3.624   3.624
   95    H    LEU  13           H        LEU  13  -5.751   3.894   3.894
   96    HA   LEU  13           HA       LEU  13  -4.092   2.135   2.135
   97   1HB   LEU  13          2HB       LEU  13  -4.384   1.509   1.509
   98   2HB   LEU  13          1HB       LEU  13  -2.712   1.746   1.746
   99    HG   LEU  13           HG       LEU  13  -4.441   0.005   0.005
  100   1HD1  LEU  13          2HD1      LEU  13  -3.325  -0.872  -0.872
  101   2HD1  LEU  13          1HD1      LEU  13  -3.863  -1.977  -1.977
  102   3HD1  LEU  13          3HD1      LEU  13  -5.004  -0.873  -0.873
  103   1HD2  LEU  13          1HD2      LEU  13  -2.008   0.611   0.611
  104   2HD2  LEU  13          3HD2      LEU  13  -2.328  -1.115  -1.115
  105   3HD2  LEU  13          2HD2      LEU  13  -1.547  -0.316  -0.316
  106    HA   PRO  14           HA       DPR  14  -1.582   5.735   5.735
  107   1HB   PRO  14          2HB       DPR  14  -1.804   6.843   6.843
  108   2HB   PRO  14          1HB       DPR  14  -3.444   7.369   7.369
  109   1HG   PRO  14          2HG       DPR  14  -2.542   4.803   4.803
  110   2HG   PRO  14          1HG       DPR  14  -4.010   5.727   5.727
  111   1HD   PRO  14          2HD       DPR  14  -4.096   3.445   3.445
  112   2HD   PRO  14          1HD       DPR  14  -5.129   4.809   4.809
  113    H    ALA  15           H        ALA  15  -1.700   6.473   6.473
  114    HA   ALA  15           HA       ALA  15  -3.611   8.712   8.712
  115   1HB   ALA  15          3HB       ALA  15  -1.163   9.151   9.151
  116   2HB   ALA  15          2HB       ALA  15  -1.118   7.968   7.968
  117   3HB   ALA  15          1HB       ALA  15  -2.063   9.434   9.434
  118    H    LEU  16           H        LEU  16  -3.394   5.491   5.491
  119    HA   LEU  16           HA       LEU  16  -3.927   5.350   5.350
  120   1HB   LEU  16          2HB       LEU  16  -4.382   3.626   3.626
  121   2HB   LEU  16          1HB       LEU  16  -5.601   3.372   3.372
  122    HG   LEU  16           HG       LEU  16  -2.856   3.688   3.688
  123   1HD1  LEU  16          1HD1      LEU  16  -2.247   2.575   2.575
  124   2HD1  LEU  16          3HD1      LEU  16  -3.294   1.226   1.226
  125   3HD1  LEU  16          2HD1      LEU  16  -1.905   1.629   1.629
  126   1HD2  LEU  16          1HD2      LEU  16  -4.992   2.870   2.870
  127   2HD2  LEU  16          3HD2      LEU  16  -3.549   1.910   1.910
  128   3HD2  LEU  16          2HD2      LEU  16  -4.772   1.362   1.362
  129    H    ILE  17           H        ILE  17  -6.118   6.614   6.614
  130    HA   ILE  17           HA       ILE  17  -8.543   6.297   6.297
  131    HB   ILE  17           HB       ILE  17  -8.484   8.817   8.817
  132   1HG1  ILE  17          2HG1      ILE  17  -8.552   7.290   7.290
  133   2HG1  ILE  17          1HG1      ILE  17  -7.459   6.279   6.279
  134   1HG2  ILE  17          2HG2      ILE  17 -10.511   7.625   7.625
  135   2HG2  ILE  17          1HG2      ILE  17 -10.151   6.290   6.290
  136   3HG2  ILE  17          3HG2      ILE  17 -10.522   7.878   7.878
  137   1HD1  ILE  17          3HD1      ILE  17  -7.018   9.304   9.304
  138   2HD1  ILE  17          2HD1      ILE  17  -6.405   8.146   8.146
  139   3HD1  ILE  17          1HD1      ILE  17  -5.838   8.110   8.110
  140    H    SER  18           H        SER  18  -5.977   8.625   8.625
  141    HA   SER  18           HA       SER  18  -7.373  10.235  10.235
  142   1HB   SER  18          2HB       SER  18  -5.082  10.779  10.779
  143   2HB   SER  18          1HB       SER  18  -5.239  11.747  11.747
  144    HG   SER  18           HG       SER  18  -6.712  12.744  12.744
  145    H    TRP  19           H        TRP  19  -5.793   7.598   7.598
  146    HA   TRP  19           HA       TRP  19  -3.888   8.052   8.052
  147   1HB   TRP  19          2HB       TRP  19  -3.521   6.787   6.787
  148   2HB   TRP  19          1HB       TRP  19  -4.184   5.402   5.402
  149    HD1  TRP  19           HD1      TRP  19  -1.194   6.156   6.156
  150    HE1  TRP  19           HE1      TRP  19   0.874   5.518   5.518
  151    HE3  TRP  19           HE3      TRP  19  -3.376   5.739   5.739
  152    HZ2  TRP  19           HZ2      TRP  19   1.470   4.944   4.944
  153    HZ3  TRP  19           HZ3      TRP  19  -1.953   5.124   5.124
  154    HH2  TRP  19           HH2      TRP  19   0.458   4.727   4.727
  155    H    ILE  20           H        ILE  20  -6.127   5.349   5.349
  156    HA   ILE  20           HA       ILE  20  -6.639   5.051   5.051
  157    HB   ILE  20           HB       ILE  20  -6.684   3.290   3.290
  158   1HG1  ILE  20          2HG1      ILE  20  -6.630   1.523   1.523
  159   2HG1  ILE  20          1HG1      ILE  20  -6.767   2.815   2.815
  160   1HG2  ILE  20          3HG2      ILE  20  -9.081   3.260   3.260
  161   2HG2  ILE  20          2HG2      ILE  20  -8.655   1.941   1.941
  162   3HG2  ILE  20          1HG2      ILE  20  -9.080   3.528   3.528
  163   1HD1  ILE  20          2HD1      ILE  20  -4.604   3.636   3.636
  164   2HD1  ILE  20          1HD1      ILE  20  -4.415   1.899   1.899
  165   3HD1  ILE  20          3HD1      ILE  20  -4.474   2.877   2.877
  166    H    LYS  21           H        LYS  21  -8.349   5.894   5.894
  167    HA   LYS  21           HA       LYS  21 -10.908   6.039   6.039
  168   1HB   LYS  21          2HB       LYS  21  -9.886   6.518   6.518
  169   2HB   LYS  21          1HB       LYS  21 -10.946   7.831   7.831
  170   1HG   LYS  21          2HG       LYS  21 -12.497   5.807   5.807
  171   2HG   LYS  21          1HG       LYS  21 -11.501   4.850   4.850
  172   1HD   LYS  21          2HD       LYS  21 -12.535   5.656   5.656
  173   2HD   LYS  21          1HD       LYS  21 -12.373   7.325   7.325
  174   1HE   LYS  21          2HE       LYS  21 -14.368   7.182   7.182
  175   2HE   LYS  21          1HE       LYS  21 -14.512   5.452   5.452
  176   1HZ   LYS  21          1HZ       LYS  21 -14.421   6.744   6.744
  177   2HZ   LYS  21          3HZ       LYS  21 -15.572   7.543   7.543
  178   3HZ   LYS  21          2HZ       LYS  21 -15.688   5.866   5.866
  179    H    ARG  22           H        ARG  22  -8.137   7.952   7.952
  180    HA   ARG  22           HA       ARG  22  -9.641  10.392  10.392
  181   1HB   ARG  22          2HB       ARG  22  -7.509  10.606  10.606
  182   2HB   ARG  22          1HB       ARG  22  -6.622   9.801   9.801
  183   1HG   ARG  22          2HG       ARG  22  -8.093  11.969  11.969
  184   2HG   ARG  22          1HG       ARG  22  -7.412  12.617  12.617
  185   1HD   ARG  22          2HD       ARG  22  -5.764  11.062  11.062
  186   2HD   ARG  22          1HD       ARG  22  -5.905  12.809  12.809
  187    HE   ARG  22           HE       ARG  22  -4.784  11.279  11.279
  188   1HH1  ARG  22          1HH2      ARG  22  -5.605  14.157  14.157
  189   2HH1  ARG  22          2HH2      ARG  22  -4.104  15.007  15.007
  190   1HH2  ARG  22          2HH1      ARG  22  -2.540  12.026  12.026
  191   2HH2  ARG  22          1HH1      ARG  22  -2.200  13.691  13.691
  192    H    LYS  23           H        LYS  23  -7.142   8.325   8.325
  193    HA   LYS  23           HA       LYS  23  -7.545   9.201   9.201
  194   1HB   LYS  23          2HB       LYS  23  -6.173   7.388   7.388
  195   2HB   LYS  23          1HB       LYS  23  -5.607   7.754   7.754
  196   1HG   LYS  23          2HG       LYS  23  -5.760   5.425   5.425
  197   2HG   LYS  23          1HG       LYS  23  -7.281   5.962   5.962
  198   1HD   LYS  23          2HD       LYS  23  -8.496   4.842   4.842
  199   2HD   LYS  23          1HD       LYS  23  -7.743   5.659   5.659
  200   1HE   LYS  23          2HE       LYS  23  -6.494   3.295   3.295
  201   2HE   LYS  23          1HE       LYS  23  -7.606   3.102   3.102
  202   1HZ   LYS  23          3HZ       LYS  23  -5.686   5.019   5.019
  203   2HZ   LYS  23          2HZ       LYS  23  -4.864   3.712   3.712
  204   3HZ   LYS  23          1HZ       LYS  23  -5.861   3.462   3.462
  205    H    ARG  24           H        ARG  24  -9.360   6.664   6.664
  206    HA   ARG  24           HA       ARG  24 -10.581   5.769   5.769
  207   1HB   ARG  24          2HB       ARG  24 -10.549   4.692   4.692
  208   2HB   ARG  24          1HB       ARG  24 -12.140   5.440   5.440
  209   1HG   ARG  24          2HG       ARG  24 -12.612   4.295   4.295
  210   2HG   ARG  24          1HG       ARG  24 -11.081   3.464   3.464
  211   1HD   ARG  24          2HD       ARG  24 -12.567   1.892   1.892
  212   2HD   ARG  24          1HD       ARG  24 -12.022   2.692   2.692
  213    HE   ARG  24           HE       ARG  24 -14.150   4.164   4.164
  214   1HH1  ARG  24          2HH1      ARG  24 -15.136   3.096   3.096
  215   2HH1  ARG  24          1HH1      ARG  24 -16.240   1.832   1.832
  216   1HH2  ARG  24          1HH2      ARG  24 -14.777   1.726   1.726
  217   2HH2  ARG  24          2HH2      ARG  24 -16.010   0.974   0.974
  218    H    GLN  25           H        GLN  25 -10.962   8.562   8.562
  219    HA   GLN  25           HA       GLN  25 -13.724   9.004   9.004
  220   1HB   GLN  25          2HB       GLN  25 -12.045  10.421  10.421
  221   2HB   GLN  25          1HB       GLN  25 -13.550  11.088  11.088
  222   1HG   GLN  25          2HG       GLN  25 -14.538   8.689   8.689
  223   2HG   GLN  25          1HG       GLN  25 -13.114   8.555   8.555
  224   1HE2  GLN  25          2HE2      GLN  25 -16.087  10.280  10.280
  225   2HE2  GLN  25          1HE2      GLN  25 -16.095   8.931   8.931
  226    H    GLN  26           H        GLN  26 -10.530  10.373  10.373
  227    HA   GLN  26           HA       GLN  26 -11.041  12.045  12.045
  228   1HB   GLN  26          2HB       GLN  26  -8.962  12.454  12.454
  229   2HB   GLN  26          1HB       GLN  26  -9.241  13.538  13.538
  230   1HG   GLN  26          2HG       GLN  26 -11.366  14.243  14.243
  231   2HG   GLN  26          1HG       GLN  26 -11.494  12.900  12.900
  232   1HE2  GLN  26          2HE2      GLN  26  -9.732  14.619  14.619
  233   2HE2  GLN  26          1HE2      GLN  26 -10.597  13.209  13.209
  234   1HN   NH2  27          1HT       GLN  26 -10.337  10.561  10.561
  235   2HN   NH2  27          2HT       GLN  26  -8.775   9.895   9.895

  Start of MODEL    8
    1   1H    GLY   1          2H        GLY   1   4.901  -2.676  -2.676
    2   2H    GLY   1          1H        GLY   1   5.643  -2.195  -2.195
    3   3H    GLY   1          3H        GLY   1   5.877  -3.775  -3.775
    4   1HA   GLY   1          2HA       GLY   1   4.050  -4.483  -4.483
    5   2HA   GLY   1          1HA       GLY   1   3.817  -2.834  -2.834
    6    H    ILE   2           H        ILE   2   1.425  -3.911  -3.911
    7    HA   ILE   2           HA       ILE   2   0.814  -3.069  -3.069
    8    HB   ILE   2           HB       ILE   2  -1.317  -4.551  -4.551
    9   1HG1  ILE   2          2HG1      ILE   2  -0.873  -6.453  -6.453
   10   2HG1  ILE   2          1HG1      ILE   2   0.593  -5.713  -5.713
   11   1HG2  ILE   2          2HG2      ILE   2   1.489  -5.643  -5.643
   12   2HG2  ILE   2          1HG2      ILE   2   0.040  -6.606  -6.606
   13   3HG2  ILE   2          3HG2      ILE   2   0.323  -5.195  -5.195
   14   1HD1  ILE   2          2HD1      ILE   2  -1.905  -4.043  -4.043
   15   2HD1  ILE   2          1HD1      ILE   2  -1.846  -5.474  -5.474
   16   3HD1  ILE   2          3HD1      ILE   2  -0.612  -4.252  -4.252
   17    H    GLY   3           H        GLY   3   0.141  -2.413  -2.413
   18   1HA   GLY   3          2HA       GLY   3  -1.988  -1.347  -1.347
   19   2HA   GLY   3          1HA       GLY   3  -0.683  -0.203  -0.203
   20    H    ALA   4           H        ALA   4  -0.593   0.992   0.992
   21    HA   ALA   4           HA       ALA   4  -3.377   1.850   1.850
   22   1HB   ALA   4          3HB       ALA   4  -1.766   3.612   3.612
   23   2HB   ALA   4          2HB       ALA   4  -0.756   3.252   3.252
   24   3HB   ALA   4          1HB       ALA   4  -2.373   3.888   3.888
   25    H    VAL   5           H        VAL   5  -0.845   0.052   0.052
   26    HA   VAL   5           HA       VAL   5  -1.066   0.632   0.632
   27    HB   VAL   5           HB       VAL   5  -0.515  -2.141  -2.141
   28   1HG1  VAL   5          1HG1      VAL   5  -0.746  -1.932  -1.932
   29   2HG1  VAL   5          3HG1      VAL   5   0.610  -0.817  -0.817
   30   3HG1  VAL   5          2HG1      VAL   5   0.841  -2.487  -2.487
   31   1HG2  VAL   5          1HG2      VAL   5   1.362   0.266   0.266
   32   2HG2  VAL   5          3HG2      VAL   5   1.000  -0.663  -0.663
   33   3HG2  VAL   5          2HG2      VAL   5   1.970  -1.372  -1.372
   34    H    LEU   6           H        LEU   6  -2.637  -1.462  -1.462
   35    HA   LEU   6           HA       LEU   6  -4.484  -2.758  -2.758
   36   1HB   LEU   6          2HB       LEU   6  -4.951  -1.959  -1.959
   37   2HB   LEU   6          1HB       LEU   6  -5.872  -3.151  -3.151
   38    HG   LEU   6           HG       LEU   6  -2.941  -3.324  -3.324
   39   1HD1  LEU   6          3HD1      LEU   6  -5.411  -4.912  -4.912
   40   2HD1  LEU   6          2HD1      LEU   6  -3.780  -5.346  -5.346
   41   3HD1  LEU   6          1HD1      LEU   6  -4.480  -3.832  -3.832
   42   1HD2  LEU   6          3HD2      LEU   6  -4.617  -5.116  -5.116
   43   2HD2  LEU   6          2HD2      LEU   6  -3.024  -4.452  -4.452
   44   3HD2  LEU   6          1HD2      LEU   6  -3.219  -5.747  -5.747
   45    H    LYS   7           H        LYS   7  -4.361   0.484   0.484
   46    HA   LYS   7           HA       LYS   7  -7.222   0.989   0.989
   47   1HB   LYS   7          2HB       LYS   7  -5.115   2.488   2.488
   48   2HB   LYS   7          1HB       LYS   7  -6.339   3.425   3.425
   49   1HG   LYS   7          2HG       LYS   7  -8.135   2.459   2.459
   50   2HG   LYS   7          1HG       LYS   7  -7.173   1.092   1.092
   51   1HD   LYS   7          2HD       LYS   7  -6.049   2.234   2.234
   52   2HD   LYS   7          1HD       LYS   7  -6.180   3.796   3.796
   53   1HE   LYS   7          2HE       LYS   7  -8.509   2.304   2.304
   54   2HE   LYS   7          1HE       LYS   7  -7.611   3.625   3.625
   55   1HZ   LYS   7          3HZ       LYS   7  -8.440   4.414   4.414
   56   2HZ   LYS   7          2HZ       LYS   7  -9.792   3.794   3.794
   57   3HZ   LYS   7          1HZ       LYS   7  -8.910   5.070   5.070
   58    H    VAL   8           H        VAL   8  -4.317   0.843   0.843
   59    HA   VAL   8           HA       VAL   8  -4.762   3.143   3.143
   60    HB   VAL   8           HB       VAL   8  -2.610   1.038   1.038
   61   1HG1  VAL   8          2HG1      VAL   8  -3.082   2.520   2.520
   62   2HG1  VAL   8          1HG1      VAL   8  -1.443   2.624   2.624
   63   3HG1  VAL   8          3HG1      VAL   8  -2.175   1.058   1.058
   64   1HG2  VAL   8          1HG2      VAL   8  -2.605   2.973   2.973
   65   2HG2  VAL   8          3HG2      VAL   8  -1.194   3.033   3.033
   66   3HG2  VAL   8          2HG2      VAL   8  -2.575   4.074   4.074
   67    H    LEU   9           H        LEU   9  -4.651  -0.394  -0.394
   68    HA   LEU   9           HA       LEU   9  -5.662  -0.340  -0.340
   69   1HB   LEU   9          2HB       LEU   9  -5.165  -2.553  -2.553
   70   2HB   LEU   9          1HB       LEU   9  -3.856  -1.831  -1.831
   71    HG   LEU   9           HG       LEU   9  -6.088  -3.677  -3.677
   72   1HD1  LEU   9          1HD1      LEU   9  -3.892  -4.524  -4.524
   73   2HD1  LEU   9          3HD1      LEU   9  -3.065  -3.531  -3.531
   74   3HD1  LEU   9          2HD1      LEU   9  -4.092  -4.863  -4.863
   75   1HD2  LEU   9          1HD2      LEU   9  -6.054  -1.755  -1.755
   76   2HD2  LEU   9          3HD2      LEU   9  -5.514  -3.266  -3.266
   77   3HD2  LEU   9          2HD2      LEU   9  -4.331  -2.057  -2.057
   78    H    THR  10           H        THR  10  -7.248   0.376   0.376
   79    HA   THR  10           HA       THR  10  -9.540  -1.489  -1.489
   80    HB   THR  10           HB       THR  10 -10.038   0.382   0.382
   81    HG1  THR  10           HG1      THR  10  -7.512  -0.639  -0.639
   82   1HG2  THR  10          2HG2      THR  10  -8.771  -2.428  -2.428
   83   2HG2  THR  10          1HG2      THR  10  -9.227  -1.587  -1.587
   84   3HG2  THR  10          3HG2      THR  10 -10.452  -2.041  -2.041
   85    H    THR  11           H        THR  11  -8.436   1.606   1.606
   86    HA   THR  11           HA       THR  11 -11.233   2.503   2.503
   87    HB   THR  11           HB       THR  11  -8.870   4.450   4.450
   88    HG1  THR  11           HG1      THR  11  -9.391   2.976   2.976
   89   1HG2  THR  11          2HG2      THR  11 -11.358   5.122   5.122
   90   2HG2  THR  11          1HG2      THR  11 -11.538   4.668   4.668
   91   3HG2  THR  11          3HG2      THR  11 -10.463   5.982   5.982
   92    H    GLY  12           H        GLY  12  -7.921   2.834   2.834
   93   1HA   GLY  12          2HA       GLY  12  -8.825   1.685   1.685
   94   2HA   GLY  12          1HA       GLY  12  -8.152   3.329   3.329
   95    H    LEU  13           H        LEU  13  -6.130   3.300   3.300
   96    HA   LEU  13           HA       LEU  13  -4.177   1.617   1.617
   97   1HB   LEU  13          2HB       LEU  13  -5.037   1.173   1.173
   98   2HB   LEU  13          1HB       LEU  13  -3.300   1.395   1.395
   99    HG   LEU  13           HG       LEU  13  -4.826  -0.560  -0.560
  100   1HD1  LEU  13          3HD1      LEU  13  -3.632  -0.924  -0.924
  101   2HD1  LEU  13          2HD1      LEU  13  -3.841  -2.276  -2.276
  102   3HD1  LEU  13          1HD1      LEU  13  -5.236  -1.365  -1.365
  103   1HD2  LEU  13          1HD2      LEU  13  -1.879  -0.173  -0.173
  104   2HD2  LEU  13          3HD2      LEU  13  -2.597  -0.007  -0.007
  105   3HD2  LEU  13          2HD2      LEU  13  -2.480  -1.584  -1.584
  106    HA   PRO  14           HA       DPR  14  -1.808   5.197   5.197
  107   1HB   PRO  14          2HB       DPR  14  -2.326   6.551   6.551
  108   2HB   PRO  14          1HB       DPR  14  -3.890   7.019   7.019
  109   1HG   PRO  14          2HG       DPR  14  -3.186   4.605   4.605
  110   2HG   PRO  14          1HG       DPR  14  -4.684   5.523   5.523
  111   1HD   PRO  14          2HD       DPR  14  -4.489   3.104   3.104
  112   2HD   PRO  14          1HD       DPR  14  -5.538   4.380   4.380
  113    H    ALA  15           H        ALA  15  -1.841   5.345   5.345
  114    HA   ALA  15           HA       ALA  15  -3.003   7.947   7.947
  115   1HB   ALA  15          1HB       ALA  15  -0.541   7.587   7.587
  116   2HB   ALA  15          3HB       ALA  15  -0.864   6.312   6.312
  117   3HB   ALA  15          2HB       ALA  15  -1.328   7.975   7.975
  118    H    LEU  16           H        LEU  16  -3.503   4.592   4.592
  119    HA   LEU  16           HA       LEU  16  -4.236   4.407   4.407
  120   1HB   LEU  16          2HB       LEU  16  -5.234   3.143   3.143
  121   2HB   LEU  16          1HB       LEU  16  -6.160   2.858   2.858
  122    HG   LEU  16           HG       LEU  16  -4.293   1.209   1.209
  123   1HD1  LEU  16          1HD1      LEU  16  -4.585   2.533   2.533
  124   2HD1  LEU  16          3HD1      LEU  16  -3.579   1.113   1.113
  125   3HD1  LEU  16          2HD1      LEU  16  -5.292   1.031   1.031
  126   1HD2  LEU  16          2HD2      LEU  16  -2.470   2.843   2.843
  127   2HD2  LEU  16          1HD2      LEU  16  -2.013   1.702   1.702
  128   3HD2  LEU  16          3HD2      LEU  16  -2.444   3.338   3.338
  129    H    ILE  17           H        ILE  17  -6.281   5.734   5.734
  130    HA   ILE  17           HA       ILE  17  -8.585   6.132   6.132
  131    HB   ILE  17           HB       ILE  17  -8.707   8.184   8.184
  132   1HG1  ILE  17          2HG1      ILE  17  -7.909   7.320   7.320
  133   2HG1  ILE  17          1HG1      ILE  17  -7.103   5.984   5.984
  134   1HG2  ILE  17          3HG2      ILE  17 -10.378   6.429   6.429
  135   2HG2  ILE  17          2HG2      ILE  17  -9.392   5.278   5.278
  136   3HG2  ILE  17          1HG2      ILE  17 -10.109   6.660   6.660
  137   1HD1  ILE  17          2HD1      ILE  17  -6.487   8.763   8.763
  138   2HD1  ILE  17          1HD1      ILE  17  -5.879   8.341   8.341
  139   3HD1  ILE  17          3HD1      ILE  17  -5.415   7.390   7.390
  140    H    SER  18           H        SER  18  -5.627   7.809   7.809
  141    HA   SER  18           HA       SER  18  -6.655  10.108  10.108
  142   1HB   SER  18          2HB       SER  18  -4.331   9.704   9.704
  143   2HB   SER  18          1HB       SER  18  -4.027  10.759  10.759
  144    HG   SER  18           HG       SER  18  -5.146  12.167  12.167
  145    H    TRP  19           H        TRP  19  -5.576   7.151   7.151
  146    HA   TRP  19           HA       TRP  19  -3.883   7.901   7.901
  147   1HB   TRP  19          2HB       TRP  19  -3.466   5.945   5.945
  148   2HB   TRP  19          1HB       TRP  19  -4.254   4.973   4.973
  149    HD1  TRP  19           HD1      TRP  19  -0.963   5.487   5.487
  150    HE1  TRP  19           HE1      TRP  19   0.793   5.443   5.443
  151    HE3  TRP  19           HE3      TRP  19  -3.990   6.154   6.154
  152    HZ2  TRP  19           HZ2      TRP  19   0.903   5.640   5.640
  153    HZ3  TRP  19           HZ3      TRP  19  -2.945   6.196   6.196
  154    HH2  TRP  19           HH2      TRP  19  -0.502   5.938   5.938
  155    H    ILE  20           H        ILE  20  -6.300   5.306   5.306
  156    HA   ILE  20           HA       ILE  20  -7.134   5.576   5.576
  157    HB   ILE  20           HB       ILE  20  -7.240   3.547   3.547
  158   1HG1  ILE  20          2HG1      ILE  20  -7.494   3.198   3.198
  159   2HG1  ILE  20          1HG1      ILE  20  -5.951   3.434   3.434
  160   1HG2  ILE  20          2HG2      ILE  20  -9.604   3.893   3.893
  161   2HG2  ILE  20          1HG2      ILE  20  -9.311   2.458   2.458
  162   3HG2  ILE  20          3HG2      ILE  20  -9.598   4.012   4.012
  163   1HD1  ILE  20          3HD1      ILE  20  -6.462   1.420   1.420
  164   2HD1  ILE  20          2HD1      ILE  20  -7.897   1.135   1.135
  165   3HD1  ILE  20          1HD1      ILE  20  -6.312   1.046   1.046
  166    H    LYS  21           H        LYS  21  -8.474   6.297   6.297
  167    HA   LYS  21           HA       LYS  21 -11.086   6.823   6.823
  168   1HB   LYS  21          2HB       LYS  21  -9.934   6.902   6.902
  169   2HB   LYS  21          1HB       LYS  21 -10.654   8.472   8.472
  170   1HG   LYS  21          2HG       LYS  21 -12.702   7.097   7.097
  171   2HG   LYS  21          1HG       LYS  21 -11.952   5.706   5.706
  172   1HD   LYS  21          2HD       LYS  21 -12.628   6.305   6.305
  173   2HD   LYS  21          1HD       LYS  21 -12.052   7.956   7.956
  174   1HE   LYS  21          2HE       LYS  21 -14.121   8.458   8.458
  175   2HE   LYS  21          1HE       LYS  21 -14.701   6.834   6.834
  176   1HZ   LYS  21          2HZ       LYS  21 -13.998   8.013   8.013
  177   2HZ   LYS  21          1HZ       LYS  21 -14.926   9.131   9.131
  178   3HZ   LYS  21          3HZ       LYS  21 -15.532   7.579   7.579
  179    H    ARG  22           H        ARG  22  -8.078   8.392   8.392
  180    HA   ARG  22           HA       ARG  22  -8.999  11.077  11.077
  181   1HB   ARG  22          2HB       ARG  22  -6.813  10.768  10.768
  182   2HB   ARG  22          1HB       ARG  22  -6.217   9.738   9.738
  183   1HG   ARG  22          2HG       ARG  22  -7.006  12.179  12.179
  184   2HG   ARG  22          1HG       ARG  22  -6.238  12.682  12.682
  185   1HD   ARG  22          2HD       ARG  22  -4.944  10.669  10.669
  186   2HD   ARG  22          1HD       ARG  22  -4.688  12.396  12.396
  187    HE   ARG  22           HE       ARG  22  -3.998  10.846  10.846
  188   1HH1  ARG  22          1HH2      ARG  22  -4.068  13.849  13.849
  189   2HH1  ARG  22          2HH2      ARG  22  -2.397  14.280  14.280
  190   1HH2  ARG  22          2HH1      ARG  22  -1.607  10.776  10.776
  191   2HH2  ARG  22          1HH1      ARG  22  -0.830  12.310  12.310
  192    H    LYS  23           H        LYS  23  -7.115   8.612   8.612
  193    HA   LYS  23           HA       LYS  23  -7.301   9.569   9.569
  194   1HB   LYS  23          2HB       LYS  23  -6.022   7.509   7.509
  195   2HB   LYS  23          1HB       LYS  23  -7.514   6.610   6.610
  196   1HG   LYS  23          2HG       LYS  23  -6.863   8.137   8.137
  197   2HG   LYS  23          1HG       LYS  23  -5.540   7.108   7.108
  198   1HD   LYS  23          2HD       LYS  23  -6.783   5.722   5.722
  199   2HD   LYS  23          1HD       LYS  23  -7.275   5.182   5.182
  200   1HE   LYS  23          2HE       LYS  23  -9.403   6.264   6.264
  201   2HE   LYS  23          1HE       LYS  23  -8.876   7.350   7.350
  202   1HZ   LYS  23          1HZ       LYS  23  -8.642   4.710   4.710
  203   2HZ   LYS  23          3HZ       LYS  23 -10.191   4.897   4.897
  204   3HZ   LYS  23          2HZ       LYS  23  -9.638   5.957   5.957
  205    H    ARG  24           H        ARG  24  -9.655   7.750   7.750
  206    HA   ARG  24           HA       ARG  24 -11.512   7.262   7.262
  207   1HB   ARG  24          2HB       ARG  24 -11.650   7.231   7.231
  208   2HB   ARG  24          1HB       ARG  24 -13.144   7.187   7.187
  209   1HG   ARG  24          2HG       ARG  24 -11.626   5.250   5.250
  210   2HG   ARG  24          1HG       ARG  24 -11.071   5.079   5.079
  211   1HD   ARG  24          2HD       ARG  24 -13.038   3.623   3.623
  212   2HD   ARG  24          1HD       ARG  24 -13.352   4.738   4.738
  213    HE   ARG  24           HE       ARG  24 -14.223   5.393   5.393
  214   1HH1  ARG  24          2HH1      ARG  24 -15.045   7.556   7.556
  215   2HH1  ARG  24          1HH1      ARG  24 -16.526   7.161   7.161
  216   1HH2  ARG  24          1HH2      ARG  24 -15.858   3.682   3.682
  217   2HH2  ARG  24          2HH2      ARG  24 -17.034   4.762   4.762
  218    H    GLN  25           H        GLN  25 -10.890  10.047  10.047
  219    HA   GLN  25           HA       GLN  25 -13.439  11.332  11.332
  220   1HB   GLN  25          2HB       GLN  25 -11.308  12.173  12.173
  221   2HB   GLN  25          1HB       GLN  25 -12.661  13.195  13.195
  222   1HG   GLN  25          2HG       GLN  25 -12.872  10.375  10.375
  223   2HG   GLN  25          1HG       GLN  25 -13.100  11.847  11.847
  224   1HE2  GLN  25          2HE2      GLN  25 -16.155  12.328  12.328
  225   2HE2  GLN  25          1HE2      GLN  25 -14.643  13.087  13.087
  226    H    GLN  26           H        GLN  26  -9.970  11.796  11.796
  227    HA   GLN  26           HA       GLN  26 -10.221  13.535  13.535
  228   1HB   GLN  26          2HB       GLN  26  -9.530  14.515  14.515
  229   2HB   GLN  26          1HB       GLN  26  -7.945  13.980  13.980
  230   1HG   GLN  26          2HG       GLN  26  -9.694  15.736  15.736
  231   2HG   GLN  26          1HG       GLN  26  -8.674  16.440  16.440
  232   1HE2  GLN  26          2HE2      GLN  26  -5.673  15.806  15.806
  233   2HE2  GLN  26          1HE2      GLN  26  -6.301  16.203  16.203
  234   1HN   NH2  27          1HT       GLN  26  -8.961  12.774  12.774
  235   2HN   NH2  27          2HT       GLN  26  -7.694  11.661  11.661

  Start of MODEL    9
    1   1H    GLY   1          2H        GLY   1   4.443  -3.919  -3.919
    2   2H    GLY   1          1H        GLY   1   5.612  -3.241  -3.241
    3   3H    GLY   1          3H        GLY   1   5.503  -4.934  -4.934
    4   1HA   GLY   1          2HA       GLY   1   3.992  -5.037  -5.037
    5   2HA   GLY   1          1HA       GLY   1   4.120  -3.270  -3.270
    6    H    ILE   2           H        ILE   2   1.574  -4.131  -4.131
    7    HA   ILE   2           HA       ILE   2   0.248  -3.765  -3.765
    8    HB   ILE   2           HB       ILE   2  -1.722  -4.874  -4.874
    9   1HG1  ILE   2          2HG1      ILE   2  -1.063  -4.431  -4.431
   10   2HG1  ILE   2          1HG1      ILE   2  -1.613  -6.030  -6.030
   11   1HG2  ILE   2          2HG2      ILE   2   0.879  -6.340  -6.340
   12   2HG2  ILE   2          1HG2      ILE   2  -0.584  -7.202  -7.202
   13   3HG2  ILE   2          3HG2      ILE   2  -0.542  -6.261  -6.261
   14   1HD1  ILE   2          2HD1      ILE   2   1.230  -6.181  -6.181
   15   2HD1  ILE   2          1HD1      ILE   2   0.920  -5.310  -5.310
   16   3HD1  ILE   2          3HD1      ILE   2   0.235  -6.894  -6.894
   17    H    GLY   3           H        GLY   3   0.206  -2.769  -2.769
   18   1HA   GLY   3          2HA       GLY   3  -1.672  -1.312  -1.312
   19   2HA   GLY   3          1HA       GLY   3  -0.161  -0.464  -0.464
   20    H    ALA   4           H        ALA   4  -0.002   0.324   0.324
   21    HA   ALA   4           HA       ALA   4  -2.410   2.053   2.053
   22   1HB   ALA   4          1HB       ALA   4  -0.131   3.129   3.129
   23   2HB   ALA   4          3HB       ALA   4   0.328   2.372   2.372
   24   3HB   ALA   4          2HB       ALA   4  -0.974   3.545   3.545
   25    H    VAL   5           H        VAL   5  -0.527  -0.404  -0.404
   26    HA   VAL   5           HA       VAL   5  -1.357  -0.067  -0.067
   27    HB   VAL   5           HB       VAL   5  -1.078  -2.792  -2.792
   28   1HG1  VAL   5          2HG1      VAL   5  -1.759  -2.504  -2.504
   29   2HG1  VAL   5          1HG1      VAL   5  -0.083  -2.042  -2.042
   30   3HG1  VAL   5          3HG1      VAL   5  -0.471  -3.627  -3.627
   31   1HG2  VAL   5          3HG2      VAL   5   1.097  -0.797  -0.797
   32   2HG2  VAL   5          2HG2      VAL   5   0.924  -1.667  -1.667
   33   3HG2  VAL   5          1HG2      VAL   5   1.436  -2.519  -2.519
   34    H    LEU   6           H        LEU   6  -2.805  -1.718  -1.718
   35    HA   LEU   6           HA       LEU   6  -5.148  -2.719  -2.719
   36   1HB   LEU   6          2HB       LEU   6  -4.910  -1.774  -1.774
   37   2HB   LEU   6          1HB       LEU   6  -6.137  -2.851  -2.851
   38    HG   LEU   6           HG       LEU   6  -3.139  -3.437  -3.437
   39   1HD1  LEU   6          1HD1      LEU   6  -5.469  -4.446  -4.446
   40   2HD1  LEU   6          3HD1      LEU   6  -3.888  -5.203  -5.203
   41   3HD1  LEU   6          2HD1      LEU   6  -4.065  -3.546  -3.546
   42   1HD2  LEU   6          2HD2      LEU   6  -5.503  -5.053  -5.053
   43   2HD2  LEU   6          1HD2      LEU   6  -4.002  -4.682  -4.682
   44   3HD2  LEU   6          3HD2      LEU   6  -4.010  -5.835  -5.835
   45    H    LYS   7           H        LYS   7  -4.316   0.469   0.469
   46    HA   LYS   7           HA       LYS   7  -7.128   1.458   1.458
   47   1HB   LYS   7          2HB       LYS   7  -4.548   2.937   2.937
   48   2HB   LYS   7          1HB       LYS   7  -6.150   3.635   3.635
   49   1HG   LYS   7          2HG       LYS   7  -5.476   1.161   1.161
   50   2HG   LYS   7          1HG       LYS   7  -5.034   2.747   2.747
   51   1HD   LYS   7          2HD       LYS   7  -7.566   3.392   3.392
   52   2HD   LYS   7          1HD       LYS   7  -7.834   1.683   1.683
   53   1HE   LYS   7          2HE       LYS   7  -8.324   2.210   2.210
   54   2HE   LYS   7          1HE       LYS   7  -6.878   1.213   1.213
   55   1HZ   LYS   7          1HZ       LYS   7  -6.139   3.930   3.930
   56   2HZ   LYS   7          3HZ       LYS   7  -7.160   3.765   3.765
   57   3HZ   LYS   7          2HZ       LYS   7  -5.749   2.833   2.833
   58    H    VAL   8           H        VAL   8  -4.535   0.824   0.824
   59    HA   VAL   8           HA       VAL   8  -4.977   3.037   3.037
   60    HB   VAL   8           HB       VAL   8  -3.038   0.675   0.675
   61   1HG1  VAL   8          2HG1      VAL   8  -3.613   1.127   1.127
   62   2HG1  VAL   8          1HG1      VAL   8  -2.811   2.686   2.686
   63   3HG1  VAL   8          3HG1      VAL   8  -1.924   1.193   1.193
   64   1HG2  VAL   8          3HG2      VAL   8  -2.608   3.696   3.696
   65   2HG2  VAL   8          2HG2      VAL   8  -2.537   2.598   2.598
   66   3HG2  VAL   8          1HG2      VAL   8  -1.328   2.500   2.500
   67    H    LEU   9           H        LEU   9  -5.131  -0.498  -0.498
   68    HA   LEU   9           HA       LEU   9  -6.492  -0.765  -0.765
   69   1HB   LEU   9          2HB       LEU   9  -6.744  -2.945  -2.945
   70   2HB   LEU   9          1HB       LEU   9  -6.376  -3.050  -3.050
   71    HG   LEU   9           HG       LEU   9  -4.528  -2.169  -2.169
   72   1HD1  LEU   9          3HD1      LEU   9  -4.882  -4.577  -4.577
   73   2HD1  LEU   9          2HD1      LEU   9  -4.399  -4.590  -4.590
   74   3HD1  LEU   9          1HD1      LEU   9  -3.234  -4.168  -4.168
   75   1HD2  LEU   9          2HD2      LEU   9  -4.378  -1.493  -1.493
   76   2HD2  LEU   9          1HD2      LEU   9  -3.214  -1.114  -1.114
   77   3HD2  LEU   9          3HD2      LEU   9  -3.078  -2.609  -2.609
   78    H    THR  10           H        THR  10  -7.635   0.721   0.721
   79    HA   THR  10           HA       THR  10 -10.359  -0.414  -0.414
   80    HB   THR  10           HB       THR  10 -10.057   1.695   1.695
   81    HG1  THR  10           HG1      THR  10  -8.001  -0.202  -0.202
   82   1HG2  THR  10          1HG2      THR  10  -9.883  -1.383  -1.383
   83   2HG2  THR  10          3HG2      THR  10 -10.050  -0.304  -0.304
   84   3HG2  THR  10          2HG2      THR  10 -11.339  -0.425  -0.425
   85    H    THR  11           H        THR  11  -8.368   1.970   1.970
   86    HA   THR  11           HA       THR  11 -10.729   3.621   3.621
   87    HB   THR  11           HB       THR  11  -8.047   4.976   4.976
   88    HG1  THR  11           HG1      THR  11  -8.812   3.746   3.746
   89   1HG2  THR  11          3HG2      THR  11 -10.727   5.662   5.662
   90   2HG2  THR  11          2HG2      THR  11  -9.326   6.710   6.710
   91   3HG2  THR  11          1HG2      THR  11 -10.062   6.359   6.359
   92    H    GLY  12           H        GLY  12  -7.730   2.039   2.039
   93   1HA   GLY  12          2HA       GLY  12  -8.235   1.122   1.122
   94   2HA   GLY  12          1HA       GLY  12  -7.746   2.789   2.789
   95    H    LEU  13           H        LEU  13  -5.790   3.147   3.147
   96    HA   LEU  13           HA       LEU  13  -3.723   1.869   1.869
   97   1HB   LEU  13          2HB       LEU  13  -3.895   1.629   1.629
   98   2HB   LEU  13          1HB       LEU  13  -2.330   1.637   1.637
   99    HG   LEU  13           HG       LEU  13  -3.913  -0.203  -0.203
  100   1HD1  LEU  13          3HD1      LEU  13  -5.369  -0.005  -0.005
  101   2HD1  LEU  13          2HD1      LEU  13  -4.196  -1.199  -1.199
  102   3HD1  LEU  13          1HD1      LEU  13  -5.187  -1.500  -1.500
  103   1HD2  LEU  13          2HD2      LEU  13  -1.873  -0.778  -0.778
  104   2HD2  LEU  13          1HD2      LEU  13  -1.531  -0.473  -0.473
  105   3HD2  LEU  13          3HD2      LEU  13  -2.414  -1.913  -1.913
  106    HA   PRO  14           HA       DPR  14  -2.168   5.796   5.796
  107   1HB   PRO  14          2HB       DPR  14  -3.105   6.868   6.868
  108   2HB   PRO  14          1HB       DPR  14  -4.634   7.144   7.144
  109   1HG   PRO  14          2HG       DPR  14  -3.771   4.699   4.699
  110   2HG   PRO  14          1HG       DPR  14  -5.375   5.416   5.416
  111   1HD   PRO  14          2HD       DPR  14  -4.780   3.190   3.190
  112   2HD   PRO  14          1HD       DPR  14  -5.812   4.441   4.441
  113    H    ALA  15           H        ALA  15  -1.955   6.112   6.112
  114    HA   ALA  15           HA       ALA  15  -3.480   8.492   8.492
  115   1HB   ALA  15          2HB       ALA  15  -1.007   8.728   8.728
  116   2HB   ALA  15          1HB       ALA  15  -0.879   7.336   7.336
  117   3HB   ALA  15          3HB       ALA  15  -1.647   8.806   8.806
  118    H    LEU  16           H        LEU  16  -3.096   5.150   5.150
  119    HA   LEU  16           HA       LEU  16  -3.521   5.088   5.088
  120   1HB   LEU  16          2HB       LEU  16  -3.994   3.275   3.275
  121   2HB   LEU  16          1HB       LEU  16  -5.139   2.987   2.987
  122    HG   LEU  16           HG       LEU  16  -2.278   3.488   3.488
  123   1HD1  LEU  16          2HD1      LEU  16  -1.868   2.098   2.098
  124   2HD1  LEU  16          1HD1      LEU  16  -2.979   0.868   0.868
  125   3HD1  LEU  16          3HD1      LEU  16  -1.508   1.257   1.257
  126   1HD2  LEU  16          3HD2      LEU  16  -4.234   2.911   2.911
  127   2HD2  LEU  16          2HD2      LEU  16  -2.800   1.921   1.921
  128   3HD2  LEU  16          1HD2      LEU  16  -4.193   1.293   1.293
  129    H    ILE  17           H        ILE  17  -6.038   5.716   5.716
  130    HA   ILE  17           HA       ILE  17  -8.253   5.530   5.530
  131    HB   ILE  17           HB       ILE  17  -9.027   7.475   7.475
  132   1HG1  ILE  17          2HG1      ILE  17  -7.948   7.260   7.260
  133   2HG1  ILE  17          1HG1      ILE  17  -6.666   6.282   6.282
  134   1HG2  ILE  17          3HG2      ILE  17  -8.531   4.570   4.570
  135   2HG2  ILE  17          2HG2      ILE  17  -9.516   5.625   5.625
  136   3HG2  ILE  17          1HG2      ILE  17 -10.006   5.284   5.284
  137   1HD1  ILE  17          1HD1      ILE  17  -7.225   8.969   8.969
  138   2HD1  ILE  17          3HD1      ILE  17  -6.433   8.900   8.900
  139   3HD1  ILE  17          2HD1      ILE  17  -5.692   8.115   8.115
  140    H    SER  18           H        SER  18  -5.838   7.981   7.981
  141    HA   SER  18           HA       SER  18  -7.260   9.820   9.820
  142   1HB   SER  18          2HB       SER  18  -5.064  10.154  10.154
  143   2HB   SER  18          1HB       SER  18  -5.123  11.284  11.284
  144    HG   SER  18           HG       SER  18  -6.728  11.227  11.227
  145    H    TRP  19           H        TRP  19  -5.561   7.276   7.276
  146    HA   TRP  19           HA       TRP  19  -3.714   8.196   8.196
  147   1HB   TRP  19          2HB       TRP  19  -3.217   6.581   6.581
  148   2HB   TRP  19          1HB       TRP  19  -3.789   5.313   5.313
  149    HD1  TRP  19           HD1      TRP  19  -0.834   6.076   6.076
  150    HE1  TRP  19           HE1      TRP  19   1.249   5.895   5.895
  151    HE3  TRP  19           HE3      TRP  19  -3.088   6.315   6.315
  152    HZ2  TRP  19           HZ2      TRP  19   1.818   5.866   5.866
  153    HZ3  TRP  19           HZ3      TRP  19  -1.678   6.201   6.201
  154    HH2  TRP  19           HH2      TRP  19   0.771   5.976   5.976
  155    H    ILE  20           H        ILE  20  -5.864   5.378   5.378
  156    HA   ILE  20           HA       ILE  20  -6.285   5.324   5.324
  157    HB   ILE  20           HB       ILE  20  -6.362   3.372   3.372
  158   1HG1  ILE  20          2HG1      ILE  20  -6.290   1.797   1.797
  159   2HG1  ILE  20          1HG1      ILE  20  -6.382   3.207   3.207
  160   1HG2  ILE  20          3HG2      ILE  20  -8.771   3.433   3.433
  161   2HG2  ILE  20          2HG2      ILE  20  -8.315   2.065   2.065
  162   3HG2  ILE  20          1HG2      ILE  20  -8.779   3.592   3.592
  163   1HD1  ILE  20          3HD1      ILE  20  -4.298   4.065   4.065
  164   2HD1  ILE  20          2HD1      ILE  20  -4.169   2.385   2.385
  165   3HD1  ILE  20          1HD1      ILE  20  -4.028   2.825   2.825
  166    H    LYS  21           H        LYS  21  -8.235   5.926   5.926
  167    HA   LYS  21           HA       LYS  21 -10.629   6.158   6.158
  168   1HB   LYS  21          2HB       LYS  21 -10.111   6.139   6.139
  169   2HB   LYS  21          1HB       LYS  21 -10.811   7.702   7.702
  170   1HG   LYS  21          2HG       LYS  21 -12.464   6.041   6.041
  171   2HG   LYS  21          1HG       LYS  21 -12.040   4.976   4.976
  172   1HD   LYS  21          2HD       LYS  21 -13.039   6.386   6.386
  173   2HD   LYS  21          1HD       LYS  21 -12.999   7.793   7.793
  174   1HE   LYS  21          2HE       LYS  21 -14.672   6.656   6.656
  175   2HE   LYS  21          1HE       LYS  21 -14.797   5.342   5.342
  176   1HZ   LYS  21          1HZ       LYS  21 -15.198   7.749   7.749
  177   2HZ   LYS  21          3HZ       LYS  21 -16.106   7.816   7.816
  178   3HZ   LYS  21          2HZ       LYS  21 -16.340   6.528   6.528
  179    H    ARG  22           H        ARG  22  -8.035   8.312   8.312
  180    HA   ARG  22           HA       ARG  22  -9.421  10.752  10.752
  181   1HB   ARG  22          2HB       ARG  22  -7.173  10.386  10.386
  182   2HB   ARG  22          1HB       ARG  22  -6.437  10.131  10.131
  183   1HG   ARG  22          2HG       ARG  22  -6.597  12.414  12.414
  184   2HG   ARG  22          1HG       ARG  22  -8.087  12.659  12.659
  185   1HD   ARG  22          2HD       ARG  22  -6.905  12.722  12.722
  186   2HD   ARG  22          1HD       ARG  22  -5.392  12.231  12.231
  187    HE   ARG  22           HE       ARG  22  -6.739  14.837  14.837
  188   1HH1  ARG  22          2HH1      ARG  22  -4.441  13.712  13.712
  189   2HH1  ARG  22          1HH1      ARG  22  -3.074  14.558  14.558
  190   1HH2  ARG  22          1HH2      ARG  22  -4.982  15.611  15.611
  191   2HH2  ARG  22          2HH2      ARG  22  -3.417  15.729  15.729
  192    H    LYS  23           H        LYS  23  -7.795   8.395   8.395
  193    HA   LYS  23           HA       LYS  23  -8.350  10.024  10.024
  194   1HB   LYS  23          2HB       LYS  23  -7.206   8.165   8.165
  195   2HB   LYS  23          1HB       LYS  23  -6.194   8.914   8.914
  196   1HG   LYS  23          2HG       LYS  23  -6.604   7.092   7.092
  197   2HG   LYS  23          1HG       LYS  23  -7.728   6.318   6.318
  198   1HD   LYS  23          2HD       LYS  23  -5.025   6.833   6.833
  199   2HD   LYS  23          1HD       LYS  23  -4.983   5.821   5.821
  200   1HE   LYS  23          2HE       LYS  23  -5.261   4.282   4.282
  201   2HE   LYS  23          1HE       LYS  23  -6.843   4.392   4.392
  202   1HZ   LYS  23          3HZ       LYS  23  -6.648   6.422   6.422
  203   2HZ   LYS  23          2HZ       LYS  23  -6.148   4.968   4.968
  204   3HZ   LYS  23          1HZ       LYS  23  -7.681   5.082   5.082
  205    H    ARG  24           H        ARG  24  -9.555   6.998   6.998
  206    HA   ARG  24           HA       ARG  24 -11.130   6.204   6.204
  207   1HB   ARG  24          2HB       ARG  24 -10.801   5.273   5.273
  208   2HB   ARG  24          1HB       ARG  24 -12.506   5.631   5.631
  209   1HG   ARG  24          2HG       ARG  24 -12.088   4.280   4.280
  210   2HG   ARG  24          1HG       ARG  24 -10.837   3.557   3.557
  211   1HD   ARG  24          2HD       ARG  24 -12.713   2.156   2.156
  212   2HD   ARG  24          1HD       ARG  24 -12.722   3.163   3.163
  213    HE   ARG  24           HE       ARG  24 -14.475   4.588   4.588
  214   1HH1  ARG  24          1HH2      ARG  24 -14.469   3.751   3.751
  215   2HH1  ARG  24          2HH2      ARG  24 -15.637   2.498   2.498
  216   1HH2  ARG  24          2HH1      ARG  24 -15.631   1.978   1.978
  217   2HH2  ARG  24          1HH1      ARG  24 -16.351   1.404   1.404
  218    H    GLN  25           H        GLN  25 -11.518   8.745   8.745
  219    HA   GLN  25           HA       GLN  25 -14.348   9.205   9.205
  220   1HB   GLN  25          2HB       GLN  25 -12.643  10.534  10.534
  221   2HB   GLN  25          1HB       GLN  25 -14.313  10.954  10.954
  222   1HG   GLN  25          2HG       GLN  25 -14.797   8.383   8.383
  223   2HG   GLN  25          1HG       GLN  25 -13.231   8.375   8.375
  224   1HE2  GLN  25          2HE2      GLN  25 -14.888  11.060  11.060
  225   2HE2  GLN  25          1HE2      GLN  25 -13.813  11.299  11.299
  226    H    GLN  26           H        GLN  26 -11.415   9.932   9.932
  227    HA   GLN  26           HA       GLN  26 -12.245  12.634  12.634
  228   1HB   GLN  26          2HB       GLN  26 -10.013  12.281  12.281
  229   2HB   GLN  26          1HB       GLN  26  -9.374  11.616  11.616
  230   1HG   GLN  26          2HG       GLN  26  -9.974  13.722  13.722
  231   2HG   GLN  26          1HG       GLN  26 -10.600  14.391  14.391
  232   1HE2  GLN  26          2HE2      GLN  26  -7.340  15.795  15.795
  233   2HE2  GLN  26          1HE2      GLN  26  -8.953  16.127  16.127
  234   1HN   NH2  27          1HT       GLN  26 -12.983   9.977   9.977
  235   2HN   NH2  27          2HT       GLN  26 -12.395   9.895   9.895

  Start of MODEL   10
    1   1H    GLY   1          1H        GLY   1   4.204   1.706   1.706
    2   2H    GLY   1          3H        GLY   1   4.612   2.104   2.104
    3   3H    GLY   1          2H        GLY   1   5.586   1.021   1.021
    4   1HA   GLY   1          2HA       GLY   1   4.328  -0.699  -0.699
    5   2HA   GLY   1          1HA       GLY   1   3.308   0.434   0.434
    6    H    ILE   2           H        ILE   2   1.925  -1.615  -1.615
    7    HA   ILE   2           HA       ILE   2   1.107  -0.837  -0.837
    8    HB   ILE   2           HB       ILE   2  -0.655  -2.682  -2.682
    9   1HG1  ILE   2          2HG1      ILE   2   1.259  -3.509  -3.509
   10   2HG1  ILE   2          1HG1      ILE   2  -0.157  -2.525  -2.525
   11   1HG2  ILE   2          2HG2      ILE   2   2.351  -3.181  -3.181
   12   2HG2  ILE   2          1HG2      ILE   2   1.198  -4.493  -4.493
   13   3HG2  ILE   2          3HG2      ILE   2   1.186  -3.211  -3.211
   14   1HD1  ILE   2          1HD1      ILE   2  -0.509  -5.084  -5.084
   15   2HD1  ILE   2          3HD1      ILE   2  -0.331  -5.138  -5.138
   16   3HD1  ILE   2          2HD1      ILE   2  -1.651  -4.235  -4.235
   17    H    GLY   3           H        GLY   3   0.635   1.336   1.336
   18   1HA   GLY   3          2HA       GLY   3  -2.071   1.560   1.560
   19   2HA   GLY   3          1HA       GLY   3  -0.904   2.864   2.864
   20    H    ALA   4           H        ALA   4  -0.313   2.457   2.457
   21    HA   ALA   4           HA       ALA   4  -2.782   3.640   3.640
   22   1HB   ALA   4          2HB       ALA   4   0.144   3.649   3.649
   23   2HB   ALA   4          1HB       ALA   4  -1.200   4.388   4.388
   24   3HB   ALA   4          3HB       ALA   4  -0.703   5.020   5.020
   25    H    VAL   5           H        VAL   5  -0.154   1.465   1.465
   26    HA   VAL   5           HA       VAL   5  -0.480   0.066   0.066
   27    HB   VAL   5           HB       VAL   5  -0.197  -1.465  -1.465
   28   1HG1  VAL   5          3HG1      VAL   5  -0.039  -2.696  -2.696
   29   2HG1  VAL   5          2HG1      VAL   5   1.373  -1.722  -1.722
   30   3HG1  VAL   5          1HG1      VAL   5   1.404  -2.821  -2.821
   31   1HG2  VAL   5          1HG2      VAL   5   1.784   0.487   0.487
   32   2HG2  VAL   5          3HG2      VAL   5   1.245   0.478   0.478
   33   3HG2  VAL   5          2HG2      VAL   5   2.311  -0.777  -0.777
   34    H    LEU   6           H        LEU   6  -2.769  -0.179  -0.179
   35    HA   LEU   6           HA       LEU   6  -4.197  -2.410  -2.410
   36   1HB   LEU   6          2HB       LEU   6  -5.162  -0.921  -0.921
   37   2HB   LEU   6          1HB       LEU   6  -5.561  -2.543  -2.543
   38    HG   LEU   6           HG       LEU   6  -2.774  -1.653  -1.653
   39   1HD1  LEU   6          3HD1      LEU   6  -5.048  -3.098  -3.098
   40   2HD1  LEU   6          2HD1      LEU   6  -3.386  -3.277  -3.277
   41   3HD1  LEU   6          1HD1      LEU   6  -4.132  -1.699  -1.699
   42   1HD2  LEU   6          1HD2      LEU   6  -3.887  -4.373  -4.373
   43   2HD2  LEU   6          3HD2      LEU   6  -2.542  -3.514  -3.514
   44   3HD2  LEU   6          2HD2      LEU   6  -2.383  -4.187  -4.187
   45    H    LYS   7           H        LYS   7  -4.984   0.829   0.829
   46    HA   LYS   7           HA       LYS   7  -7.500   1.263   1.263
   47   1HB   LYS   7          2HB       LYS   7  -5.342   3.397   3.397
   48   2HB   LYS   7          1HB       LYS   7  -7.068   3.611   3.611
   49   1HG   LYS   7          2HG       LYS   7  -6.577   2.002   2.002
   50   2HG   LYS   7          1HG       LYS   7  -4.977   2.694   2.694
   51   1HD   LYS   7          2HD       LYS   7  -6.320   4.998   4.998
   52   2HD   LYS   7          1HD       LYS   7  -7.589   4.059   4.059
   53   1HE   LYS   7          2HE       LYS   7  -5.794   3.329   3.329
   54   2HE   LYS   7          1HE       LYS   7  -4.739   4.522   4.522
   55   1HZ   LYS   7          2HZ       LYS   7  -7.192   5.790   5.790
   56   2HZ   LYS   7          1HZ       LYS   7  -6.712   4.952   4.952
   57   3HZ   LYS   7          3HZ       LYS   7  -5.671   6.071   6.071
   58    H    VAL   8           H        VAL   8  -4.387   1.580   1.580
   59    HA   VAL   8           HA       VAL   8  -4.813   2.656   2.656
   60    HB   VAL   8           HB       VAL   8  -2.929   0.449   0.449
   61   1HG1  VAL   8          2HG1      VAL   8  -2.606   2.061   2.061
   62   2HG1  VAL   8          1HG1      VAL   8  -1.414   0.968   0.968
   63   3HG1  VAL   8          3HG1      VAL   8  -2.941   0.342   0.342
   64   1HG2  VAL   8          3HG2      VAL   8  -2.951   3.032   3.032
   65   2HG2  VAL   8          2HG2      VAL   8  -1.477   2.095   2.095
   66   3HG2  VAL   8          1HG2      VAL   8  -1.911   3.232   3.232
   67    H    LEU   9           H        LEU   9  -5.147  -0.683  -0.683
   68    HA   LEU   9           HA       LEU   9  -6.197  -1.505  -1.505
   69   1HB   LEU   9          2HB       LEU   9  -6.012  -3.314  -3.314
   70   2HB   LEU   9          1HB       LEU   9  -5.829  -3.728  -3.728
   71    HG   LEU   9           HG       LEU   9  -3.830  -1.990  -1.990
   72   1HD1  LEU   9          1HD1      LEU   9  -3.953  -4.214  -4.214
   73   2HD1  LEU   9          3HD1      LEU   9  -3.671  -4.959  -4.959
   74   3HD1  LEU   9          2HD1      LEU   9  -2.420  -3.971  -3.971
   75   1HD2  LEU   9          3HD2      LEU   9  -3.775  -1.752  -1.752
   76   2HD2  LEU   9          2HD2      LEU   9  -2.319  -2.531  -2.531
   77   3HD2  LEU   9          1HD2      LEU   9  -3.580  -3.491  -3.491
   78    H    THR  10           H        THR  10  -7.713   0.150   0.150
   79    HA   THR  10           HA       THR  10 -10.201  -1.517  -1.517
   80    HB   THR  10           HB       THR  10 -10.542   0.184   0.184
   81    HG1  THR  10           HG1      THR  10  -7.878  -0.839  -0.839
   82   1HG2  THR  10          2HG2      THR  10  -9.711  -2.752  -2.752
   83   2HG2  THR  10          1HG2      THR  10  -9.997  -2.015  -2.015
   84   3HG2  THR  10          3HG2      THR  10 -11.301  -2.127  -2.127
   85    H    THR  11           H        THR  11  -9.004   1.845   1.845
   86    HA   THR  11           HA       THR  11 -11.640   2.807   2.807
   87    HB   THR  11           HB       THR  11  -9.075   4.471   4.471
   88    HG1  THR  11           HG1      THR  11 -10.869   4.295   4.295
   89   1HG2  THR  11          3HG2      THR  11 -12.108   5.043   5.043
   90   2HG2  THR  11          2HG2      THR  11 -10.878   6.168   6.168
   91   3HG2  THR  11          1HG2      THR  11 -10.986   5.764   5.764
   92    H    GLY  12           H        GLY  12  -8.364   2.531   2.531
   93   1HA   GLY  12          2HA       GLY  12  -9.465   2.429   2.429
   94   2HA   GLY  12          1HA       GLY  12  -8.463   3.838   3.838
   95    H    LEU  13           H        LEU  13  -6.479   3.594   3.594
   96    HA   LEU  13           HA       LEU  13  -4.733   1.426   1.426
   97   1HB   LEU  13          2HB       LEU  13  -5.987   1.472   1.472
   98   2HB   LEU  13          1HB       LEU  13  -4.229   1.413   1.413
   99    HG   LEU  13           HG       LEU  13  -5.615  -0.458  -0.458
  100   1HD1  LEU  13          3HD1      LEU  13  -5.806  -0.569  -0.569
  101   2HD1  LEU  13          2HD1      LEU  13  -5.447  -2.068  -2.068
  102   3HD1  LEU  13          1HD1      LEU  13  -6.899  -1.173  -1.173
  103   1HD2  LEU  13          1HD2      LEU  13  -3.052  -0.125  -0.125
  104   2HD2  LEU  13          3HD2      LEU  13  -3.653  -1.762  -1.762
  105   3HD2  LEU  13          2HD2      LEU  13  -3.196  -0.936  -0.936
  106    HA   PRO  14           HA       DPR  14  -2.097   4.884   4.884
  107   1HB   PRO  14          2HB       DPR  14  -2.443   6.159   6.159
  108   2HB   PRO  14          1HB       DPR  14  -4.023   6.723   6.723
  109   1HG   PRO  14          2HG       DPR  14  -3.333   4.164   4.164
  110   2HG   PRO  14          1HG       DPR  14  -4.760   5.176   5.176
  111   1HD   PRO  14          2HD       DPR  14  -4.847   2.875   2.875
  112   2HD   PRO  14          1HD       DPR  14  -5.793   4.300   4.300
  113    H    ALA  15           H        ALA  15  -1.840   5.580   5.580
  114    HA   ALA  15           HA       ALA  15  -3.470   7.898   7.898
  115   1HB   ALA  15          3HB       ALA  15  -0.901   8.001   8.001
  116   2HB   ALA  15          2HB       ALA  15  -0.900   6.942   6.942
  117   3HB   ALA  15          1HB       ALA  15  -1.636   8.526   8.526
  118    H    LEU  16           H        LEU  16  -3.296   4.557   4.557
  119    HA   LEU  16           HA       LEU  16  -3.448   4.499   4.499
  120   1HB   LEU  16          2HB       LEU  16  -4.703   2.895   2.895
  121   2HB   LEU  16          1HB       LEU  16  -5.238   2.585   2.585
  122    HG   LEU  16           HG       LEU  16  -3.290   1.181   1.181
  123   1HD1  LEU  16          2HD1      LEU  16  -2.951   2.773   2.773
  124   2HD1  LEU  16          1HD1      LEU  16  -2.140   1.262   1.262
  125   3HD1  LEU  16          3HD1      LEU  16  -3.883   1.299   1.299
  126   1HD2  LEU  16          1HD2      LEU  16  -1.911   2.910   2.910
  127   2HD2  LEU  16          3HD2      LEU  16  -1.013   2.088   2.088
  128   3HD2  LEU  16          2HD2      LEU  16  -1.640   3.692   3.692
  129    H    ILE  17           H        ILE  17  -6.078   5.260   5.260
  130    HA   ILE  17           HA       ILE  17  -8.058   5.442   5.442
  131    HB   ILE  17           HB       ILE  17  -8.921   7.231   7.231
  132   1HG1  ILE  17          2HG1      ILE  17  -8.296   6.466   6.466
  133   2HG1  ILE  17          1HG1      ILE  17  -7.069   5.408   5.408
  134   1HG2  ILE  17          1HG2      ILE  17  -9.978   5.038   5.038
  135   2HG2  ILE  17          3HG2      ILE  17  -8.891   4.220   4.220
  136   3HG2  ILE  17          2HG2      ILE  17 -10.082   5.361   5.361
  137   1HD1  ILE  17          2HD1      ILE  17  -6.997   8.340   8.340
  138   2HD1  ILE  17          1HD1      ILE  17  -6.515   7.841   7.841
  139   3HD1  ILE  17          3HD1      ILE  17  -5.659   7.210   7.210
  140    H    SER  18           H        SER  18  -5.760   7.802   7.802
  141    HA   SER  18           HA       SER  18  -6.691  10.037  10.037
  142   1HB   SER  18          2HB       SER  18  -3.808   9.810   9.810
  143   2HB   SER  18          1HB       SER  18  -4.895  11.194  11.194
  144    HG   SER  18           HG       SER  18  -4.961  10.394  10.394
  145    H    TRP  19           H        TRP  19  -5.205   7.300   7.300
  146    HA   TRP  19           HA       TRP  19  -3.702   8.355   8.355
  147   1HB   TRP  19          2HB       TRP  19  -3.057   6.427   6.427
  148   2HB   TRP  19          1HB       TRP  19  -3.656   5.398   5.398
  149    HD1  TRP  19           HD1      TRP  19  -0.557   6.492   6.492
  150    HE1  TRP  19           HE1      TRP  19   1.330   6.494   6.494
  151    HE3  TRP  19           HE3      TRP  19  -3.312   6.286   6.286
  152    HZ2  TRP  19           HZ2      TRP  19   1.632   6.428   6.428
  153    HZ3  TRP  19           HZ3      TRP  19  -2.109   6.255   6.255
  154    HH2  TRP  19           HH2      TRP  19   0.365   6.326   6.326
  155    H    ILE  20           H        ILE  20  -5.621   5.327   5.327
  156    HA   ILE  20           HA       ILE  20  -6.548   5.697   5.697
  157    HB   ILE  20           HB       ILE  20  -6.281   3.556   3.556
  158   1HG1  ILE  20          2HG1      ILE  20  -5.098   3.802   3.802
  159   2HG1  ILE  20          1HG1      ILE  20  -5.730   2.222   2.222
  160   1HG2  ILE  20          3HG2      ILE  20  -8.833   3.594   3.594
  161   2HG2  ILE  20          2HG2      ILE  20  -8.133   2.153   2.153
  162   3HG2  ILE  20          1HG2      ILE  20  -8.647   3.503   3.503
  163   1HD1  ILE  20          3HD1      ILE  20  -7.434   4.143   4.143
  164   2HD1  ILE  20          2HD1      ILE  20  -6.171   3.186   3.186
  165   3HD1  ILE  20          1HD1      ILE  20  -7.490   2.389   2.389
  166    H    LYS  21           H        LYS  21  -7.960   6.168   6.168
  167    HA   LYS  21           HA       LYS  21 -10.643   6.324   6.324
  168   1HB   LYS  21          2HB       LYS  21  -9.846   5.858   5.858
  169   2HB   LYS  21          1HB       LYS  21 -10.168   7.581   7.581
  170   1HG   LYS  21          2HG       LYS  21 -12.380   6.693   6.693
  171   2HG   LYS  21          1HG       LYS  21 -12.020   5.264   5.264
  172   1HD   LYS  21          2HD       LYS  21 -13.507   6.432   6.432
  173   2HD   LYS  21          1HD       LYS  21 -11.947   6.869   6.869
  174   1HE   LYS  21          2HE       LYS  21 -12.135   8.934   8.934
  175   2HE   LYS  21          1HE       LYS  21 -13.842   8.539   8.539
  176   1HZ   LYS  21          2HZ       LYS  21 -12.966   8.540   8.540
  177   2HZ   LYS  21          1HZ       LYS  21 -12.428   9.974   9.974
  178   3HZ   LYS  21          3HZ       LYS  21 -14.082   9.586   9.586
  179    H    ARG  22           H        ARG  22  -7.953   8.245   8.245
  180    HA   ARG  22           HA       ARG  22  -9.427  10.827  10.827
  181   1HB   ARG  22          2HB       ARG  22  -7.179  10.682  10.682
  182   2HB   ARG  22          1HB       ARG  22  -6.393  10.144  10.144
  183   1HG   ARG  22          2HG       ARG  22  -6.880  12.296  12.296
  184   2HG   ARG  22          1HG       ARG  22  -7.901  12.849  12.849
  185   1HD   ARG  22          2HD       ARG  22  -4.923  12.245  12.245
  186   2HD   ARG  22          1HD       ARG  22  -5.471  13.837  13.837
  187    HE   ARG  22           HE       ARG  22  -6.377  12.526  12.526
  188   1HH1  ARG  22          1HH2      ARG  22  -7.901  14.728  14.728
  189   2HH1  ARG  22          2HH2      ARG  22  -7.056  16.068  16.068
  190   1HH2  ARG  22          2HH1      ARG  22  -3.989  14.267  14.267
  191   2HH2  ARG  22          1HH1      ARG  22  -4.602  15.787  15.787
  192    H    LYS  23           H        LYS  23  -7.021   8.949   8.949
  193    HA   LYS  23           HA       LYS  23  -7.203   9.902   9.902
  194   1HB   LYS  23          2HB       LYS  23  -5.691   8.063   8.063
  195   2HB   LYS  23          1HB       LYS  23  -7.050   6.958   6.958
  196   1HG   LYS  23          2HG       LYS  23  -7.036   7.957   7.957
  197   2HG   LYS  23          1HG       LYS  23  -5.349   8.114   8.114
  198   1HD   LYS  23          2HD       LYS  23  -5.136   5.912   5.912
  199   2HD   LYS  23          1HD       LYS  23  -5.825   5.572   5.572
  200   1HE   LYS  23          2HE       LYS  23  -7.341   4.365   4.365
  201   2HE   LYS  23          1HE       LYS  23  -8.160   5.908   5.908
  202   1HZ   LYS  23          3HZ       LYS  23  -6.264   5.890   5.890
  203   2HZ   LYS  23          2HZ       LYS  23  -7.146   4.450   4.450
  204   3HZ   LYS  23          1HZ       LYS  23  -7.952   5.942   5.942
  205    H    ARG  24           H        ARG  24  -9.156   7.049   7.049
  206    HA   ARG  24           HA       ARG  24 -10.709   6.866   6.866
  207   1HB   ARG  24          2HB       ARG  24 -10.812   5.722   5.722
  208   2HB   ARG  24          1HB       ARG  24 -12.412   6.355   6.355
  209   1HG   ARG  24          2HG       ARG  24 -12.085   5.147   5.147
  210   2HG   ARG  24          1HG       ARG  24 -10.889   4.216   4.216
  211   1HD   ARG  24          2HD       ARG  24 -12.885   2.937   2.937
  212   2HD   ARG  24          1HD       ARG  24 -12.795   3.820   3.820
  213    HE   ARG  24           HE       ARG  24 -14.358   5.530   5.530
  214   1HH1  ARG  24          2HH1      ARG  24 -14.199   4.022   4.022
  215   2HH1  ARG  24          1HH1      ARG  24 -15.688   3.153   3.153
  216   1HH2  ARG  24          1HH2      ARG  24 -16.189   3.782   3.782
  217   2HH2  ARG  24          2HH2      ARG  24 -16.943   3.011   3.011
  218    H    GLN  25           H        GLN  25 -11.028   9.496   9.496
  219    HA   GLN  25           HA       GLN  25 -13.738  10.112  10.112
  220   1HB   GLN  25          2HB       GLN  25 -12.194  11.273  11.273
  221   2HB   GLN  25          1HB       GLN  25 -13.797  11.798  11.798
  222   1HG   GLN  25          2HG       GLN  25 -14.690   9.462   9.462
  223   2HG   GLN  25          1HG       GLN  25 -13.092   8.911   8.911
  224   1HE2  GLN  25          2HE2      GLN  25 -13.230  10.830  10.830
  225   2HE2  GLN  25          1HE2      GLN  25 -12.165  10.480  10.480
  226    H    GLN  26           H        GLN  26 -10.926  10.446  10.446
  227    HA   GLN  26           HA       GLN  26 -11.191  13.262  13.262
  228   1HB   GLN  26          2HB       GLN  26  -9.116  12.396  12.396
  229   2HB   GLN  26          1HB       GLN  26  -8.627  11.637  11.637
  230   1HG   GLN  26          2HG       GLN  26  -8.522  13.821  13.821
  231   2HG   GLN  26          1HG       GLN  26  -9.242  14.623  14.623
  232   1HE2  GLN  26          2HE2      GLN  26  -5.311  13.679  13.679
  233   2HE2  GLN  26          1HE2      GLN  26  -6.278  13.155  13.155
  234   1HN   NH2  27          1HT       GLN  26 -11.432  13.452  13.452
  235   2HN   NH2  27          2HT       GLN  26 -11.279  12.131  12.131

  Start of MODEL   11
    1   1H    GLY   1          1H        GLY   1   6.273   1.992   1.992
    2   2H    GLY   1          3H        GLY   1   6.743   2.115   2.115
    3   3H    GLY   1          2H        GLY   1   7.495   0.980   0.980
    4   1HA   GLY   1          2HA       GLY   1   5.931  -0.546  -0.546
    5   2HA   GLY   1          1HA       GLY   1   5.146   0.643   0.643
    6    H    ILE   2           H        ILE   2   3.416  -0.963  -0.963
    7    HA   ILE   2           HA       ILE   2   2.530   0.759   0.759
    8    HB   ILE   2           HB       ILE   2   1.293  -1.473  -1.473
    9   1HG1  ILE   2          2HG1      ILE   2   2.420  -3.531  -3.531
   10   2HG1  ILE   2          1HG1      ILE   2   3.555  -2.663  -2.663
   11   1HG2  ILE   2          2HG2      ILE   2   4.290  -0.995  -0.995
   12   2HG2  ILE   2          1HG2      ILE   2   3.470  -2.263  -2.263
   13   3HG2  ILE   2          3HG2      ILE   2   3.048  -0.590  -0.590
   14   1HD1  ILE   2          2HD1      ILE   2   0.594  -2.355  -2.355
   15   2HD1  ILE   2          1HD1      ILE   2   1.399  -3.839  -3.839
   16   3HD1  ILE   2          3HD1      ILE   2   1.945  -2.329  -2.329
   17    H    GLY   3           H        GLY   3   1.818  -0.028  -0.028
   18   1HA   GLY   3          2HA       GLY   3  -0.495  -0.534  -0.534
   19   2HA   GLY   3          1HA       GLY   3   0.080   1.075   1.075
   20    H    ALA   4           H        ALA   4  -0.470   2.610   2.610
   21    HA   ALA   4           HA       ALA   4  -3.436   2.474   2.474
   22   1HB   ALA   4          1HB       ALA   4  -1.468   4.748   4.748
   23   2HB   ALA   4          3HB       ALA   4  -3.214   4.857   4.857
   24   3HB   ALA   4          2HB       ALA   4  -2.459   4.608   4.608
   25    H    VAL   5           H        VAL   5  -0.570   2.839   2.839
   26    HA   VAL   5           HA       VAL   5  -1.378   3.175   3.175
   27    HB   VAL   5           HB       VAL   5   0.546   0.889   0.889
   28   1HG1  VAL   5          3HG1      VAL   5   0.149   1.344   1.344
   29   2HG1  VAL   5          2HG1      VAL   5   0.629   3.015   3.015
   30   3HG1  VAL   5          1HG1      VAL   5   1.798   1.726   1.726
   31   1HG2  VAL   5          3HG2      VAL   5   0.980   3.892   3.892
   32   2HG2  VAL   5          2HG2      VAL   5   1.318   2.620   2.620
   33   3HG2  VAL   5          1HG2      VAL   5   2.331   2.803   2.803
   34    H    LEU   6           H        LEU   6  -1.313   0.012   0.012
   35    HA   LEU   6           HA       LEU   6  -2.497  -1.545  -1.545
   36   1HB   LEU   6          2HB       LEU   6  -3.075  -1.841  -1.841
   37   2HB   LEU   6          1HB       LEU   6  -3.283  -3.073  -3.073
   38    HG   LEU   6           HG       LEU   6  -0.671  -1.870  -1.870
   39   1HD1  LEU   6          3HD1      LEU   6  -1.902  -4.660  -4.660
   40   2HD1  LEU   6          2HD1      LEU   6  -0.230  -4.359  -4.359
   41   3HD1  LEU   6          1HD1      LEU   6  -1.509  -3.659  -3.659
   42   1HD2  LEU   6          3HD2      LEU   6  -1.163  -3.684  -3.684
   43   2HD2  LEU   6          2HD2      LEU   6  -0.347  -2.127  -2.127
   44   3HD2  LEU   6          1HD2      LEU   6   0.405  -3.515  -3.515
   45    H    LYS   7           H        LYS   7  -4.192   0.457   0.457
   46    HA   LYS   7           HA       LYS   7  -6.794  -0.515  -0.515
   47   1HB   LYS   7          2HB       LYS   7  -5.750   1.816   1.816
   48   2HB   LYS   7          1HB       LYS   7  -7.391   1.950   1.950
   49   1HG   LYS   7          2HG       LYS   7  -6.343  -0.467  -0.467
   50   2HG   LYS   7          1HG       LYS   7  -7.143   0.895   0.895
   51   1HD   LYS   7          2HD       LYS   7  -9.137  -0.104  -0.104
   52   2HD   LYS   7          1HD       LYS   7  -8.917   0.213   0.213
   53   1HE   LYS   7          2HE       LYS   7  -7.397  -2.131  -2.131
   54   2HE   LYS   7          1HE       LYS   7  -8.691  -2.355  -2.355
   55   1HZ   LYS   7          1HZ       LYS   7  -9.821  -1.413  -1.413
   56   2HZ   LYS   7          3HZ       LYS   7  -8.746  -2.587  -2.587
   57   3HZ   LYS   7          2HZ       LYS   7 -10.001  -2.971  -2.971
   58    H    VAL   8           H        VAL   8  -4.808   2.122   2.122
   59    HA   VAL   8           HA       VAL   8  -6.871   3.366   3.366
   60    HB   VAL   8           HB       VAL   8  -3.980   3.270   3.270
   61   1HG1  VAL   8          3HG1      VAL   8  -5.884   4.736   4.736
   62   2HG1  VAL   8          2HG1      VAL   8  -5.889   5.609   5.609
   63   3HG1  VAL   8          1HG1      VAL   8  -4.459   5.636   5.636
   64   1HG2  VAL   8          2HG2      VAL   8  -4.923   4.584   4.584
   65   2HG2  VAL   8          1HG2      VAL   8  -3.570   3.488   3.488
   66   3HG2  VAL   8          3HG2      VAL   8  -3.477   5.103   5.103
   67    H    LEU   9           H        LEU   9  -4.856   0.582   0.582
   68    HA   LEU   9           HA       LEU   9  -5.568   0.129   0.129
   69   1HB   LEU   9          2HB       LEU   9  -4.786  -2.176  -2.176
   70   2HB   LEU   9          1HB       LEU   9  -4.250  -1.794  -1.794
   71    HG   LEU   9           HG       LEU   9  -3.347  -0.351  -0.351
   72   1HD1  LEU   9          3HD1      LEU   9  -2.567  -2.701  -2.701
   73   2HD1  LEU   9          2HD1      LEU   9  -1.789  -2.262  -2.262
   74   3HD1  LEU   9          1HD1      LEU   9  -1.269  -1.517  -1.517
   75   1HD2  LEU   9          2HD2      LEU   9  -2.400  -0.053  -0.053
   76   2HD2  LEU   9          1HD2      LEU   9  -3.322   1.120   1.120
   77   3HD2  LEU   9          3HD2      LEU   9  -1.682   0.732   0.732
   78    H    THR  10           H        THR  10  -7.391   0.039   0.039
   79    HA   THR  10           HA       THR  10  -9.047  -2.268  -2.268
   80    HB   THR  10           HB       THR  10  -9.747  -0.571  -0.571
   81    HG1  THR  10           HG1      THR  10  -7.438  -1.741  -1.741
   82   1HG2  THR  10          1HG2      THR  10 -10.938  -2.802  -2.802
   83   2HG2  THR  10          3HG2      THR  10  -9.778  -3.611  -3.611
   84   3HG2  THR  10          2HG2      THR  10 -10.978  -2.513  -2.513
   85    H    THR  11           H        THR  11  -8.711   1.068   1.068
   86    HA   THR  11           HA       THR  11 -11.616   1.406   1.406
   87    HB   THR  11           HB       THR  11  -9.541   3.672   3.672
   88    HG1  THR  11           HG1      THR  11 -11.138   3.083   3.083
   89   1HG2  THR  11          3HG2      THR  11 -12.556   3.480   3.480
   90   2HG2  THR  11          2HG2      THR  11 -11.568   4.934   4.934
   91   3HG2  THR  11          1HG2      THR  11 -11.893   4.212   4.212
   92    H    GLY  12           H        GLY  12  -8.267   1.962   1.962
   93   1HA   GLY  12          2HA       GLY  12  -9.449   1.494   1.494
   94   2HA   GLY  12          1HA       GLY  12  -8.514   2.979   2.979
   95    H    LEU  13           H        LEU  13  -6.753   2.614   2.614
   96    HA   LEU  13           HA       LEU  13  -4.859   0.561   0.561
   97   1HB   LEU  13          2HB       LEU  13  -6.045   0.647   0.647
   98   2HB   LEU  13          1HB       LEU  13  -4.337   0.308   0.308
   99    HG   LEU  13           HG       LEU  13  -5.715  -1.365  -1.365
  100   1HD1  LEU  13          3HD1      LEU  13  -7.021  -1.155  -1.155
  101   2HD1  LEU  13          2HD1      LEU  13  -6.890  -2.728  -2.728
  102   3HD1  LEU  13          1HD1      LEU  13  -7.730  -1.436  -1.436
  103   1HD2  LEU  13          1HD2      LEU  13  -3.478  -1.772  -1.772
  104   2HD2  LEU  13          3HD2      LEU  13  -4.569  -3.141  -3.141
  105   3HD2  LEU  13          2HD2      LEU  13  -4.366  -2.158  -2.158
  106    HA   PRO  14           HA       DPR  14  -1.875   3.587   3.587
  107   1HB   PRO  14          2HB       DPR  14  -1.961   4.953   4.953
  108   2HB   PRO  14          1HB       DPR  14  -3.567   5.575   5.575
  109   1HG   PRO  14          2HG       DPR  14  -2.815   2.886   2.886
  110   2HG   PRO  14          1HG       DPR  14  -4.082   3.984   3.984
  111   1HD   PRO  14          2HD       DPR  14  -4.731   1.893   1.893
  112   2HD   PRO  14          1HD       DPR  14  -5.506   3.455   3.455
  113    H    ALA  15           H        ALA  15  -2.031   3.947   3.947
  114    HA   ALA  15           HA       ALA  15  -2.761   6.775   6.775
  115   1HB   ALA  15          2HB       ALA  15  -0.965   4.851   4.851
  116   2HB   ALA  15          1HB       ALA  15  -1.270   6.525   6.525
  117   3HB   ALA  15          3HB       ALA  15  -0.440   6.159   6.159
  118    H    LEU  16           H        LEU  16  -3.783   3.573   3.573
  119    HA   LEU  16           HA       LEU  16  -4.750   3.744   3.744
  120   1HB   LEU  16          2HB       LEU  16  -5.672   2.391   2.391
  121   2HB   LEU  16          1HB       LEU  16  -6.763   2.347   2.347
  122    HG   LEU  16           HG       LEU  16  -5.056   0.413   0.413
  123   1HD1  LEU  16          3HD1      LEU  16  -6.405   0.837   0.837
  124   2HD1  LEU  16          2HD1      LEU  16  -5.165   1.933   1.933
  125   3HD1  LEU  16          1HD1      LEU  16  -4.817   0.226   0.226
  126   1HD2  LEU  16          1HD2      LEU  16  -3.028   1.782   1.782
  127   2HD2  LEU  16          3HD2      LEU  16  -2.829   0.711   0.711
  128   3HD2  LEU  16          2HD2      LEU  16  -3.096   2.415   2.415
  129    H    ILE  17           H        ILE  17  -6.440   4.985   4.985
  130    HA   ILE  17           HA       ILE  17  -8.757   5.808   5.808
  131    HB   ILE  17           HB       ILE  17  -8.527   7.652   7.652
  132   1HG1  ILE  17          2HG1      ILE  17  -7.514   6.603   6.603
  133   2HG1  ILE  17          1HG1      ILE  17  -6.953   5.246   5.246
  134   1HG2  ILE  17          2HG2      ILE  17  -9.385   4.757   4.757
  135   2HG2  ILE  17          1HG2      ILE  17  -9.712   5.926   5.926
  136   3HG2  ILE  17          3HG2      ILE  17 -10.395   6.168   6.168
  137   1HD1  ILE  17          2HD1      ILE  17  -6.148   8.002   8.002
  138   2HD1  ILE  17          1HD1      ILE  17  -5.440   7.398   7.398
  139   3HD1  ILE  17          3HD1      ILE  17  -5.237   6.496   6.496
  140    H    SER  18           H        SER  18  -5.625   7.118   7.118
  141    HA   SER  18           HA       SER  18  -6.416   9.639   9.639
  142   1HB   SER  18          2HB       SER  18  -3.830   8.735   8.735
  143   2HB   SER  18          1HB       SER  18  -4.031  10.300  10.300
  144    HG   SER  18           HG       SER  18  -6.196   9.904   9.904
  145    H    TRP  19           H        TRP  19  -5.776   6.668   6.668
  146    HA   TRP  19           HA       TRP  19  -4.013   7.424   7.424
  147   1HB   TRP  19          2HB       TRP  19  -3.841   5.246   5.246
  148   2HB   TRP  19          1HB       TRP  19  -4.888   4.549   4.549
  149    HD1  TRP  19           HD1      TRP  19  -1.537   4.267   4.267
  150    HE1  TRP  19           HE1      TRP  19   0.065   3.978   3.978
  151    HE3  TRP  19           HE3      TRP  19  -4.475   5.994   5.994
  152    HZ2  TRP  19           HZ2      TRP  19   0.139   4.388   4.388
  153    HZ3  TRP  19           HZ3      TRP  19  -3.494   6.020   6.020
  154    HH2  TRP  19           HH2      TRP  19  -1.198   5.213   5.213
  155    H    ILE  20           H        ILE  20  -6.891   5.233   5.233
  156    HA   ILE  20           HA       ILE  20  -7.549   6.040   6.040
  157    HB   ILE  20           HB       ILE  20  -8.062   3.745   3.745
  158   1HG1  ILE  20          2HG1      ILE  20  -8.496   2.637   2.637
  159   2HG1  ILE  20          1HG1      ILE  20  -8.206   4.196   4.196
  160   1HG2  ILE  20          2HG2      ILE  20 -10.380   4.885   4.885
  161   2HG2  ILE  20          1HG2      ILE  20 -10.325   3.231   3.231
  162   3HG2  ILE  20          3HG2      ILE  20 -10.288   4.586   4.586
  163   1HD1  ILE  20          1HD1      ILE  20  -5.908   4.213   4.213
  164   2HD1  ILE  20          3HD1      ILE  20  -6.264   2.637   2.637
  165   3HD1  ILE  20          2HD1      ILE  20  -6.119   2.832   2.832
  166    H    LYS  21           H        LYS  21  -8.859   6.545   6.545
  167    HA   LYS  21           HA       LYS  21 -11.285   7.724   7.724
  168   1HB   LYS  21          2HB       LYS  21 -10.126   8.582   8.582
  169   2HB   LYS  21          1HB       LYS  21 -11.793   8.350   8.350
  170   1HG   LYS  21          2HG       LYS  21 -10.936   5.776   5.776
  171   2HG   LYS  21          1HG       LYS  21  -9.724   6.284   6.284
  172   1HD   LYS  21          2HD       LYS  21 -11.350   5.519   5.519
  173   2HD   LYS  21          1HD       LYS  21 -11.831   7.206   7.206
  174   1HE   LYS  21          2HE       LYS  21 -13.298   6.428   6.428
  175   2HE   LYS  21          1HE       LYS  21 -13.007   4.794   4.794
  176   1HZ   LYS  21          1HZ       LYS  21 -13.830   6.425   6.425
  177   2HZ   LYS  21          3HZ       LYS  21 -14.923   6.603   6.603
  178   3HZ   LYS  21          2HZ       LYS  21 -14.607   5.068   5.068
  179    H    ARG  22           H        ARG  22  -8.079   8.619   8.619
  180    HA   ARG  22           HA       ARG  22  -8.540  11.518  11.518
  181   1HB   ARG  22          2HB       ARG  22  -6.700  10.350  10.350
  182   2HB   ARG  22          1HB       ARG  22  -5.863  10.015  10.015
  183   1HG   ARG  22          2HG       ARG  22  -5.251  12.212  12.212
  184   2HG   ARG  22          1HG       ARG  22  -6.762  12.865  12.865
  185   1HD   ARG  22          2HD       ARG  22  -5.897  11.998  11.998
  186   2HD   ARG  22          1HD       ARG  22  -4.317  12.004  12.004
  187    HE   ARG  22           HE       ARG  22  -6.104  14.422  14.422
  188   1HH1  ARG  22          1HH2      ARG  22  -3.802  14.771  14.771
  189   2HH1  ARG  22          2HH2      ARG  22  -2.572  15.399  15.399
  190   1HH2  ARG  22          2HH1      ARG  22  -4.351  14.220  14.220
  191   2HH2  ARG  22          1HH1      ARG  22  -2.910  15.053  15.053
  192    H    LYS  23           H        LYS  23  -6.527   9.151   9.151
  193    HA   LYS  23           HA       LYS  23  -6.272  10.439  10.439
  194   1HB   LYS  23          2HB       LYS  23  -5.076   8.332   8.332
  195   2HB   LYS  23          1HB       LYS  23  -6.569   7.440   7.440
  196   1HG   LYS  23          2HG       LYS  23  -5.856   8.986   8.986
  197   2HG   LYS  23          1HG       LYS  23  -4.641   7.806   7.806
  198   1HD   LYS  23          2HD       LYS  23  -7.624   7.145   7.145
  199   2HD   LYS  23          1HD       LYS  23  -6.569   7.059   7.059
  200   1HE   LYS  23          2HE       LYS  23  -5.082   5.415   5.415
  201   2HE   LYS  23          1HE       LYS  23  -6.266   5.425   5.425
  202   1HZ   LYS  23          2HZ       LYS  23  -7.637   4.979   4.979
  203   2HZ   LYS  23          1HZ       LYS  23  -6.317   3.935   3.935
  204   3HZ   LYS  23          3HZ       LYS  23  -7.431   3.889   3.889
  205    H    ARG  24           H        ARG  24  -8.927   8.397   8.397
  206    HA   ARG  24           HA       ARG  24 -10.405   9.065   9.065
  207   1HB   ARG  24          2HB       ARG  24 -10.200   6.691   6.691
  208   2HB   ARG  24          1HB       ARG  24 -11.836   7.252   7.252
  209   1HG   ARG  24          2HG       ARG  24 -11.391   7.469   7.469
  210   2HG   ARG  24          1HG       ARG  24 -10.397   6.098   6.098
  211   1HD   ARG  24          2HD       ARG  24 -12.644   5.302   5.302
  212   2HD   ARG  24          1HD       ARG  24 -12.386   5.084   5.084
  213    HE   ARG  24           HE       ARG  24 -13.905   7.418   7.418
  214   1HH1  ARG  24          1HH2      ARG  24 -13.888   8.356   8.356
  215   2HH1  ARG  24          2HH2      ARG  24 -14.916   7.442   7.442
  216   1HH2  ARG  24          2HH1      ARG  24 -14.910   4.736   4.736
  217   2HH2  ARG  24          1HH1      ARG  24 -15.549   5.209   5.209
  218    H    GLN  25           H        GLN  25  -9.971  11.134  11.134
  219    HA   GLN  25           HA       GLN  25 -12.623  11.507  11.507
  220   1HB   GLN  25          2HB       GLN  25 -11.602  13.118  13.118
  221   2HB   GLN  25          1HB       GLN  25 -10.282  12.016  12.016
  222   1HG   GLN  25          2HG       GLN  25  -9.418  13.532  13.532
  223   2HG   GLN  25          1HG       GLN  25 -10.675  14.675  14.675
  224   1HE2  GLN  25          2HE2      GLN  25  -7.998  16.000  16.000
  225   2HE2  GLN  25          1HE2      GLN  25  -8.711  16.100  16.100
  226    H    GLN  26           H        GLN  26 -10.720  12.646  12.646
  227    HA   GLN  26           HA       GLN  26 -12.680  14.831  14.831
  228   1HB   GLN  26          2HB       GLN  26 -10.011  15.100  15.100
  229   2HB   GLN  26          1HB       GLN  26 -10.060  14.511  14.511
  230   1HG   GLN  26          2HG       GLN  26 -12.090  16.578  16.578
  231   2HG   GLN  26          1HG       GLN  26 -10.622  17.193  17.193
  232   1HE2  GLN  26          2HE2      GLN  26 -10.524  16.151  16.151
  233   2HE2  GLN  26          1HE2      GLN  26 -11.662  15.405  15.405
  234   1HN   NH2  27          1HT       GLN  26 -12.488  11.720  11.720
  235   2HN   NH2  27          2HT       GLN  26 -13.037  11.841  11.841

  Start of MODEL   12
    1   1H    GLY   1          2H        GLY   1   4.729  -1.341  -1.341
    2   2H    GLY   1          1H        GLY   1   5.262  -0.780  -0.780
    3   3H    GLY   1          3H        GLY   1   5.972  -2.166  -2.166
    4   1HA   GLY   1          2HA       GLY   1   4.414  -3.474  -3.474
    5   2HA   GLY   1          1HA       GLY   1   3.693  -2.023  -2.023
    6    H    ILE   2           H        ILE   2   1.790  -3.739  -3.739
    7    HA   ILE   2           HA       ILE   2   0.927  -2.845  -2.845
    8    HB   ILE   2           HB       ILE   2  -0.688  -4.954  -4.954
    9   1HG1  ILE   2          2HG1      ILE   2   1.752  -5.926  -5.926
   10   2HG1  ILE   2          1HG1      ILE   2   0.336  -5.320  -5.320
   11   1HG2  ILE   2          3HG2      ILE   2   2.267  -5.100  -5.100
   12   2HG2  ILE   2          2HG2      ILE   2   1.091  -6.341  -6.341
   13   3HG2  ILE   2          1HG2      ILE   2   0.929  -4.741  -4.741
   14   1HD1  ILE   2          3HD1      ILE   2  -0.110  -7.421  -7.421
   15   2HD1  ILE   2          2HD1      ILE   2   0.538  -7.908  -7.908
   16   3HD1  ILE   2          1HD1      ILE   2  -1.012  -7.089  -7.089
   17    H    GLY   3           H        GLY   3  -0.244  -3.445  -3.445
   18   1HA   GLY   3          2HA       GLY   3  -2.750  -3.090  -3.090
   19   2HA   GLY   3          1HA       GLY   3  -1.697  -1.967  -1.967
   20    H    ALA   4           H        ALA   4  -1.121  -0.043  -0.043
   21    HA   ALA   4           HA       ALA   4  -3.750   1.158   1.158
   22   1HB   ALA   4          1HB       ALA   4  -0.953   2.368   2.368
   23   2HB   ALA   4          3HB       ALA   4  -2.396   3.265   3.265
   24   3HB   ALA   4          2HB       ALA   4  -2.261   2.555   2.555
   25    H    VAL   5           H        VAL   5  -0.960  -0.071  -0.071
   26    HA   VAL   5           HA       VAL   5  -1.238   1.293   1.293
   27    HB   VAL   5           HB       VAL   5  -0.371  -1.630  -1.630
   28   1HG1  VAL   5          3HG1      VAL   5  -0.786  -0.602  -0.602
   29   2HG1  VAL   5          2HG1      VAL   5   0.698   0.280   0.280
   30   3HG1  VAL   5          1HG1      VAL   5   0.702  -1.473  -1.473
   31   1HG2  VAL   5          2HG2      VAL   5   1.218   0.960   0.960
   32   2HG2  VAL   5          1HG2      VAL   5   1.021  -0.315  -0.315
   33   3HG2  VAL   5          3HG2      VAL   5   1.991  -0.598  -0.598
   34    H    LEU   6           H        LEU   6  -2.534  -1.694  -1.694
   35    HA   LEU   6           HA       LEU   6  -4.093  -2.736  -2.736
   36   1HB   LEU   6          2HB       LEU   6  -4.967  -2.311  -2.311
   37   2HB   LEU   6          1HB       LEU   6  -5.743  -3.424  -3.424
   38    HG   LEU   6           HG       LEU   6  -2.737  -3.634  -3.634
   39   1HD1  LEU   6          3HD1      LEU   6  -3.981  -3.675  -3.675
   40   2HD1  LEU   6          2HD1      LEU   6  -4.900  -5.043  -5.043
   41   3HD1  LEU   6          1HD1      LEU   6  -3.165  -5.175  -5.175
   42   1HD2  LEU   6          1HD2      LEU   6  -3.883  -4.918  -4.918
   43   2HD2  LEU   6          3HD2      LEU   6  -3.055  -5.918  -5.918
   44   3HD2  LEU   6          2HD2      LEU   6  -4.800  -5.768  -5.768
   45    H    LYS   7           H        LYS   7  -5.297  -0.331  -0.331
   46    HA   LYS   7           HA       LYS   7  -7.769   0.309   0.309
   47   1HB   LYS   7          2HB       LYS   7  -5.683   1.836   1.836
   48   2HB   LYS   7          1HB       LYS   7  -6.841   2.839   2.839
   49   1HG   LYS   7          2HG       LYS   7  -8.722   1.884   1.884
   50   2HG   LYS   7          1HG       LYS   7  -7.796   0.509   0.509
   51   1HD   LYS   7          2HD       LYS   7  -8.114   1.930   1.930
   52   2HD   LYS   7          1HD       LYS   7  -6.417   2.026   2.026
   53   1HE   LYS   7          2HE       LYS   7  -6.738   4.209   4.209
   54   2HE   LYS   7          1HE       LYS   7  -8.486   4.076   4.076
   55   1HZ   LYS   7          1HZ       LYS   7  -7.423   3.794   3.794
   56   2HZ   LYS   7          3HZ       LYS   7  -6.716   5.153   5.153
   57   3HZ   LYS   7          2HZ       LYS   7  -8.401   5.034   5.034
   58    H    VAL   8           H        VAL   8  -4.733   1.770   1.770
   59    HA   VAL   8           HA       VAL   8  -5.505   3.506   3.506
   60    HB   VAL   8           HB       VAL   8  -3.065   1.650   1.650
   61   1HG1  VAL   8          2HG1      VAL   8  -3.443   3.133   3.133
   62   2HG1  VAL   8          1HG1      VAL   8  -3.469   4.520   4.520
   63   3HG1  VAL   8          3HG1      VAL   8  -1.992   3.582   3.582
   64   1HG2  VAL   8          3HG2      VAL   8  -3.505   4.097   4.097
   65   2HG2  VAL   8          2HG2      VAL   8  -3.007   2.502   2.502
   66   3HG2  VAL   8          1HG2      VAL   8  -1.906   3.497   3.497
   67    H    LEU   9           H        LEU   9  -4.602   0.191   0.191
   68    HA   LEU   9           HA       LEU   9  -5.389  -0.184  -0.184
   69   1HB   LEU   9          2HB       LEU   9  -5.437  -2.517  -2.517
   70   2HB   LEU   9          1HB       LEU   9  -4.829  -2.452  -2.452
   71    HG   LEU   9           HG       LEU   9  -3.424  -1.121  -1.121
   72   1HD1  LEU   9          1HD1      LEU   9  -3.654  -3.662  -3.662
   73   2HD1  LEU   9          3HD1      LEU   9  -2.653  -3.734  -3.734
   74   3HD1  LEU   9          2HD1      LEU   9  -2.027  -3.016  -3.016
   75   1HD2  LEU   9          3HD2      LEU   9  -2.696  -1.590  -1.590
   76   2HD2  LEU   9          2HD2      LEU   9  -2.602  -0.102  -0.102
   77   3HD2  LEU   9          1HD2      LEU   9  -1.452  -1.389  -1.389
   78    H    THR  10           H        THR  10  -7.270  -0.137  -0.137
   79    HA   THR  10           HA       THR  10  -9.477  -1.625  -1.625
   80    HB   THR  10           HB       THR  10 -10.433  -0.629  -0.629
   81    HG1  THR  10           HG1      THR  10  -7.701  -1.472  -1.472
   82   1HG2  THR  10          1HG2      THR  10  -9.228  -3.344  -3.344
   83   2HG2  THR  10          3HG2      THR  10 -10.135  -3.041  -3.041
   84   3HG2  THR  10          2HG2      THR  10 -10.928  -2.908  -2.908
   85    H    THR  11           H        THR  11  -8.234   1.377   1.377
   86    HA   THR  11           HA       THR  11 -10.919   2.697   2.697
   87    HB   THR  11           HB       THR  11  -8.306   4.303   4.303
   88    HG1  THR  11           HG1      THR  11  -8.684   2.660   2.660
   89   1HG2  THR  11          3HG2      THR  11 -11.052   4.779   4.779
   90   2HG2  THR  11          2HG2      THR  11  -9.749   5.946   5.946
   91   3HG2  THR  11          1HG2      THR  11 -10.570   5.436   5.436
   92    H    GLY  12           H        GLY  12  -7.588   2.844   2.844
   93   1HA   GLY  12          2HA       GLY  12  -8.778   2.412   2.412
   94   2HA   GLY  12          1HA       GLY  12  -7.928   3.945   3.945
   95    H    LEU  13           H        LEU  13  -6.060   3.762   3.762
   96    HA   LEU  13           HA       LEU  13  -4.068   1.817   1.817
   97   1HB   LEU  13          2HB       LEU  13  -5.407   1.620   1.620
   98   2HB   LEU  13          1HB       LEU  13  -3.658   1.645   1.645
   99    HG   LEU  13           HG       LEU  13  -5.196  -0.269  -0.269
  100   1HD1  LEU  13          3HD1      LEU  13  -5.579  -0.543  -0.543
  101   2HD1  LEU  13          2HD1      LEU  13  -3.851  -0.818  -0.818
  102   3HD1  LEU  13          1HD1      LEU  13  -4.827  -1.921  -1.921
  103   1HD2  LEU  13          1HD2      LEU  13  -2.270   0.250   0.250
  104   2HD2  LEU  13          3HD2      LEU  13  -3.035  -0.245  -0.245
  105   3HD2  LEU  13          2HD2      LEU  13  -2.780  -1.409  -1.409
  106    HA   PRO  14           HA       DPR  14  -1.544   5.377   5.377
  107   1HB   PRO  14          2HB       DPR  14  -1.937   6.887   6.887
  108   2HB   PRO  14          1HB       DPR  14  -3.609   7.185   7.185
  109   1HG   PRO  14          2HG       DPR  14  -2.479   4.815   4.815
  110   2HG   PRO  14          1HG       DPR  14  -3.945   5.725   5.725
  111   1HD   PRO  14          2HD       DPR  14  -4.150   3.380   3.380
  112   2HD   PRO  14          1HD       DPR  14  -5.150   4.753   4.753
  113    H    ALA  15           H        ALA  15  -1.492   5.683   5.683
  114    HA   ALA  15           HA       ALA  15  -2.988   8.088   8.088
  115   1HB   ALA  15          3HB       ALA  15  -0.432   7.957   7.957
  116   2HB   ALA  15          2HB       ALA  15  -0.673   6.809   6.809
  117   3HB   ALA  15          1HB       ALA  15  -1.286   8.445   8.445
  118    H    LEU  16           H        LEU  16  -3.100   4.658   4.658
  119    HA   LEU  16           HA       LEU  16  -3.670   4.444   4.444
  120   1HB   LEU  16          2HB       LEU  16  -4.593   3.072   3.072
  121   2HB   LEU  16          1HB       LEU  16  -5.535   2.742   2.742
  122    HG   LEU  16           HG       LEU  16  -3.517   1.220   1.220
  123   1HD1  LEU  16          1HD1      LEU  16  -4.016   2.531   2.531
  124   2HD1  LEU  16          3HD1      LEU  16  -2.946   1.155   1.155
  125   3HD1  LEU  16          2HD1      LEU  16  -4.635   0.996   0.996
  126   1HD2  LEU  16          3HD2      LEU  16  -1.857   3.085   3.085
  127   2HD2  LEU  16          2HD2      LEU  16  -1.320   1.839   1.839
  128   3HD2  LEU  16          1HD2      LEU  16  -1.840   3.381   3.381
  129    H    ILE  17           H        ILE  17  -5.881   5.443   5.443
  130    HA   ILE  17           HA       ILE  17  -8.214   5.706   5.706
  131    HB   ILE  17           HB       ILE  17  -8.578   7.585   7.585
  132   1HG1  ILE  17          2HG1      ILE  17  -7.325   7.055   7.055
  133   2HG1  ILE  17          1HG1      ILE  17  -6.201   6.063   6.063
  134   1HG2  ILE  17          3HG2      ILE  17  -8.382   4.592   4.592
  135   2HG2  ILE  17          2HG2      ILE  17  -9.066   5.683   5.683
  136   3HG2  ILE  17          1HG2      ILE  17  -9.820   5.547   5.547
  137   1HD1  ILE  17          1HD1      ILE  17  -6.655   8.870   8.870
  138   2HD1  ILE  17          3HD1      ILE  17  -5.774   8.643   8.643
  139   3HD1  ILE  17          2HD1      ILE  17  -5.178   7.909   7.909
  140    H    SER  18           H        SER  18  -5.459   7.797   7.797
  141    HA   SER  18           HA       SER  18  -6.829   9.833   9.833
  142   1HB   SER  18          2HB       SER  18  -4.621   9.945   9.945
  143   2HB   SER  18          1HB       SER  18  -4.371  10.974  10.974
  144    HG   SER  18           HG       SER  18  -6.224  11.220  11.220
  145    H    TRP  19           H        TRP  19  -5.357   7.185   7.185
  146    HA   TRP  19           HA       TRP  19  -3.601   8.082   8.082
  147   1HB   TRP  19          2HB       TRP  19  -3.047   6.209   6.209
  148   2HB   TRP  19          1HB       TRP  19  -3.868   5.128   5.128
  149    HD1  TRP  19           HD1      TRP  19  -0.592   5.703   5.703
  150    HE1  TRP  19           HE1      TRP  19   1.173   5.318   5.318
  151    HE3  TRP  19           HE3      TRP  19  -3.575   5.953   5.953
  152    HZ2  TRP  19           HZ2      TRP  19   1.295   5.165   5.165
  153    HZ3  TRP  19           HZ3      TRP  19  -2.515   5.666   5.666
  154    HH2  TRP  19           HH2      TRP  19  -0.085   5.273   5.273
  155    H    ILE  20           H        ILE  20  -5.835   5.291   5.291
  156    HA   ILE  20           HA       ILE  20  -6.597   5.753   5.753
  157    HB   ILE  20           HB       ILE  20  -6.438   3.421   3.421
  158   1HG1  ILE  20          2HG1      ILE  20  -6.951   2.318   2.318
  159   2HG1  ILE  20          1HG1      ILE  20  -6.964   3.949   3.949
  160   1HG2  ILE  20          1HG2      ILE  20  -9.126   3.860   3.860
  161   2HG2  ILE  20          3HG2      ILE  20  -8.573   2.336   2.336
  162   3HG2  ILE  20          2HG2      ILE  20  -8.839   3.729   3.729
  163   1HD1  ILE  20          1HD1      ILE  20  -4.599   4.012   4.012
  164   2HD1  ILE  20          3HD1      ILE  20  -4.686   2.308   2.308
  165   3HD1  ILE  20          2HD1      ILE  20  -4.694   3.489   3.489
  166    H    LYS  21           H        LYS  21  -8.088   5.821   5.821
  167    HA   LYS  21           HA       LYS  21 -10.722   6.338   6.338
  168   1HB   LYS  21          2HB       LYS  21  -9.512   6.183   6.183
  169   2HB   LYS  21          1HB       LYS  21 -10.382   7.696   7.696
  170   1HG   LYS  21          2HG       LYS  21 -12.157   6.388   6.388
  171   2HG   LYS  21          1HG       LYS  21 -12.312   6.141   6.141
  172   1HD   LYS  21          2HD       LYS  21 -12.363   3.935   3.935
  173   2HD   LYS  21          1HD       LYS  21 -10.683   4.095   4.095
  174   1HE   LYS  21          2HE       LYS  21  -9.990   3.734   3.734
  175   2HE   LYS  21          1HE       LYS  21 -10.967   5.060   5.060
  176   1HZ   LYS  21          2HZ       LYS  21 -12.664   2.847   2.847
  177   2HZ   LYS  21          1HZ       LYS  21 -11.369   2.310   2.310
  178   3HZ   LYS  21          3HZ       LYS  21 -12.333   3.572   3.572
  179    H    ARG  22           H        ARG  22  -7.884   8.336   8.336
  180    HA   ARG  22           HA       ARG  22  -9.437  10.828  10.828
  181   1HB   ARG  22          2HB       ARG  22  -7.208  10.559  10.559
  182   2HB   ARG  22          1HB       ARG  22  -6.429  10.402  10.402
  183   1HG   ARG  22          2HG       ARG  22  -6.651  12.689  12.689
  184   2HG   ARG  22          1HG       ARG  22  -8.287  12.758  12.758
  185   1HD   ARG  22          2HD       ARG  22  -7.432  14.004  14.004
  186   2HD   ARG  22          1HD       ARG  22  -6.951  12.471  12.471
  187    HE   ARG  22           HE       ARG  22  -4.735  12.768  12.768
  188   1HH1  ARG  22          1HH2      ARG  22  -5.798  15.108  15.108
  189   2HH1  ARG  22          2HH2      ARG  22  -5.094  16.488  16.488
  190   1HH2  ARG  22          2HH1      ARG  22  -4.265  14.421  14.421
  191   2HH2  ARG  22          1HH1      ARG  22  -4.108  16.039  16.039
  192    H    LYS  23           H        LYS  23  -8.295   8.420   8.420
  193    HA   LYS  23           HA       LYS  23  -8.163  10.117  10.117
  194   1HB   LYS  23          2HB       LYS  23  -6.534   8.226   8.226
  195   2HB   LYS  23          1HB       LYS  23  -7.846   7.091   7.091
  196   1HG   LYS  23          2HG       LYS  23  -7.316   8.910   8.910
  197   2HG   LYS  23          1HG       LYS  23  -6.356   7.470   7.470
  198   1HD   LYS  23          2HD       LYS  23  -9.407   7.558   7.558
  199   2HD   LYS  23          1HD       LYS  23  -8.298   7.119   7.119
  200   1HE   LYS  23          2HE       LYS  23  -7.908   5.494   5.494
  201   2HE   LYS  23          1HE       LYS  23  -9.528   5.351   5.351
  202   1HZ   LYS  23          1HZ       LYS  23  -7.662   5.169   5.169
  203   2HZ   LYS  23          3HZ       LYS  23  -7.192   4.112   4.112
  204   3HZ   LYS  23          2HZ       LYS  23  -8.744   3.986   3.986
  205    H    ARG  24           H        ARG  24  -9.954   7.536   7.536
  206    HA   ARG  24           HA       ARG  24 -11.986   7.053   7.053
  207   1HB   ARG  24          2HB       ARG  24 -11.394   6.339   6.339
  208   2HB   ARG  24          1HB       ARG  24 -13.012   6.972   6.972
  209   1HG   ARG  24          2HG       ARG  24 -13.067   5.281   5.281
  210   2HG   ARG  24          1HG       ARG  24 -11.952   4.455   4.455
  211   1HD   ARG  24          2HD       ARG  24 -13.972   3.574   3.574
  212   2HD   ARG  24          1HD       ARG  24 -13.852   4.932   4.932
  213    HE   ARG  24           HE       ARG  24 -15.321   6.213   6.213
  214   1HH1  ARG  24          1HH2      ARG  24 -15.637   4.752   4.752
  215   2HH1  ARG  24          2HH2      ARG  24 -16.940   3.652   3.652
  216   1HH2  ARG  24          2HH1      ARG  24 -16.688   4.052   4.052
  217   2HH2  ARG  24          1HH1      ARG  24 -17.587   3.217   3.217
  218    H    GLN  25           H        GLN  25 -11.593   9.799   9.799
  219    HA   GLN  25           HA       GLN  25 -14.382  10.729  10.729
  220   1HB   GLN  25          2HB       GLN  25 -13.793  12.542  12.542
  221   2HB   GLN  25          1HB       GLN  25 -13.644  10.951  10.951
  222   1HG   GLN  25          2HG       GLN  25 -11.353  11.022  11.022
  223   2HG   GLN  25          1HG       GLN  25 -11.124  12.009  12.009
  224   1HE2  GLN  25          2HE2      GLN  25 -12.069  14.993  14.993
  225   2HE2  GLN  25          1HE2      GLN  25 -12.787  14.231  14.231
  226    H    GLN  26           H        GLN  26 -11.711  10.820  10.820
  227    HA   GLN  26           HA       GLN  26 -12.121  13.645  13.645
  228   1HB   GLN  26          2HB       GLN  26  -9.813  13.104  13.104
  229   2HB   GLN  26          1HB       GLN  26  -9.712  11.800  11.800
  230   1HG   GLN  26          2HG       GLN  26 -10.119  13.651  13.651
  231   2HG   GLN  26          1HG       GLN  26  -9.847  14.816  14.816
  232   1HE2  GLN  26          2HE2      GLN  26  -6.576  12.496  12.496
  233   2HE2  GLN  26          1HE2      GLN  26  -8.055  11.703  11.703
  234   1HN   NH2  27          1HT       GLN  26 -11.869  10.246  10.246
  235   2HN   NH2  27          2HT       GLN  26 -12.481  10.537  10.537

  Start of MODEL   13
    1   1H    GLY   1          1H        GLY   1   3.471  -0.318  -0.318
    2   2H    GLY   1          3H        GLY   1   3.644  -0.423  -0.423
    3   3H    GLY   1          2H        GLY   1   4.856  -1.053  -1.053
    4   1HA   GLY   1          2HA       GLY   1   3.801  -3.020  -3.020
    5   2HA   GLY   1          1HA       GLY   1   2.542  -2.363  -2.363
    6    H    ILE   2           H        ILE   2   1.681  -4.042  -4.042
    7    HA   ILE   2           HA       ILE   2   0.634  -2.105  -2.105
    8    HB   ILE   2           HB       ILE   2   0.237  -4.224  -4.224
    9   1HG1  ILE   2          2HG1      ILE   2   2.245  -5.425  -5.425
   10   2HG1  ILE   2          1HG1      ILE   2   0.545  -5.862  -5.862
   11   1HG2  ILE   2          3HG2      ILE   2   2.097  -2.570  -2.570
   12   2HG2  ILE   2          2HG2      ILE   2   3.152  -3.515  -3.515
   13   3HG2  ILE   2          1HG2      ILE   2   2.544  -4.198  -4.198
   14   1HD1  ILE   2          2HD1      ILE   2   1.055  -6.459  -6.459
   15   2HD1  ILE   2          1HD1      ILE   2   2.747  -6.405  -6.405
   16   3HD1  ILE   2          3HD1      ILE   2   1.658  -7.548  -7.548
   17    H    GLY   3           H        GLY   3  -0.721  -2.007  -2.007
   18   1HA   GLY   3          2HA       GLY   3  -3.112  -3.797  -3.797
   19   2HA   GLY   3          1HA       GLY   3  -2.749  -2.827  -2.827
   20    H    ALA   4           H        ALA   4  -2.058  -0.525  -0.525
   21    HA   ALA   4           HA       ALA   4  -4.831   0.454   0.454
   22   1HB   ALA   4          2HB       ALA   4  -2.201   2.008   2.008
   23   2HB   ALA   4          1HB       ALA   4  -3.786   2.724   2.724
   24   3HB   ALA   4          3HB       ALA   4  -3.443   1.801   1.801
   25    H    VAL   5           H        VAL   5  -1.569   0.409   0.409
   26    HA   VAL   5           HA       VAL   5  -1.631   1.563   1.563
   27    HB   VAL   5           HB       VAL   5  -0.460  -1.235  -1.235
   28   1HG1  VAL   5          3HG1      VAL   5   0.373   1.040   1.040
   29   2HG1  VAL   5          2HG1      VAL   5   1.387  -0.352  -0.352
   30   3HG1  VAL   5          1HG1      VAL   5  -0.143  -0.573  -0.573
   31   1HG2  VAL   5          3HG2      VAL   5   0.519   1.513   1.513
   32   2HG2  VAL   5          2HG2      VAL   5   0.312   0.085   0.085
   33   3HG2  VAL   5          1HG2      VAL   5   1.613   0.157   0.157
   34    H    LEU   6           H        LEU   6  -2.608  -1.771  -1.771
   35    HA   LEU   6           HA       LEU   6  -3.497  -2.434  -2.434
   36   1HB   LEU   6          2HB       LEU   6  -4.789  -3.365  -3.365
   37   2HB   LEU   6          1HB       LEU   6  -4.822  -4.191  -4.191
   38    HG   LEU   6           HG       LEU   6  -2.321  -3.669  -3.669
   39   1HD1  LEU   6          1HD1      LEU   6  -3.920  -5.496  -5.496
   40   2HD1  LEU   6          3HD1      LEU   6  -3.568  -6.339  -6.339
   41   3HD1  LEU   6          2HD1      LEU   6  -2.290  -6.012  -6.012
   42   1HD2  LEU   6          1HD2      LEU   6  -2.611  -4.948  -4.948
   43   2HD2  LEU   6          3HD2      LEU   6  -1.580  -3.596  -3.596
   44   3HD2  LEU   6          2HD2      LEU   6  -1.220  -5.202  -5.202
   45    H    LYS   7           H        LYS   7  -5.165  -0.629  -0.629
   46    HA   LYS   7           HA       LYS   7  -7.687  -0.734  -0.734
   47   1HB   LYS   7          2HB       LYS   7  -6.603   1.107   1.107
   48   2HB   LYS   7          1HB       LYS   7  -8.247   1.240   1.240
   49   1HG   LYS   7          2HG       LYS   7  -7.339  -1.568  -1.568
   50   2HG   LYS   7          1HG       LYS   7  -7.329  -0.439  -0.439
   51   1HD   LYS   7          2HD       LYS   7  -9.482  -1.319  -1.319
   52   2HD   LYS   7          1HD       LYS   7  -9.778   0.182   0.182
   53   1HE   LYS   7          2HE       LYS   7  -9.460  -2.549  -2.549
   54   2HE   LYS   7          1HE       LYS   7 -11.003  -1.810  -1.810
   55   1HZ   LYS   7          1HZ       LYS   7  -9.417   0.053   0.053
   56   2HZ   LYS   7          3HZ       LYS   7  -9.454  -1.382  -1.382
   57   3HZ   LYS   7          2HZ       LYS   7 -10.887  -0.636  -0.636
   58    H    VAL   8           H        VAL   8  -4.962   1.451   1.451
   59    HA   VAL   8           HA       VAL   8  -6.315   3.567   3.567
   60    HB   VAL   8           HB       VAL   8  -3.374   2.712   2.712
   61   1HG1  VAL   8          2HG1      VAL   8  -4.245   4.573   4.573
   62   2HG1  VAL   8          1HG1      VAL   8  -4.699   5.447   5.447
   63   3HG1  VAL   8          3HG1      VAL   8  -3.004   5.108   5.108
   64   1HG2  VAL   8          2HG2      VAL   8  -4.767   4.172   4.172
   65   2HG2  VAL   8          1HG2      VAL   8  -3.701   2.784   2.784
   66   3HG2  VAL   8          3HG2      VAL   8  -3.050   4.357   4.357
   67    H    LEU   9           H        LEU   9  -4.757   0.599   0.599
   68    HA   LEU   9           HA       LEU   9  -4.899   1.024   1.024
   69   1HB   LEU   9          2HB       LEU   9  -5.351  -1.760  -1.760
   70   2HB   LEU   9          1HB       LEU   9  -4.290  -1.236  -1.236
   71    HG   LEU   9           HG       LEU   9  -3.792  -0.915  -0.915
   72   1HD1  LEU   9          2HD1      LEU   9  -2.546  -2.664  -2.664
   73   2HD1  LEU   9          1HD1      LEU   9  -1.914  -2.462  -2.462
   74   3HD1  LEU   9          3HD1      LEU   9  -3.496  -3.182  -3.182
   75   1HD2  LEU   9          3HD2      LEU   9  -2.792   0.994   0.994
   76   2HD2  LEU   9          2HD2      LEU   9  -1.601  -0.022  -0.022
   77   3HD2  LEU   9          1HD2      LEU   9  -1.921  -0.207  -0.207
   78    H    THR  10           H        THR  10  -7.242   0.260   0.260
   79    HA   THR  10           HA       THR  10  -9.246  -0.767  -0.767
   80    HB   THR  10           HB       THR  10 -10.146   0.404   0.404
   81    HG1  THR  10           HG1      THR  10  -8.068  -1.409  -1.409
   82   1HG2  THR  10          2HG2      THR  10 -11.622  -1.034  -1.034
   83   2HG2  THR  10          1HG2      THR  10 -10.498  -2.364  -2.364
   84   3HG2  THR  10          3HG2      THR  10 -11.411  -1.755  -1.755
   85    H    THR  11           H        THR  11  -8.027   2.265   2.265
   86    HA   THR  11           HA       THR  11 -10.491   3.676   3.676
   87    HB   THR  11           HB       THR  11  -8.020   5.221   5.221
   88    HG1  THR  11           HG1      THR  11  -9.635   3.984   3.984
   89   1HG2  THR  11          1HG2      THR  11 -10.996   5.310   5.310
   90   2HG2  THR  11          3HG2      THR  11  -9.765   6.422   6.422
   91   3HG2  THR  11          2HG2      THR  11 -10.196   6.401   6.401
   92    H    GLY  12           H        GLY  12  -7.512   2.496   2.496
   93   1HA   GLY  12          2HA       GLY  12  -7.636   2.785   2.785
   94   2HA   GLY  12          1HA       GLY  12  -7.323   4.475   4.475
   95    H    LEU  13           H        LEU  13  -5.838   1.814   1.814
   96    HA   LEU  13           HA       LEU  13  -3.600   1.444   1.444
   97   1HB   LEU  13          2HB       LEU  13  -4.245   0.828   0.828
   98   2HB   LEU  13          1HB       LEU  13  -2.539   0.893   0.893
   99    HG   LEU  13           HG       LEU  13  -3.071  -0.680  -0.680
  100   1HD1  LEU  13          3HD1      LEU  13  -5.650  -0.987  -0.987
  101   2HD1  LEU  13          2HD1      LEU  13  -5.158  -2.054  -2.054
  102   3HD1  LEU  13          1HD1      LEU  13  -5.534  -0.379  -0.379
  103   1HD2  LEU  13          3HD2      LEU  13  -1.954  -1.419  -1.419
  104   2HD2  LEU  13          2HD2      LEU  13  -2.914  -2.685  -2.685
  105   3HD2  LEU  13          1HD2      LEU  13  -3.536  -1.807  -1.807
  106    HA   PRO  14           HA       DPR  14  -0.664   4.875   4.875
  107   1HB   PRO  14          2HB       DPR  14  -1.155   6.134   6.134
  108   2HB   PRO  14          1HB       DPR  14  -2.861   5.654   5.654
  109   1HG   PRO  14          2HG       DPR  14  -0.459   3.822   3.822
  110   2HG   PRO  14          1HG       DPR  14  -1.915   3.968   3.968
  111   1HD   PRO  14          2HD       DPR  14  -1.713   2.065   2.065
  112   2HD   PRO  14          1HD       DPR  14  -3.259   2.823   2.823
  113    H    ALA  15           H        ALA  15  -1.126   5.425   5.425
  114    HA   ALA  15           HA       ALA  15  -2.766   7.898   7.898
  115   1HB   ALA  15          3HB       ALA  15  -0.351   8.025   8.025
  116   2HB   ALA  15          2HB       ALA  15  -0.596   6.862   6.862
  117   3HB   ALA  15          1HB       ALA  15  -1.367   8.438   8.438
  118    H    LEU  16           H        LEU  16  -3.097   4.660   4.660
  119    HA   LEU  16           HA       LEU  16  -3.990   4.648   4.648
  120   1HB   LEU  16          2HB       LEU  16  -4.799   3.263   3.263
  121   2HB   LEU  16          1HB       LEU  16  -5.937   3.131   3.131
  122    HG   LEU  16           HG       LEU  16  -4.142   1.378   1.378
  123   1HD1  LEU  16          2HD1      LEU  16  -5.405   2.477   2.477
  124   2HD1  LEU  16          1HD1      LEU  16  -3.724   2.516   2.516
  125   3HD1  LEU  16          3HD1      LEU  16  -4.464   0.996   0.996
  126   1HD2  LEU  16          1HD2      LEU  16  -2.135   2.668   2.668
  127   2HD2  LEU  16          3HD2      LEU  16  -1.933   1.783   1.783
  128   3HD2  LEU  16          2HD2      LEU  16  -2.245   3.505   3.505
  129    H    ILE  17           H        ILE  17  -5.820   5.923   5.923
  130    HA   ILE  17           HA       ILE  17  -8.299   6.410   6.410
  131    HB   ILE  17           HB       ILE  17  -7.168   8.623   8.623
  132   1HG1  ILE  17          2HG1      ILE  17  -7.830   6.926   6.926
  133   2HG1  ILE  17          1HG1      ILE  17  -7.440   5.720   5.720
  134   1HG2  ILE  17          1HG2      ILE  17  -9.594   8.423   8.423
  135   2HG2  ILE  17          3HG2      ILE  17  -9.746   7.051   7.051
  136   3HG2  ILE  17          2HG2      ILE  17  -9.357   8.643   8.643
  137   1HD1  ILE  17          3HD1      ILE  17  -5.268   7.565   7.565
  138   2HD1  ILE  17          2HD1      ILE  17  -5.646   7.438   7.438
  139   3HD1  ILE  17          1HD1      ILE  17  -5.239   6.005   6.005
  140    H    SER  18           H        SER  18  -5.365   8.328   8.328
  141    HA   SER  18           HA       SER  18  -6.804  10.152  10.152
  142   1HB   SER  18          2HB       SER  18  -4.513  10.518  10.518
  143   2HB   SER  18          1HB       SER  18  -4.123  11.101  11.101
  144    HG   SER  18           HG       SER  18  -5.489  12.433  12.433
  145    H    TRP  19           H        TRP  19  -5.438   7.355   7.355
  146    HA   TRP  19           HA       TRP  19  -3.890   7.850   7.850
  147   1HB   TRP  19          2HB       TRP  19  -3.270   6.216   6.216
  148   2HB   TRP  19          1HB       TRP  19  -4.060   5.038   5.038
  149    HD1  TRP  19           HD1      TRP  19  -0.797   5.759   5.759
  150    HE1  TRP  19           HE1      TRP  19   0.967   5.397   5.397
  151    HE3  TRP  19           HE3      TRP  19  -3.847   5.748   5.748
  152    HZ2  TRP  19           HZ2      TRP  19   1.040   5.158   5.158
  153    HZ3  TRP  19           HZ3      TRP  19  -2.837   5.440   5.440
  154    HH2  TRP  19           HH2      TRP  19  -0.396   5.143   5.143
  155    H    ILE  20           H        ILE  20  -6.239   5.344   5.344
  156    HA   ILE  20           HA       ILE  20  -7.063   5.169   5.169
  157    HB   ILE  20           HB       ILE  20  -7.028   3.372   3.372
  158   1HG1  ILE  20          2HG1      ILE  20  -7.814   2.820   2.820
  159   2HG1  ILE  20          1HG1      ILE  20  -6.149   3.017   3.017
  160   1HG2  ILE  20          2HG2      ILE  20  -9.687   3.652   3.652
  161   2HG2  ILE  20          1HG2      ILE  20  -9.281   2.293   2.293
  162   3HG2  ILE  20          3HG2      ILE  20  -9.423   3.911   3.911
  163   1HD1  ILE  20          1HD1      ILE  20  -6.534   1.111   1.111
  164   2HD1  ILE  20          3HD1      ILE  20  -8.077   0.832   0.832
  165   3HD1  ILE  20          2HD1      ILE  20  -6.584   0.647   0.647
  166    H    LYS  21           H        LYS  21  -8.534   6.031   6.031
  167    HA   LYS  21           HA       LYS  21 -11.118   6.484   6.484
  168   1HB   LYS  21          2HB       LYS  21  -9.719   7.042   7.042
  169   2HB   LYS  21          1HB       LYS  21 -10.946   8.233   8.233
  170   1HG   LYS  21          2HG       LYS  21 -12.570   6.327   6.327
  171   2HG   LYS  21          1HG       LYS  21 -11.287   5.191   5.191
  172   1HD   LYS  21          2HD       LYS  21 -11.932   5.242   5.242
  173   2HD   LYS  21          1HD       LYS  21 -11.146   6.802   6.802
  174   1HE   LYS  21          2HE       LYS  21 -13.220   7.993   7.993
  175   2HE   LYS  21          1HE       LYS  21 -14.073   6.532   6.532
  176   1HZ   LYS  21          3HZ       LYS  21 -13.000   6.187   6.187
  177   2HZ   LYS  21          2HZ       LYS  21 -13.873   7.641   7.641
  178   3HZ   LYS  21          1HZ       LYS  21 -14.634   6.196   6.196
  179    H    ARG  22           H        ARG  22  -8.156   8.244   8.244
  180    HA   ARG  22           HA       ARG  22  -9.290  10.802  10.802
  181   1HB   ARG  22          2HB       ARG  22  -7.017  10.499  10.499
  182   2HB   ARG  22          1HB       ARG  22  -6.502   9.600   9.600
  183   1HG   ARG  22          2HG       ARG  22  -6.481  11.534  11.534
  184   2HG   ARG  22          1HG       ARG  22  -7.697  12.352  12.352
  185   1HD   ARG  22          2HD       ARG  22  -6.091  13.542  13.542
  186   2HD   ARG  22          1HD       ARG  22  -5.462  12.088  12.088
  187    HE   ARG  22           HE       ARG  22  -4.586  13.012  13.012
  188   1HH1  ARG  22          1HH2      ARG  22  -3.983  10.444  10.444
  189   2HH1  ARG  22          2HH2      ARG  22  -2.322  10.673  10.673
  190   1HH2  ARG  22          2HH1      ARG  22  -2.560  14.103  14.103
  191   2HH2  ARG  22          1HH1      ARG  22  -1.455  12.932  12.932
  192    H    LYS  23           H        LYS  23  -8.066   8.082   8.082
  193    HA   LYS  23           HA       LYS  23  -8.869   9.431   9.431
  194   1HB   LYS  23          2HB       LYS  23  -7.925   7.359   7.359
  195   2HB   LYS  23          1HB       LYS  23  -6.756   8.264   8.264
  196   1HG   LYS  23          2HG       LYS  23  -6.915   6.719   6.719
  197   2HG   LYS  23          1HG       LYS  23  -8.256   5.851   5.851
  198   1HD   LYS  23          2HD       LYS  23  -5.654   6.045   6.045
  199   2HD   LYS  23          1HD       LYS  23  -5.687   5.017   5.017
  200   1HE   LYS  23          2HE       LYS  23  -6.706   3.356   3.356
  201   2HE   LYS  23          1HE       LYS  23  -8.089   4.393   4.393
  202   1HZ   LYS  23          2HZ       LYS  23  -6.091   5.223   5.223
  203   2HZ   LYS  23          1HZ       LYS  23  -6.187   3.534   3.534
  204   3HZ   LYS  23          3HZ       LYS  23  -7.566   4.489   4.489
  205    H    ARG  24           H        ARG  24 -10.255   7.213   7.213
  206    HA   ARG  24           HA       ARG  24 -12.037   6.105   6.105
  207   1HB   ARG  24          2HB       ARG  24 -11.102   4.836   4.836
  208   2HB   ARG  24          1HB       ARG  24 -12.434   5.629   5.629
  209   1HG   ARG  24          2HG       ARG  24 -13.737   4.674   4.674
  210   2HG   ARG  24          1HG       ARG  24 -12.456   3.489   3.489
  211   1HD   ARG  24          2HD       ARG  24 -13.254   2.631   2.631
  212   2HD   ARG  24          1HD       ARG  24 -14.069   4.129   4.129
  213    HE   ARG  24           HE       ARG  24 -15.059   2.339   2.339
  214   1HH1  ARG  24          1HH2      ARG  24 -16.141   5.061   5.061
  215   2HH1  ARG  24          2HH2      ARG  24 -17.573   4.807   4.807
  216   1HH2  ARG  24          2HH1      ARG  24 -16.451   1.534   1.534
  217   2HH2  ARG  24          1HH1      ARG  24 -17.765   2.620   2.620
  218    H    GLN  25           H        GLN  25 -12.023   8.573   8.573
  219    HA   GLN  25           HA       GLN  25 -14.946   9.015   9.015
  220   1HB   GLN  25          2HB       GLN  25 -13.078  10.310  10.310
  221   2HB   GLN  25          1HB       GLN  25 -14.808  10.533  10.533
  222   1HG   GLN  25          2HG       GLN  25 -15.314   8.307   8.307
  223   2HG   GLN  25          1HG       GLN  25 -13.716   7.702   7.702
  224   1HE2  GLN  25          2HE2      GLN  25 -12.497   9.664   9.664
  225   2HE2  GLN  25          1HE2      GLN  25 -12.261   9.884   9.884
  226    H    GLN  26           H        GLN  26 -11.792  10.465  10.465
  227    HA   GLN  26           HA       GLN  26 -13.230  12.794  12.794
  228   1HB   GLN  26          2HB       GLN  26 -11.391  13.212  13.212
  229   2HB   GLN  26          1HB       GLN  26 -10.245  12.648  12.648
  230   1HG   GLN  26          2HG       GLN  26 -10.580  14.491  14.491
  231   2HG   GLN  26          1HG       GLN  26 -12.179  14.845  14.845
  232   1HE2  GLN  26          2HE2      GLN  26  -8.937  16.334  16.334
  233   2HE2  GLN  26          1HE2      GLN  26  -8.700  15.107  15.107
  234   1HN   NH2  27          1HT       GLN  26 -13.653  11.926  11.926
  235   2HN   NH2  27          2HT       GLN  26 -12.434  11.341  11.341

  Start of MODEL   14
    1   1H    GLY   1          2H        GLY   1   4.941  -1.718  -1.718
    2   2H    GLY   1          1H        GLY   1   5.464  -1.717  -1.717
    3   3H    GLY   1          3H        GLY   1   6.055  -2.889  -2.889
    4   1HA   GLY   1          2HA       GLY   1   4.348  -4.244  -4.244
    5   2HA   GLY   1          1HA       GLY   1   3.724  -3.022  -3.022
    6    H    ILE   2           H        ILE   2   1.627  -4.104  -4.104
    7    HA   ILE   2           HA       ILE   2   1.124  -2.455  -2.455
    8    HB   ILE   2           HB       ILE   2  -0.804  -4.218  -4.218
    9   1HG1  ILE   2          2HG1      ILE   2  -0.313  -6.440  -6.440
   10   2HG1  ILE   2          1HG1      ILE   2   1.022  -5.824  -5.824
   11   1HG2  ILE   2          1HG2      ILE   2   1.350  -4.044  -4.044
   12   2HG2  ILE   2          3HG2      ILE   2   2.086  -5.192  -5.192
   13   3HG2  ILE   2          2HG2      ILE   2   0.710  -5.666  -5.666
   14   1HD1  ILE   2          2HD1      ILE   2  -1.660  -4.500  -4.500
   15   2HD1  ILE   2          1HD1      ILE   2  -1.475  -6.137  -6.137
   16   3HD1  ILE   2          3HD1      ILE   2  -0.424  -4.883  -4.883
   17    H    GLY   3           H        GLY   3   0.318  -2.686  -2.686
   18   1HA   GLY   3          2HA       GLY   3  -1.964  -2.285  -2.285
   19   2HA   GLY   3          1HA       GLY   3  -0.929  -0.886  -0.886
   20    H    ALA   4           H        ALA   4  -1.205   0.752   0.752
   21    HA   ALA   4           HA       ALA   4  -4.087   1.040   1.040
   22   1HB   ALA   4          3HB       ALA   4  -1.845   3.113   3.113
   23   2HB   ALA   4          2HB       ALA   4  -3.515   3.460   3.460
   24   3HB   ALA   4          1HB       ALA   4  -3.112   2.874   2.874
   25    H    VAL   5           H        VAL   5  -1.237   0.099   0.099
   26    HA   VAL   5           HA       VAL   5  -1.409   1.397   1.397
   27    HB   VAL   5           HB       VAL   5  -0.392  -1.459  -1.459
   28   1HG1  VAL   5          2HG1      VAL   5  -0.657  -0.698  -0.698
   29   2HG1  VAL   5          1HG1      VAL   5   0.478   0.596   0.596
   30   3HG1  VAL   5          3HG1      VAL   5   0.996  -1.078  -1.078
   31   1HG2  VAL   5          3HG2      VAL   5   1.086   1.203   1.203
   32   2HG2  VAL   5          2HG2      VAL   5   0.769   0.030   0.030
   33   3HG2  VAL   5          1HG2      VAL   5   1.878  -0.362  -0.362
   34    H    LEU   6           H        LEU   6  -2.656  -1.558  -1.558
   35    HA   LEU   6           HA       LEU   6  -4.054  -2.725  -2.725
   36   1HB   LEU   6          2HB       LEU   6  -5.216  -2.278  -2.278
   37   2HB   LEU   6          1HB       LEU   6  -5.737  -3.509  -3.509
   38    HG   LEU   6           HG       LEU   6  -2.825  -3.431  -3.431
   39   1HD1  LEU   6          2HD1      LEU   6  -5.240  -4.406  -4.406
   40   2HD1  LEU   6          1HD1      LEU   6  -3.704  -5.227  -5.227
   41   3HD1  LEU   6          3HD1      LEU   6  -3.840  -3.525  -3.525
   42   1HD2  LEU   6          1HD2      LEU   6  -3.472  -4.957  -4.957
   43   2HD2  LEU   6          3HD2      LEU   6  -2.949  -5.846  -5.846
   44   3HD2  LEU   6          2HD2      LEU   6  -4.657  -5.722  -5.722
   45    H    LYS   7           H        LYS   7  -5.060  -0.116  -0.116
   46    HA   LYS   7           HA       LYS   7  -7.574   0.534   0.534
   47   1HB   LYS   7          2HB       LYS   7  -5.799   1.718   1.718
   48   2HB   LYS   7          1HB       LYS   7  -5.956   2.936   2.936
   49   1HG   LYS   7          2HG       LYS   7  -7.739   3.448   3.448
   50   2HG   LYS   7          1HG       LYS   7  -8.543   2.504   2.504
   51   1HD   LYS   7          2HD       LYS   7  -7.731   0.496   0.496
   52   2HD   LYS   7          1HD       LYS   7  -7.895   1.852   1.852
   53   1HE   LYS   7          2HE       LYS   7 -10.002   0.677   0.677
   54   2HE   LYS   7          1HE       LYS   7 -10.237   2.221   2.221
   55   1HZ   LYS   7          1HZ       LYS   7  -9.480   0.342   0.342
   56   2HZ   LYS   7          3HZ       LYS   7 -10.696  -0.349  -0.349
   57   3HZ   LYS   7          2HZ       LYS   7 -10.955   1.139   1.139
   58    H    VAL   8           H        VAL   8  -4.460   1.669   1.669
   59    HA   VAL   8           HA       VAL   8  -5.224   3.444   3.444
   60    HB   VAL   8           HB       VAL   8  -2.744   1.616   1.616
   61   1HG1  VAL   8          1HG1      VAL   8  -3.367   4.021   4.021
   62   2HG1  VAL   8          3HG1      VAL   8  -1.689   3.656   3.656
   63   3HG1  VAL   8          2HG1      VAL   8  -2.637   2.523   2.523
   64   1HG2  VAL   8          1HG2      VAL   8  -3.258   4.464   4.464
   65   2HG2  VAL   8          3HG2      VAL   8  -3.153   3.053   3.053
   66   3HG2  VAL   8          2HG2      VAL   8  -1.742   3.593   3.593
   67    H    LEU   9           H        LEU   9  -4.951   0.038   0.038
   68    HA   LEU   9           HA       LEU   9  -5.561  -0.313  -0.313
   69   1HB   LEU   9          2HB       LEU   9  -5.462  -2.640  -2.640
   70   2HB   LEU   9          1HB       LEU   9  -4.912  -2.554  -2.554
   71    HG   LEU   9           HG       LEU   9  -3.504  -1.057  -1.057
   72   1HD1  LEU   9          3HD1      LEU   9  -3.618  -3.615  -3.615
   73   2HD1  LEU   9          2HD1      LEU   9  -2.576  -3.736  -3.736
   74   3HD1  LEU   9          1HD1      LEU   9  -2.036  -2.863  -2.863
   75   1HD2  LEU   9          1HD2      LEU   9  -2.745  -1.881  -1.881
   76   2HD2  LEU   9          3HD2      LEU   9  -2.811  -0.255  -0.255
   77   3HD2  LEU   9          2HD2      LEU   9  -1.541  -1.352  -1.352
   78    H    THR  10           H        THR  10  -7.484   0.443   0.443
   79    HA   THR  10           HA       THR  10  -9.679  -1.431  -1.431
   80    HB   THR  10           HB       THR  10 -10.429   0.170   0.170
   81    HG1  THR  10           HG1      THR  10  -7.815  -0.875  -0.875
   82   1HG2  THR  10          3HG2      THR  10  -9.736  -2.793  -2.793
   83   2HG2  THR  10          2HG2      THR  10 -10.533  -2.132  -2.132
   84   3HG2  THR  10          1HG2      THR  10 -11.347  -2.102  -2.102
   85    H    THR  11           H        THR  11  -8.458   1.542   1.542
   86    HA   THR  11           HA       THR  11 -11.118   2.709   2.709
   87    HB   THR  11           HB       THR  11  -8.557   4.235   4.235
   88    HG1  THR  11           HG1      THR  11 -10.777   4.372   4.372
   89   1HG2  THR  11          1HG2      THR  11 -11.490   5.121   5.121
   90   2HG2  THR  11          3HG2      THR  11 -10.189   6.146   6.146
   91   3HG2  THR  11          2HG2      THR  11 -10.167   5.577   5.577
   92    H    GLY  12           H        GLY  12  -7.644   3.016   3.016
   93   1HA   GLY  12          2HA       GLY  12  -8.470   2.707   2.707
   94   2HA   GLY  12          1HA       GLY  12  -7.543   4.140   4.140
   95    H    LEU  13           H        LEU  13  -5.491   3.936   3.936
   96    HA   LEU  13           HA       LEU  13  -3.788   1.902   1.902
   97   1HB   LEU  13          2HB       LEU  13  -4.938   1.480   1.480
   98   2HB   LEU  13          1HB       LEU  13  -3.193   1.607   1.607
   99    HG   LEU  13           HG       LEU  13  -4.595  -0.280  -0.280
  100   1HD1  LEU  13          3HD1      LEU  13  -5.227  -0.749  -0.749
  101   2HD1  LEU  13          2HD1      LEU  13  -3.520  -0.938  -0.938
  102   3HD1  LEU  13          1HD1      LEU  13  -4.303  -2.032  -2.032
  103   1HD2  LEU  13          3HD2      LEU  13  -1.755   0.242   0.242
  104   2HD2  LEU  13          2HD2      LEU  13  -2.369  -0.165  -0.165
  105   3HD2  LEU  13          1HD2      LEU  13  -2.211  -1.406  -1.406
  106    HA   PRO  14           HA       DPR  14  -1.308   5.573   5.573
  107   1HB   PRO  14          2HB       DPR  14  -1.963   7.234   7.234
  108   2HB   PRO  14          1HB       DPR  14  -3.638   7.237   7.237
  109   1HG   PRO  14          2HG       DPR  14  -2.229   5.165   5.165
  110   2HG   PRO  14          1HG       DPR  14  -3.786   5.931   5.931
  111   1HD   PRO  14          2HD       DPR  14  -3.769   3.486   3.486
  112   2HD   PRO  14          1HD       DPR  14  -4.887   4.726   4.726
  113    H    ALA  15           H        ALA  15  -1.499   5.347   5.347
  114    HA   ALA  15           HA       ALA  15  -2.522   7.925   7.925
  115   1HB   ALA  15          2HB       ALA  15  -0.143   7.412   7.412
  116   2HB   ALA  15          1HB       ALA  15  -0.544   6.004   6.004
  117   3HB   ALA  15          3HB       ALA  15  -0.944   7.629   7.629
  118    H    LEU  16           H        LEU  16  -3.056   4.507   4.507
  119    HA   LEU  16           HA       LEU  16  -4.013   4.241   4.241
  120   1HB   LEU  16          2HB       LEU  16  -4.826   3.050   3.050
  121   2HB   LEU  16          1HB       LEU  16  -5.804   2.675   2.675
  122    HG   LEU  16           HG       LEU  16  -3.859   1.076   1.076
  123   1HD1  LEU  16          3HD1      LEU  16  -4.314   2.284   2.284
  124   2HD1  LEU  16          2HD1      LEU  16  -3.281   0.890   0.890
  125   3HD1  LEU  16          1HD1      LEU  16  -4.974   0.799   0.799
  126   1HD2  LEU  16          1HD2      LEU  16  -2.069   2.759   2.759
  127   2HD2  LEU  16          3HD2      LEU  16  -1.646   1.624   1.624
  128   3HD2  LEU  16          2HD2      LEU  16  -2.157   3.240   3.240
  129    H    ILE  17           H        ILE  17  -5.930   5.485   5.485
  130    HA   ILE  17           HA       ILE  17  -8.351   5.802   5.802
  131    HB   ILE  17           HB       ILE  17  -8.509   7.713   7.713
  132   1HG1  ILE  17          2HG1      ILE  17  -7.319   7.086   7.086
  133   2HG1  ILE  17          1HG1      ILE  17  -6.542   5.732   5.732
  134   1HG2  ILE  17          2HG2      ILE  17  -8.688   4.702   4.702
  135   2HG2  ILE  17          1HG2      ILE  17  -9.329   5.868   5.868
  136   3HG2  ILE  17          3HG2      ILE  17  -9.985   5.795   5.795
  137   1HD1  ILE  17          2HD1      ILE  17  -6.113   8.460   8.460
  138   2HD1  ILE  17          1HD1      ILE  17  -5.383   8.130   8.130
  139   3HD1  ILE  17          3HD1      ILE  17  -4.986   7.120   7.120
  140    H    SER  18           H        SER  18  -5.451   7.594   7.594
  141    HA   SER  18           HA       SER  18  -6.656   9.864   9.864
  142   1HB   SER  18          2HB       SER  18  -3.991   9.494   9.494
  143   2HB   SER  18          1HB       SER  18  -4.404  10.961  10.961
  144    HG   SER  18           HG       SER  18  -5.333  11.375  11.375
  145    H    TRP  19           H        TRP  19  -5.460   7.000   7.000
  146    HA   TRP  19           HA       TRP  19  -3.893   7.793   7.793
  147   1HB   TRP  19          2HB       TRP  19  -3.243   5.924   5.924
  148   2HB   TRP  19          1HB       TRP  19  -4.234   4.883   4.883
  149    HD1  TRP  19           HD1      TRP  19  -0.825   5.326   5.326
  150    HE1  TRP  19           HE1      TRP  19   0.711   4.802   4.802
  151    HE3  TRP  19           HE3      TRP  19  -4.250   5.536   5.536
  152    HZ2  TRP  19           HZ2      TRP  19   0.510   4.512   4.512
  153    HZ3  TRP  19           HZ3      TRP  19  -3.478   5.102   5.102
  154    HH2  TRP  19           HH2      TRP  19  -1.101   4.591   4.591
  155    H    ILE  20           H        ILE  20  -6.224   5.103   5.103
  156    HA   ILE  20           HA       ILE  20  -7.108   5.498   5.498
  157    HB   ILE  20           HB       ILE  20  -7.145   3.342   3.342
  158   1HG1  ILE  20          2HG1      ILE  20  -7.616   3.275   3.275
  159   2HG1  ILE  20          1HG1      ILE  20  -6.025   3.312   3.312
  160   1HG2  ILE  20          3HG2      ILE  20  -9.646   3.855   3.855
  161   2HG2  ILE  20          2HG2      ILE  20  -9.310   2.345   2.345
  162   3HG2  ILE  20          1HG2      ILE  20  -9.519   3.841   3.841
  163   1HD1  ILE  20          3HD1      ILE  20  -6.811   1.204   1.204
  164   2HD1  ILE  20          2HD1      ILE  20  -8.094   1.107   1.107
  165   3HD1  ILE  20          1HD1      ILE  20  -6.418   0.998   0.998
  166    H    LYS  21           H        LYS  21  -8.491   6.025   6.025
  167    HA   LYS  21           HA       LYS  21 -11.066   6.640   6.640
  168   1HB   LYS  21          2HB       LYS  21  -9.892   7.037   7.037
  169   2HB   LYS  21          1HB       LYS  21 -11.427   7.765   7.765
  170   1HG   LYS  21          2HG       LYS  21 -12.152   5.418   5.418
  171   2HG   LYS  21          1HG       LYS  21 -10.645   4.807   4.807
  172   1HD   LYS  21          2HD       LYS  21 -12.072   4.344   4.344
  173   2HD   LYS  21          1HD       LYS  21 -11.376   5.867   5.867
  174   1HE   LYS  21          2HE       LYS  21 -13.376   7.094   7.094
  175   2HE   LYS  21          1HE       LYS  21 -14.034   5.666   5.666
  176   1HZ   LYS  21          1HZ       LYS  21 -13.499   5.089   5.089
  177   2HZ   LYS  21          3HZ       LYS  21 -14.439   6.501   6.501
  178   3HZ   LYS  21          2HZ       LYS  21 -14.995   5.073   5.073
  179    H    ARG  22           H        ARG  22  -8.145   8.144   8.144
  180    HA   ARG  22           HA       ARG  22  -9.210  10.900  10.900
  181   1HB   ARG  22          2HB       ARG  22  -6.990  10.157  10.157
  182   2HB   ARG  22          1HB       ARG  22  -6.380   9.812   9.812
  183   1HG   ARG  22          2HG       ARG  22  -5.957  12.001  12.001
  184   2HG   ARG  22          1HG       ARG  22  -7.563  12.512  12.512
  185   1HD   ARG  22          2HD       ARG  22  -6.365  11.924  11.924
  186   2HD   ARG  22          1HD       ARG  22  -5.015  12.517  12.517
  187    HE   ARG  22           HE       ARG  22  -7.577  14.082  14.082
  188   1HH1  ARG  22          2HH1      ARG  22  -5.870  15.135  15.135
  189   2HH1  ARG  22          1HH1      ARG  22  -4.818  16.251  16.251
  190   1HH2  ARG  22          1HH2      ARG  22  -5.626  14.671  14.671
  191   2HH2  ARG  22          2HH2      ARG  22  -4.653  15.946  15.946
  192    H    LYS  23           H        LYS  23  -7.526   8.523   8.523
  193    HA   LYS  23           HA       LYS  23  -7.936   9.884   9.884
  194   1HB   LYS  23          2HB       LYS  23  -6.659   8.177   8.177
  195   2HB   LYS  23          1HB       LYS  23  -6.276   7.877   7.877
  196   1HG   LYS  23          2HG       LYS  23  -8.162   6.177   6.177
  197   2HG   LYS  23          1HG       LYS  23  -8.424   6.439   6.439
  198   1HD   LYS  23          2HD       LYS  23  -5.637   5.874   5.874
  199   2HD   LYS  23          1HD       LYS  23  -6.366   4.803   4.803
  200   1HE   LYS  23          2HE       LYS  23  -6.392   3.641   3.641
  201   2HE   LYS  23          1HE       LYS  23  -8.046   4.079   4.079
  202   1HZ   LYS  23          2HZ       LYS  23  -6.905   6.252   6.252
  203   2HZ   LYS  23          1HZ       LYS  23  -6.563   4.872   4.872
  204   3HZ   LYS  23          3HZ       LYS  23  -8.170   5.271   5.271
  205    H    ARG  24           H        ARG  24  -9.865   7.647   7.647
  206    HA   ARG  24           HA       ARG  24 -11.657   7.003   7.003
  207   1HB   ARG  24          2HB       ARG  24 -11.178   5.590   5.590
  208   2HB   ARG  24          1HB       ARG  24 -12.220   6.687   6.687
  209   1HG   ARG  24          2HG       ARG  24 -13.417   5.643   5.643
  210   2HG   ARG  24          1HG       ARG  24 -12.966   4.363   4.363
  211   1HD   ARG  24          2HD       ARG  24 -14.892   4.747   4.747
  212   2HD   ARG  24          1HD       ARG  24 -14.320   6.356   6.356
  213    HE   ARG  24           HE       ARG  24 -15.285   7.142   7.142
  214   1HH1  ARG  24          2HH1      ARG  24 -15.878   4.307   4.307
  215   2HH1  ARG  24          1HH1      ARG  24 -17.574   4.135   4.135
  216   1HH2  ARG  24          1HH2      ARG  24 -17.605   7.057   7.057
  217   2HH2  ARG  24          2HH2      ARG  24 -18.629   5.814   5.814
  218    H    GLN  25           H        GLN  25 -11.230   9.694   9.694
  219    HA   GLN  25           HA       GLN  25 -14.060  10.612  10.612
  220   1HB   GLN  25          2HB       GLN  25 -11.633  11.492  11.492
  221   2HB   GLN  25          1HB       GLN  25 -12.900  12.652  12.652
  222   1HG   GLN  25          2HG       GLN  25 -14.561  10.916  10.916
  223   2HG   GLN  25          1HG       GLN  25 -13.144  10.037  10.037
  224   1HE2  GLN  25          2HE2      GLN  25 -14.265  12.818  12.818
  225   2HE2  GLN  25          1HE2      GLN  25 -15.317  11.871  11.871
  226    H    GLN  26           H        GLN  26 -10.749  11.583  11.583
  227    HA   GLN  26           HA       GLN  26 -11.797  13.310  13.310
  228   1HB   GLN  26          2HB       GLN  26 -10.624  14.445  14.445
  229   2HB   GLN  26          1HB       GLN  26  -9.160  13.624  13.624
  230   1HG   GLN  26          2HG       GLN  26 -10.239  14.898  14.898
  231   2HG   GLN  26          1HG       GLN  26 -10.319  16.085  16.085
  232   1HE2  GLN  26          2HE2      GLN  26  -6.670  15.787  15.787
  233   2HE2  GLN  26          1HE2      GLN  26  -8.048  15.608  15.608
  234   1HN   NH2  27          1HT       GLN  26 -11.704  11.435  11.435
  235   2HN   NH2  27          2HT       GLN  26 -10.191  10.907  10.907

  Start of MODEL   15
    1   1H    GLY   1          1H        GLY   1   2.400   0.704   0.704
    2   2H    GLY   1          3H        GLY   1   2.716   1.008   1.008
    3   3H    GLY   1          2H        GLY   1   3.986   0.567   0.567
    4   1HA   GLY   1          2HA       GLY   1   3.614  -1.599  -1.599
    5   2HA   GLY   1          1HA       GLY   1   2.292  -1.133  -1.133
    6    H    ILE   2           H        ILE   2   1.873  -3.414  -3.414
    7    HA   ILE   2           HA       ILE   2   0.760  -2.817  -2.817
    8    HB   ILE   2           HB       ILE   2  -0.402  -5.004  -5.004
    9   1HG1  ILE   2          2HG1      ILE   2   0.636  -5.032  -5.032
   10   2HG1  ILE   2          1HG1      ILE   2  -1.051  -4.913  -4.913
   11   1HG2  ILE   2          1HG2      ILE   2   2.168  -4.691  -4.691
   12   2HG2  ILE   2          3HG2      ILE   2   2.387  -5.349  -5.349
   13   3HG2  ILE   2          2HG2      ILE   2   1.579  -6.292  -6.292
   14   1HD1  ILE   2          1HD1      ILE   2  -0.649  -7.132  -7.132
   15   2HD1  ILE   2          3HD1      ILE   2   0.789  -7.287  -7.287
   16   3HD1  ILE   2          2HD1      ILE   2  -0.796  -7.204  -7.204
   17    H    GLY   3           H        GLY   3  -0.710  -2.826  -2.826
   18   1HA   GLY   3          2HA       GLY   3  -3.410  -2.596  -2.596
   19   2HA   GLY   3          1HA       GLY   3  -2.587  -1.594  -1.594
   20    H    ALA   4           H        ALA   4  -1.076  -0.253  -0.253
   21    HA   ALA   4           HA       ALA   4  -3.188   1.685   1.685
   22   1HB   ALA   4          3HB       ALA   4  -1.220   2.574   2.574
   23   2HB   ALA   4          2HB       ALA   4  -0.141   2.005   2.005
   24   3HB   ALA   4          1HB       ALA   4  -1.314   3.263   3.263
   25    H    VAL   5           H        VAL   5  -0.283   0.080   0.080
   26    HA   VAL   5           HA       VAL   5  -0.509   0.752   0.752
   27    HB   VAL   5           HB       VAL   5   0.406  -1.961  -1.961
   28   1HG1  VAL   5          2HG1      VAL   5   0.794  -0.567  -0.567
   29   2HG1  VAL   5          1HG1      VAL   5   2.083  -1.608  -1.608
   30   3HG1  VAL   5          3HG1      VAL   5   0.473  -2.252  -2.252
   31   1HG2  VAL   5          3HG2      VAL   5   1.566   0.054   0.054
   32   2HG2  VAL   5          2HG2      VAL   5   2.668  -0.956  -0.956
   33   3HG2  VAL   5          1HG2      VAL   5   2.090   0.555   0.555
   34    H    LEU   6           H        LEU   6  -2.499  -1.432  -1.432
   35    HA   LEU   6           HA       LEU   6  -3.597  -2.595  -2.595
   36   1HB   LEU   6          2HB       LEU   6  -4.657  -2.862  -2.862
   37   2HB   LEU   6          1HB       LEU   6  -5.066  -3.886  -3.886
   38    HG   LEU   6           HG       LEU   6  -2.139  -3.668  -3.668
   39   1HD1  LEU   6          2HD1      LEU   6  -4.282  -5.339  -5.339
   40   2HD1  LEU   6          1HD1      LEU   6  -2.572  -5.690  -5.690
   41   3HD1  LEU   6          3HD1      LEU   6  -3.199  -4.177  -4.177
   42   1HD2  LEU   6          1HD2      LEU   6  -3.824  -5.909  -5.909
   43   2HD2  LEU   6          3HD2      LEU   6  -2.687  -4.900  -4.900
   44   3HD2  LEU   6          2HD2      LEU   6  -2.107  -6.010  -6.010
   45    H    LYS   7           H        LYS   7  -4.450  -0.354  -0.354
   46    HA   LYS   7           HA       LYS   7  -7.072   0.269   0.269
   47   1HB   LYS   7          2HB       LYS   7  -5.206   1.330   1.330
   48   2HB   LYS   7          1HB       LYS   7  -5.322   2.642   2.642
   49   1HG   LYS   7          2HG       LYS   7  -8.025   1.907   1.907
   50   2HG   LYS   7          1HG       LYS   7  -7.283   1.696   1.696
   51   1HD   LYS   7          2HD       LYS   7  -6.259   4.159   4.159
   52   2HD   LYS   7          1HD       LYS   7  -7.621   4.177   4.177
   53   1HE   LYS   7          2HE       LYS   7  -8.250   5.240   5.240
   54   2HE   LYS   7          1HE       LYS   7  -9.192   3.780   3.780
   55   1HZ   LYS   7          1HZ       LYS   7  -6.834   3.049   3.049
   56   2HZ   LYS   7          3HZ       LYS   7  -7.472   4.400   4.400
   57   3HZ   LYS   7          2HZ       LYS   7  -8.430   3.028   3.028
   58    H    VAL   8           H        VAL   8  -4.181   1.536   1.536
   59    HA   VAL   8           HA       VAL   8  -5.231   3.426   3.426
   60    HB   VAL   8           HB       VAL   8  -2.848   1.659   1.659
   61   1HG1  VAL   8          2HG1      VAL   8  -3.278   4.669   4.669
   62   2HG1  VAL   8          1HG1      VAL   8  -1.845   3.855   3.855
   63   3HG1  VAL   8          3HG1      VAL   8  -3.385   3.620   3.620
   64   1HG2  VAL   8          1HG2      VAL   8  -3.040   3.374   3.374
   65   2HG2  VAL   8          3HG2      VAL   8  -2.234   1.829   1.829
   66   3HG2  VAL   8          2HG2      VAL   8  -1.514   3.296   3.296
   67    H    LEU   9           H        LEU   9  -4.936  -0.022  -0.022
   68    HA   LEU   9           HA       LEU   9  -6.028  -0.058  -0.058
   69   1HB   LEU   9          2HB       LEU   9  -5.733  -2.631  -2.631
   70   2HB   LEU   9          1HB       LEU   9  -5.244  -2.217  -2.217
   71    HG   LEU   9           HG       LEU   9  -3.713  -1.294  -1.294
   72   1HD1  LEU   9          1HD1      LEU   9  -3.253  -3.692  -3.692
   73   2HD1  LEU   9          3HD1      LEU   9  -2.135  -3.078  -3.078
   74   3HD1  LEU   9          2HD1      LEU   9  -3.697  -3.706  -3.706
   75   1HD2  LEU   9          1HD2      LEU   9  -3.362   0.020   0.020
   76   2HD2  LEU   9          3HD2      LEU   9  -1.924  -0.804  -0.804
   77   3HD2  LEU   9          2HD2      LEU   9  -2.841  -1.468  -1.468
   78    H    THR  10           H        THR  10  -7.567   0.584   0.584
   79    HA   THR  10           HA       THR  10  -9.769  -1.418  -1.418
   80    HB   THR  10           HB       THR  10  -9.981   0.657   0.657
   81    HG1  THR  10           HG1      THR  10  -7.726  -0.884  -0.884
   82   1HG2  THR  10          1HG2      THR  10 -10.252  -2.399  -2.399
   83   2HG2  THR  10          3HG2      THR  10 -10.491  -1.424  -1.424
   84   3HG2  THR  10          2HG2      THR  10 -11.573  -1.242  -1.242
   85    H    THR  11           H        THR  11  -8.834   1.658   1.658
   86    HA   THR  11           HA       THR  11 -11.643   2.472   2.472
   87    HB   THR  11           HB       THR  11  -9.116   4.163   4.163
   88    HG1  THR  11           HG1      THR  11 -11.778   4.218   4.218
   89   1HG2  THR  11          2HG2      THR  11 -11.839   5.022   5.022
   90   2HG2  THR  11          1HG2      THR  11 -10.725   6.128   6.128
   91   3HG2  THR  11          3HG2      THR  11 -10.265   5.347   5.347
   92    H    GLY  12           H        GLY  12  -8.323   3.145   3.145
   93   1HA   GLY  12          2HA       GLY  12  -9.082   2.042   2.042
   94   2HA   GLY  12          1HA       GLY  12  -8.511   3.711   3.711
   95    H    LEU  13           H        LEU  13  -6.485   3.867   3.867
   96    HA   LEU  13           HA       LEU  13  -4.401   2.286   2.286
   97   1HB   LEU  13          2HB       LEU  13  -5.324   1.716   1.716
   98   2HB   LEU  13          1HB       LEU  13  -3.594   1.988   1.988
   99    HG   LEU  13           HG       LEU  13  -4.813   0.138   0.138
  100   1HD1  LEU  13          3HD1      LEU  13  -5.821  -0.471  -0.471
  101   2HD1  LEU  13          2HD1      LEU  13  -4.189  -0.812  -0.812
  102   3HD1  LEU  13          1HD1      LEU  13  -4.879  -1.730  -1.730
  103   1HD2  LEU  13          3HD2      LEU  13  -2.224   0.109   0.109
  104   2HD2  LEU  13          2HD2      LEU  13  -2.385   0.697   0.697
  105   3HD2  LEU  13          1HD2      LEU  13  -2.638  -0.998  -0.998
  106    HA   PRO  14           HA       DPR  14  -2.324   6.047   6.047
  107   1HB   PRO  14          2HB       DPR  14  -3.108   7.543   7.543
  108   2HB   PRO  14          1HB       DPR  14  -4.592   7.853   7.853
  109   1HG   PRO  14          2HG       DPR  14  -4.095   5.792   5.792
  110   2HG   PRO  14          1HG       DPR  14  -5.604   6.548   6.548
  111   1HD   PRO  14          2HD       DPR  14  -4.898   3.942   3.942
  112   2HD   PRO  14          1HD       DPR  14  -6.050   4.964   4.964
  113    H    ALA  15           H        ALA  15  -2.096   5.898   5.898
  114    HA   ALA  15           HA       ALA  15  -3.191   8.293   8.293
  115   1HB   ALA  15          2HB       ALA  15  -0.795   8.107   8.107
  116   2HB   ALA  15          1HB       ALA  15  -0.823   6.584   6.584
  117   3HB   ALA  15          3HB       ALA  15  -1.292   8.095   8.095
  118    H    LEU  16           H        LEU  16  -3.392   4.854   4.854
  119    HA   LEU  16           HA       LEU  16  -3.766   4.405   4.405
  120   1HB   LEU  16          2HB       LEU  16  -4.957   3.167   3.167
  121   2HB   LEU  16          1HB       LEU  16  -5.510   2.629   2.629
  122    HG   LEU  16           HG       LEU  16  -3.558   1.317   1.317
  123   1HD1  LEU  16          3HD1      LEU  16  -4.189   1.133   1.133
  124   2HD1  LEU  16          2HD1      LEU  16  -3.104   2.459   2.459
  125   3HD1  LEU  16          1HD1      LEU  16  -2.465   0.949   0.949
  126   1HD2  LEU  16          2HD2      LEU  16  -2.136   3.179   3.179
  127   2HD2  LEU  16          1HD2      LEU  16  -1.282   2.166   2.166
  128   3HD2  LEU  16          3HD2      LEU  16  -1.895   3.714   3.714
  129    H    ILE  17           H        ILE  17  -6.086   5.364   5.364
  130    HA   ILE  17           HA       ILE  17  -8.413   5.537   5.537
  131    HB   ILE  17           HB       ILE  17  -8.289   7.559   7.559
  132   1HG1  ILE  17          2HG1      ILE  17  -8.254   5.740   5.740
  133   2HG1  ILE  17          1HG1      ILE  17  -7.564   4.653   4.653
  134   1HG2  ILE  17          1HG2      ILE  17 -10.367   6.638   6.638
  135   2HG2  ILE  17          3HG2      ILE  17  -9.953   5.040   5.040
  136   3HG2  ILE  17          2HG2      ILE  17 -10.270   6.365   6.365
  137   1HD1  ILE  17          1HD1      ILE  17  -6.052   7.142   7.142
  138   2HD1  ILE  17          3HD1      ILE  17  -6.233   6.678   6.678
  139   3HD1  ILE  17          2HD1      ILE  17  -5.468   5.586   5.586
  140    H    SER  18           H        SER  18  -5.666   7.478   7.478
  141    HA   SER  18           HA       SER  18  -6.789   9.740   9.740
  142   1HB   SER  18          2HB       SER  18  -5.220   9.836   9.836
  143   2HB   SER  18          1HB       SER  18  -3.954   9.829   9.829
  144    HG   SER  18           HG       SER  18  -5.872  11.717  11.717
  145    H    TRP  19           H        TRP  19  -5.460   6.920   6.920
  146    HA   TRP  19           HA       TRP  19  -3.713   7.910   7.910
  147   1HB   TRP  19          2HB       TRP  19  -3.249   5.872   5.872
  148   2HB   TRP  19          1HB       TRP  19  -3.866   4.928   4.928
  149    HD1  TRP  19           HD1      TRP  19  -0.798   6.118   6.118
  150    HE1  TRP  19           HE1      TRP  19   1.108   6.288   6.288
  151    HE3  TRP  19           HE3      TRP  19  -3.512   5.787   5.787
  152    HZ2  TRP  19           HZ2      TRP  19   1.413   6.271   6.271
  153    HZ3  TRP  19           HZ3      TRP  19  -2.308   5.860   5.860
  154    HH2  TRP  19           HH2      TRP  19   0.150   6.103   6.103
  155    H    ILE  20           H        ILE  20  -6.037   5.253   5.253
  156    HA   ILE  20           HA       ILE  20  -6.653   5.465   5.465
  157    HB   ILE  20           HB       ILE  20  -6.803   3.508   3.508
  158   1HG1  ILE  20          2HG1      ILE  20  -6.869   3.096   3.096
  159   2HG1  ILE  20          1HG1      ILE  20  -5.406   3.385   3.385
  160   1HG2  ILE  20          3HG2      ILE  20  -9.123   3.769   3.769
  161   2HG2  ILE  20          2HG2      ILE  20  -8.846   2.329   2.329
  162   3HG2  ILE  20          1HG2      ILE  20  -9.240   3.863   3.863
  163   1HD1  ILE  20          1HD1      ILE  20  -6.070   1.380   1.380
  164   2HD1  ILE  20          3HD1      ILE  20  -7.288   1.015   1.015
  165   3HD1  ILE  20          2HD1      ILE  20  -5.594   1.014   1.014
  166    H    LYS  21           H        LYS  21  -8.446   5.972   5.972
  167    HA   LYS  21           HA       LYS  21 -10.864   6.619   6.619
  168   1HB   LYS  21          2HB       LYS  21  -9.991   6.611   6.611
  169   2HB   LYS  21          1HB       LYS  21 -10.951   8.030   8.030
  170   1HG   LYS  21          2HG       LYS  21 -12.868   6.783   6.783
  171   2HG   LYS  21          1HG       LYS  21 -11.958   5.387   5.387
  172   1HD   LYS  21          2HD       LYS  21 -11.329   4.825   4.825
  173   2HD   LYS  21          1HD       LYS  21 -12.142   6.242   6.242
  174   1HE   LYS  21          2HE       LYS  21 -13.746   4.268   4.268
  175   2HE   LYS  21          1HE       LYS  21 -13.321   3.797   3.797
  176   1HZ   LYS  21          3HZ       LYS  21 -14.299   6.432   6.432
  177   2HZ   LYS  21          2HZ       LYS  21 -15.376   5.529   5.529
  178   3HZ   LYS  21          1HZ       LYS  21 -15.008   5.026   5.026
  179    H    ARG  22           H        ARG  22  -7.956   8.263   8.263
  180    HA   ARG  22           HA       ARG  22  -9.061  10.953  10.953
  181   1HB   ARG  22          2HB       ARG  22  -7.084  10.320  10.320
  182   2HB   ARG  22          1HB       ARG  22  -6.159  10.005  10.005
  183   1HG   ARG  22          2HG       ARG  22  -6.462  12.430  12.430
  184   2HG   ARG  22          1HG       ARG  22  -7.345  12.723  12.723
  185   1HD   ARG  22          2HD       ARG  22  -5.421  11.831  11.831
  186   2HD   ARG  22          1HD       ARG  22  -4.474  11.642  11.642
  187    HE   ARG  22           HE       ARG  22  -4.714  14.169  14.169
  188   1HH1  ARG  22          1HH2      ARG  22  -4.220  12.406  12.406
  189   2HH1  ARG  22          2HH2      ARG  22  -3.826  13.787  13.787
  190   1HH2  ARG  22          2HH1      ARG  22  -4.500  16.070  16.070
  191   2HH2  ARG  22          1HH1      ARG  22  -4.038  15.909  15.909
  192    H    LYS  23           H        LYS  23  -7.883   8.245   8.245
  193    HA   LYS  23           HA       LYS  23  -7.317   9.700   9.700
  194   1HB   LYS  23          2HB       LYS  23  -6.007   7.621   7.621
  195   2HB   LYS  23          1HB       LYS  23  -7.345   6.662   6.662
  196   1HG   LYS  23          2HG       LYS  23  -6.324   8.559   8.559
  197   2HG   LYS  23          1HG       LYS  23  -5.049   7.560   7.560
  198   1HD   LYS  23          2HD       LYS  23  -5.895   6.343   6.343
  199   2HD   LYS  23          1HD       LYS  23  -6.531   5.516   5.516
  200   1HE   LYS  23          2HE       LYS  23  -8.722   6.415   6.415
  201   2HE   LYS  23          1HE       LYS  23  -8.162   7.725   7.725
  202   1HZ   LYS  23          2HZ       LYS  23  -7.539   5.278   5.278
  203   2HZ   LYS  23          1HZ       LYS  23  -9.173   5.264   5.264
  204   3HZ   LYS  23          3HZ       LYS  23  -8.565   6.535   6.535
  205    H    ARG  24           H        ARG  24  -9.720   7.599   7.599
  206    HA   ARG  24           HA       ARG  24 -11.278   7.415   7.415
  207   1HB   ARG  24          2HB       ARG  24 -11.069   5.635   5.635
  208   2HB   ARG  24          1HB       ARG  24 -12.127   6.639   6.639
  209   1HG   ARG  24          2HG       ARG  24 -13.182   6.202   6.202
  210   2HG   ARG  24          1HG       ARG  24 -12.908   4.699   4.699
  211   1HD   ARG  24          2HD       ARG  24 -14.347   5.465   5.465
  212   2HD   ARG  24          1HD       ARG  24 -14.476   7.065   7.065
  213    HE   ARG  24           HE       ARG  24 -15.762   6.055   6.055
  214   1HH1  ARG  24          2HH1      ARG  24 -14.890   3.354   3.354
  215   2HH1  ARG  24          1HH1      ARG  24 -16.152   2.474   2.474
  216   1HH2  ARG  24          1HH2      ARG  24 -17.469   5.536   5.536
  217   2HH2  ARG  24          2HH2      ARG  24 -17.746   3.836   3.836
  218    H    GLN  25           H        GLN  25 -11.042   9.671   9.671
  219    HA   GLN  25           HA       GLN  25 -13.795  10.722  10.722
  220   1HB   GLN  25          2HB       GLN  25 -11.714  11.296  11.296
  221   2HB   GLN  25          1HB       GLN  25 -13.153  12.275  12.275
  222   1HG   GLN  25          2HG       GLN  25 -14.601  10.260  10.260
  223   2HG   GLN  25          1HG       GLN  25 -13.176   9.257   9.257
  224   1HE2  GLN  25          2HE2      GLN  25 -12.613  10.463  10.463
  225   2HE2  GLN  25          1HE2      GLN  25 -11.847   9.736   9.736
  226    H    GLN  26           H        GLN  26 -11.110  10.976  10.976
  227    HA   GLN  26           HA       GLN  26 -11.367  13.908  13.908
  228   1HB   GLN  26          2HB       GLN  26  -9.109  12.861  12.861
  229   2HB   GLN  26          1HB       GLN  26  -8.864  12.315  12.315
  230   1HG   GLN  26          2HG       GLN  26  -9.176  14.754  14.754
  231   2HG   GLN  26          1HG       GLN  26  -9.239  15.214  15.214
  232   1HE2  GLN  26          2HE2      GLN  26  -5.676  13.841  13.841
  233   2HE2  GLN  26          1HE2      GLN  26  -7.119  13.124  13.124
  234   1HN   NH2  27          1HT       GLN  26 -11.590  14.441  14.441
  235   2HN   NH2  27          2HT       GLN  26 -11.767  13.214  13.214

  Start of MODEL   16
    1   1H    GLY   1          2H        GLY   1   5.043   3.849   3.849
    2   2H    GLY   1          1H        GLY   1   5.523   3.869   3.869
    3   3H    GLY   1          3H        GLY   1   6.625   3.402   3.402
    4   1HA   GLY   1          2HA       GLY   1   5.955   1.277   1.277
    5   2HA   GLY   1          1HA       GLY   1   4.781   1.768   1.768
    6    H    ILE   2           H        ILE   2   3.710  -0.105  -0.105
    7    HA   ILE   2           HA       ILE   2   2.239   1.456   1.456
    8    HB   ILE   2           HB       ILE   2   1.683  -0.935  -0.935
    9   1HG1  ILE   2          2HG1      ILE   2   4.330  -1.572  -1.572
   10   2HG1  ILE   2          1HG1      ILE   2   2.753  -2.005  -2.005
   11   1HG2  ILE   2          3HG2      ILE   2   3.119   0.709   0.709
   12   2HG2  ILE   2          2HG2      ILE   2   4.516   0.221   0.221
   13   3HG2  ILE   2          1HG2      ILE   2   3.778  -0.903  -0.903
   14   1HD1  ILE   2          3HD1      ILE   2   3.426  -2.890  -2.890
   15   2HD1  ILE   2          2HD1      ILE   2   4.085  -3.767  -3.767
   16   3HD1  ILE   2          1HD1      ILE   2   2.350  -3.612  -3.612
   17    H    GLY   3           H        GLY   3   0.922   2.215   2.215
   18   1HA   GLY   3          2HA       GLY   3  -1.079   0.232   0.232
   19   2HA   GLY   3          1HA       GLY   3  -0.934   1.914   1.914
   20    H    ALA   4           H        ALA   4  -2.145   3.458   3.458
   21    HA   ALA   4           HA       ALA   4  -4.436   3.085   3.085
   22   1HB   ALA   4          1HB       ALA   4  -3.500   5.332   5.332
   23   2HB   ALA   4          3HB       ALA   4  -2.418   5.252   5.252
   24   3HB   ALA   4          2HB       ALA   4  -4.151   5.315   5.315
   25    H    VAL   5           H        VAL   5  -1.348   3.214   3.214
   26    HA   VAL   5           HA       VAL   5  -1.655   3.153   3.153
   27    HB   VAL   5           HB       VAL   5   0.275   1.215   1.215
   28   1HG1  VAL   5          3HG1      VAL   5   0.155   1.702   1.702
   29   2HG1  VAL   5          2HG1      VAL   5   0.873   3.253   3.253
   30   3HG1  VAL   5          1HG1      VAL   5   1.723   1.769   1.769
   31   1HG2  VAL   5          2HG2      VAL   5   0.277   4.256   4.256
   32   2HG2  VAL   5          1HG2      VAL   5   0.586   3.078   3.078
   33   3HG2  VAL   5          3HG2      VAL   5   1.786   3.366   3.366
   34    H    LEU   6           H        LEU   6  -2.510   0.477   0.477
   35    HA   LEU   6           HA       LEU   6  -2.707  -1.368  -1.368
   36   1HB   LEU   6          2HB       LEU   6  -3.550  -1.875  -1.875
   37   2HB   LEU   6          1HB       LEU   6  -3.188  -3.065  -3.065
   38    HG   LEU   6           HG       LEU   6  -1.156  -1.116  -1.116
   39   1HD1  LEU   6          3HD1      LEU   6  -1.918  -2.994  -2.994
   40   2HD1  LEU   6          2HD1      LEU   6  -1.337  -4.138  -4.138
   41   3HD1  LEU   6          1HD1      LEU   6  -0.219  -3.056  -3.056
   42   1HD2  LEU   6          1HD2      LEU   6  -0.905  -3.130  -3.130
   43   2HD2  LEU   6          3HD2      LEU   6  -0.267  -1.495  -1.495
   44   3HD2  LEU   6          2HD2      LEU   6   0.478  -2.784  -2.784
   45    H    LYS   7           H        LYS   7  -4.760   0.856   0.856
   46    HA   LYS   7           HA       LYS   7  -7.185  -0.699  -0.699
   47   1HB   LYS   7          2HB       LYS   7  -6.753   0.934   0.934
   48   2HB   LYS   7          1HB       LYS   7  -7.521   2.059   2.059
   49   1HG   LYS   7          2HG       LYS   7  -9.313   1.028   1.028
   50   2HG   LYS   7          1HG       LYS   7  -9.353   0.328   0.328
   51   1HD   LYS   7          2HD       LYS   7  -8.072  -1.665  -1.665
   52   2HD   LYS   7          1HD       LYS   7  -8.018  -0.939  -0.939
   53   1HE   LYS   7          2HE       LYS   7 -10.501  -1.014  -1.014
   54   2HE   LYS   7          1HE       LYS   7 -10.570  -1.688  -1.688
   55   1HZ   LYS   7          2HZ       LYS   7  -8.795  -3.239  -3.239
   56   2HZ   LYS   7          1HZ       LYS   7 -10.238  -3.066  -3.066
   57   3HZ   LYS   7          3HZ       LYS   7 -10.280  -3.712  -3.712
   58    H    VAL   8           H        VAL   8  -5.202   1.958   1.958
   59    HA   VAL   8           HA       VAL   8  -6.982   3.319   3.319
   60    HB   VAL   8           HB       VAL   8  -4.018   3.104   3.104
   61   1HG1  VAL   8          3HG1      VAL   8  -5.665   4.709   4.709
   62   2HG1  VAL   8          2HG1      VAL   8  -5.824   5.539   5.539
   63   3HG1  VAL   8          1HG1      VAL   8  -4.273   5.503   5.503
   64   1HG2  VAL   8          1HG2      VAL   8  -5.138   4.227   4.227
   65   2HG2  VAL   8          3HG2      VAL   8  -3.755   3.168   3.168
   66   3HG2  VAL   8          2HG2      VAL   8  -3.647   4.850   4.850
   67    H    LEU   9           H        LEU   9  -4.989   0.529   0.529
   68    HA   LEU   9           HA       LEU   9  -5.320   0.115   0.115
   69   1HB   LEU   9          2HB       LEU   9  -4.833  -2.231  -2.231
   70   2HB   LEU   9          1HB       LEU   9  -4.074  -1.835  -1.835
   71    HG   LEU   9           HG       LEU   9  -3.483  -0.428  -0.428
   72   1HD1  LEU   9          2HD1      LEU   9  -1.904  -2.474  -2.474
   73   2HD1  LEU   9          1HD1      LEU   9  -1.339  -1.596  -1.596
   74   3HD1  LEU   9          3HD1      LEU   9  -2.687  -2.709  -2.709
   75   1HD2  LEU   9          1HD2      LEU   9  -2.236  -0.129  -0.129
   76   2HD2  LEU   9          3HD2      LEU   9  -3.090   1.106   1.106
   77   3HD2  LEU   9          2HD2      LEU   9  -1.546   0.518   0.518
   78    H    THR  10           H        THR  10  -7.480  -0.021  -0.021
   79    HA   THR  10           HA       THR  10  -9.106  -2.204  -2.204
   80    HB   THR  10           HB       THR  10 -10.028  -0.730  -0.730
   81    HG1  THR  10           HG1      THR  10  -7.573  -1.938  -1.938
   82   1HG2  THR  10          3HG2      THR  10  -9.696  -3.704  -3.704
   83   2HG2  THR  10          2HG2      THR  10 -10.525  -3.056  -3.056
   84   3HG2  THR  10          1HG2      THR  10 -11.195  -2.805  -2.805
   85    H    THR  11           H        THR  11  -8.575   1.031   1.031
   86    HA   THR  11           HA       THR  11 -11.423   1.552   1.552
   87    HB   THR  11           HB       THR  11  -9.480   3.840   3.840
   88    HG1  THR  11           HG1      THR  11 -10.158   1.848   1.848
   89   1HG2  THR  11          3HG2      THR  11 -11.933   4.213   4.213
   90   2HG2  THR  11          2HG2      THR  11 -12.432   3.377   3.377
   91   3HG2  THR  11          1HG2      THR  11 -11.543   4.888   4.888
   92    H    GLY  12           H        GLY  12  -8.007   2.233   2.233
   93   1HA   GLY  12          2HA       GLY  12  -8.857   2.405   2.405
   94   2HA   GLY  12          1HA       GLY  12  -7.686   3.538   3.538
   95    H    LEU  13           H        LEU  13  -5.720   2.988   2.988
   96    HA   LEU  13           HA       LEU  13  -4.378   0.571   0.571
   97   1HB   LEU  13          2HB       LEU  13  -5.633   0.731   0.731
   98   2HB   LEU  13          1HB       LEU  13  -3.906   0.442   0.442
   99    HG   LEU  13           HG       LEU  13  -5.383  -1.246  -1.246
  100   1HD1  LEU  13          3HD1      LEU  13  -5.851  -1.558  -1.558
  101   2HD1  LEU  13          2HD1      LEU  13  -6.310  -2.719  -2.719
  102   3HD1  LEU  13          1HD1      LEU  13  -7.052  -1.133  -1.133
  103   1HD2  LEU  13          1HD2      LEU  13  -2.914  -1.461  -1.461
  104   2HD2  LEU  13          3HD2      LEU  13  -3.860  -2.930  -2.930
  105   3HD2  LEU  13          2HD2      LEU  13  -3.498  -2.062  -2.062
  106    HA   PRO  14           HA       DPR  14  -1.246   3.643   3.643
  107   1HB   PRO  14          2HB       DPR  14  -1.483   5.029   5.029
  108   2HB   PRO  14          1HB       DPR  14  -3.133   5.489   5.489
  109   1HG   PRO  14          2HG       DPR  14  -2.178   2.872   2.872
  110   2HG   PRO  14          1HG       DPR  14  -3.549   3.873   3.873
  111   1HD   PRO  14          2HD       DPR  14  -3.941   1.727   1.727
  112   2HD   PRO  14          1HD       DPR  14  -4.869   3.215   3.215
  113    H    ALA  15           H        ALA  15  -1.477   3.947   3.947
  114    HA   ALA  15           HA       ALA  15  -2.209   6.785   6.785
  115   1HB   ALA  15          1HB       ALA  15   0.135   5.784   5.784
  116   2HB   ALA  15          3HB       ALA  15  -0.601   5.017   5.017
  117   3HB   ALA  15          2HB       ALA  15  -0.596   6.766   6.766
  118    H    LEU  16           H        LEU  16  -3.163   3.552   3.552
  119    HA   LEU  16           HA       LEU  16  -4.190   3.707   3.707
  120   1HB   LEU  16          2HB       LEU  16  -5.030   2.406   2.406
  121   2HB   LEU  16          1HB       LEU  16  -6.237   2.398   2.398
  122    HG   LEU  16           HG       LEU  16  -4.644   0.446   0.446
  123   1HD1  LEU  16          2HD1      LEU  16  -5.191   2.075   2.075
  124   2HD1  LEU  16          1HD1      LEU  16  -4.261   0.589   0.589
  125   3HD1  LEU  16          3HD1      LEU  16  -5.888   0.546   0.546
  126   1HD2  LEU  16          2HD2      LEU  16  -2.517   1.730   1.730
  127   2HD2  LEU  16          1HD2      LEU  16  -2.427   0.561   0.561
  128   3HD2  LEU  16          3HD2      LEU  16  -2.584   2.264   2.264
  129    H    ILE  17           H        ILE  17  -5.841   5.098   5.098
  130    HA   ILE  17           HA       ILE  17  -8.214   5.827   5.827
  131    HB   ILE  17           HB       ILE  17  -7.796   7.907   7.907
  132   1HG1  ILE  17          2HG1      ILE  17  -7.010   6.839   6.839
  133   2HG1  ILE  17          1HG1      ILE  17  -6.440   5.459   5.459
  134   1HG2  ILE  17          2HG2      ILE  17  -9.809   6.560   6.560
  135   2HG2  ILE  17          1HG2      ILE  17  -8.988   5.181   5.181
  136   3HG2  ILE  17          3HG2      ILE  17  -9.286   6.637   6.637
  137   1HD1  ILE  17          3HD1      ILE  17  -5.561   8.221   8.221
  138   2HD1  ILE  17          2HD1      ILE  17  -4.873   7.578   7.578
  139   3HD1  ILE  17          1HD1      ILE  17  -4.666   6.701   6.701
  140    H    SER  18           H        SER  18  -5.096   7.373   7.373
  141    HA   SER  18           HA       SER  18  -6.045   9.647   9.647
  142   1HB   SER  18          2HB       SER  18  -3.475   9.075   9.075
  143   2HB   SER  18          1HB       SER  18  -3.487  10.327  10.327
  144    HG   SER  18           HG       SER  18  -4.437  10.590  10.590
  145    H    TRP  19           H        TRP  19  -5.287   6.659   6.659
  146    HA   TRP  19           HA       TRP  19  -3.695   7.263   7.263
  147   1HB   TRP  19          2HB       TRP  19  -3.292   5.242   5.242
  148   2HB   TRP  19          1HB       TRP  19  -4.413   4.392   4.392
  149    HD1  TRP  19           HD1      TRP  19  -0.976   4.338   4.338
  150    HE1  TRP  19           HE1      TRP  19   0.464   3.783   3.783
  151    HE3  TRP  19           HE3      TRP  19  -4.362   5.315   5.315
  152    HZ2  TRP  19           HZ2      TRP  19   0.211   3.772   3.772
  153    HZ3  TRP  19           HZ3      TRP  19  -3.677   4.998   4.998
  154    HH2  TRP  19           HH2      TRP  19  -1.390   4.225   4.225
  155    H    ILE  20           H        ILE  20  -6.380   4.976   4.976
  156    HA   ILE  20           HA       ILE  20  -7.298   5.516   5.516
  157    HB   ILE  20           HB       ILE  20  -7.610   3.426   3.426
  158   1HG1  ILE  20          2HG1      ILE  20  -7.658   3.256   3.256
  159   2HG1  ILE  20          1HG1      ILE  20  -6.196   3.177   3.177
  160   1HG2  ILE  20          2HG2      ILE  20  -9.830   4.207   4.207
  161   2HG2  ILE  20          1HG2      ILE  20  -9.740   2.621   2.621
  162   3HG2  ILE  20          3HG2      ILE  20  -9.860   4.090   4.090
  163   1HD1  ILE  20          1HD1      ILE  20  -7.232   1.174   1.174
  164   2HD1  ILE  20          3HD1      ILE  20  -8.485   1.177   1.177
  165   3HD1  ILE  20          2HD1      ILE  20  -6.814   0.895   0.895
  166    H    LYS  21           H        LYS  21  -8.405   6.043   6.043
  167    HA   LYS  21           HA       LYS  21 -10.977   7.035   7.035
  168   1HB   LYS  21          2HB       LYS  21  -9.671   6.634   6.634
  169   2HB   LYS  21          1HB       LYS  21 -10.219   8.288   8.288
  170   1HG   LYS  21          2HG       LYS  21 -12.433   6.911   6.911
  171   2HG   LYS  21          1HG       LYS  21 -11.776   5.743   5.743
  172   1HD   LYS  21          2HD       LYS  21 -11.714   7.611   7.611
  173   2HD   LYS  21          1HD       LYS  21 -12.522   8.640   8.640
  174   1HE   LYS  21          2HE       LYS  21 -14.574   7.801   7.801
  175   2HE   LYS  21          1HE       LYS  21 -14.055   6.157   6.157
  176   1HZ   LYS  21          1HZ       LYS  21 -12.940   6.985   6.985
  177   2HZ   LYS  21          3HZ       LYS  21 -14.576   7.392   7.392
  178   3HZ   LYS  21          2HZ       LYS  21 -14.088   5.789   5.789
  179    H    ARG  22           H        ARG  22  -7.797   8.394   8.394
  180    HA   ARG  22           HA       ARG  22  -8.627  11.174  11.174
  181   1HB   ARG  22          2HB       ARG  22  -6.356  10.583  10.583
  182   2HB   ARG  22          1HB       ARG  22  -6.026   9.734   9.734
  183   1HG   ARG  22          2HG       ARG  22  -6.071  11.851  11.851
  184   2HG   ARG  22          1HG       ARG  22  -6.714  12.719  12.719
  185   1HD   ARG  22          2HD       ARG  22  -4.557  13.299  13.299
  186   2HD   ARG  22          1HD       ARG  22  -4.286  11.628  11.628
  187    HE   ARG  22           HE       ARG  22  -3.901  12.551  12.551
  188   1HH1  ARG  22          1HH2      ARG  22  -3.491   9.805   9.805
  189   2HH1  ARG  22          2HH2      ARG  22  -1.791   9.656   9.656
  190   1HH2  ARG  22          2HH1      ARG  22  -1.436  13.116  13.116
  191   2HH2  ARG  22          1HH1      ARG  22  -0.530  11.691  11.691
  192    H    LYS  23           H        LYS  23  -7.362   8.926   8.926
  193    HA   LYS  23           HA       LYS  23  -7.736  10.386  10.386
  194   1HB   LYS  23          2HB       LYS  23  -6.679   8.014   8.014
  195   2HB   LYS  23          1HB       LYS  23  -8.288   7.371   7.371
  196   1HG   LYS  23          2HG       LYS  23  -7.095   9.227   9.227
  197   2HG   LYS  23          1HG       LYS  23  -6.708   7.531   7.531
  198   1HD   LYS  23          2HD       LYS  23  -9.556   8.654   8.654
  199   2HD   LYS  23          1HD       LYS  23  -8.572   8.136   8.136
  200   1HE   LYS  23          2HE       LYS  23  -8.417   5.819   5.819
  201   2HE   LYS  23          1HE       LYS  23  -9.614   6.361   6.361
  202   1HZ   LYS  23          3HZ       LYS  23 -10.554   6.962   6.962
  203   2HZ   LYS  23          2HZ       LYS  23 -10.081   5.335   5.335
  204   3HZ   LYS  23          1HZ       LYS  23 -11.216   5.902   5.902
  205    H    ARG  24           H        ARG  24  -9.964   8.135   8.135
  206    HA   ARG  24           HA       ARG  24 -12.147   8.435   8.435
  207   1HB   ARG  24          2HB       ARG  24 -11.655   7.180   7.180
  208   2HB   ARG  24          1HB       ARG  24 -12.902   8.330   8.330
  209   1HG   ARG  24          2HG       ARG  24 -13.787   7.198   7.198
  210   2HG   ARG  24          1HG       ARG  24 -13.027   5.855   5.855
  211   1HD   ARG  24          2HD       ARG  24 -14.946   5.629   5.629
  212   2HD   ARG  24          1HD       ARG  24 -14.571   7.119   7.119
  213    HE   ARG  24           HE       ARG  24 -15.839   8.349   8.349
  214   1HH1  ARG  24          1HH2      ARG  24 -16.510   7.180   7.180
  215   2HH1  ARG  24          2HH2      ARG  24 -17.839   6.107   6.107
  216   1HH2  ARG  24          2HH1      ARG  24 -17.302   6.082   6.082
  217   2HH2  ARG  24          1HH1      ARG  24 -18.318   5.412   5.412
  218    H    GLN  25           H        GLN  25 -11.025  10.861  10.861
  219    HA   GLN  25           HA       GLN  25 -13.583  12.344  12.344
  220   1HB   GLN  25          2HB       GLN  25 -11.353  12.187  12.187
  221   2HB   GLN  25          1HB       GLN  25 -11.814  13.836  13.836
  222   1HG   GLN  25          2HG       GLN  25 -14.063  11.886  11.886
  223   2HG   GLN  25          1HG       GLN  25 -13.059  12.310  12.310
  224   1HE2  GLN  25          2HE2      GLN  25 -14.554  15.708  15.708
  225   2HE2  GLN  25          1HE2      GLN  25 -13.549  14.705  14.705
  226    H    GLN  26           H        GLN  26 -10.961  12.095  12.095
  227    HA   GLN  26           HA       GLN  26 -11.063  14.988  14.988
  228   1HB   GLN  26          2HB       GLN  26  -8.733  13.016  13.016
  229   2HB   GLN  26          1HB       GLN  26  -8.683  14.547  14.547
  230   1HG   GLN  26          2HG       GLN  26  -9.365  15.555  15.555
  231   2HG   GLN  26          1HG       GLN  26  -8.686  14.043  14.043
  232   1HE2  GLN  26          2HE2      GLN  26  -6.124  16.886  16.886
  233   2HE2  GLN  26          1HE2      GLN  26  -7.771  17.214  17.214
  234   1HN   NH2  27          1HT       GLN  26 -10.198  15.157  15.157
  235   2HN   NH2  27          2HT       GLN  26 -10.966  14.097  14.097

  Start of MODEL   17
    1   1H    GLY   1          2H        GLY   1   2.168  -5.469  -5.469
    2   2H    GLY   1          1H        GLY   1   3.671  -5.212  -5.212
    3   3H    GLY   1          3H        GLY   1   2.700  -6.533  -6.533
    4   1HA   GLY   1          2HA       GLY   1   1.645  -5.265  -5.265
    5   2HA   GLY   1          1HA       GLY   1   2.655  -3.885  -3.885
    6    H    ILE   2           H        ILE   2   0.030  -3.270  -3.270
    7    HA   ILE   2           HA       ILE   2  -1.143  -2.878  -2.878
    8    HB   ILE   2           HB       ILE   2  -3.395  -3.035  -3.035
    9   1HG1  ILE   2          2HG1      ILE   2  -1.886  -4.359  -4.359
   10   2HG1  ILE   2          1HG1      ILE   2  -2.327  -2.669  -2.669
   11   1HG2  ILE   2          1HG2      ILE   2  -2.233  -4.960  -4.960
   12   2HG2  ILE   2          3HG2      ILE   2  -1.790  -5.594  -5.594
   13   3HG2  ILE   2          2HG2      ILE   2  -3.479  -5.426  -5.426
   14   1HD1  ILE   2          1HD1      ILE   2  -4.741  -3.330  -3.330
   15   2HD1  ILE   2          3HD1      ILE   2  -4.241  -5.013  -5.013
   16   3HD1  ILE   2          2HD1      ILE   2  -4.048  -4.008  -4.008
   17    H    GLY   3           H        GLY   3  -3.199  -1.410  -1.410
   18   1HA   GLY   3          2HA       GLY   3  -3.422   0.788   0.788
   19   2HA   GLY   3          1HA       GLY   3  -1.675   1.007   1.007
   20    H    ALA   4           H        ALA   4  -0.971   1.054   1.054
   21    HA   ALA   4           HA       ALA   4  -2.722   2.866   2.866
   22   1HB   ALA   4          1HB       ALA   4   0.286   2.461   2.461
   23   2HB   ALA   4          3HB       ALA   4  -0.428   3.241   3.241
   24   3HB   ALA   4          2HB       ALA   4  -0.636   3.941   3.941
   25    H    VAL   5           H        VAL   5  -0.482   0.208   0.208
   26    HA   VAL   5           HA       VAL   5  -0.654  -0.504  -0.504
   27    HB   VAL   5           HB       VAL   5  -1.001  -2.716  -2.716
   28   1HG1  VAL   5          2HG1      VAL   5  -0.567  -3.191  -3.191
   29   2HG1  VAL   5          1HG1      VAL   5   1.031  -2.497  -2.497
   30   3HG1  VAL   5          3HG1      VAL   5   0.557  -3.929  -3.929
   31   1HG2  VAL   5          2HG2      VAL   5   1.354  -0.783  -0.783
   32   2HG2  VAL   5          1HG2      VAL   5   0.565  -1.349  -1.349
   33   3HG2  VAL   5          3HG2      VAL   5   1.597  -2.423  -2.423
   34    H    LEU   6           H        LEU   6  -3.289  -1.046  -1.046
   35    HA   LEU   6           HA       LEU   6  -4.755  -2.537  -2.537
   36   1HB   LEU   6          2HB       LEU   6  -6.414  -2.931  -2.931
   37   2HB   LEU   6          1HB       LEU   6  -4.886  -3.144  -3.144
   38    HG   LEU   6           HG       LEU   6  -6.533  -0.627  -0.627
   39   1HD1  LEU   6          2HD1      LEU   6  -6.359  -2.865  -2.865
   40   2HD1  LEU   6          1HD1      LEU   6  -7.178  -1.337  -1.337
   41   3HD1  LEU   6          3HD1      LEU   6  -7.767  -2.433  -2.433
   42   1HD2  LEU   6          2HD2      LEU   6  -3.964  -1.444  -1.444
   43   2HD2  LEU   6          1HD2      LEU   6  -4.405   0.129   0.129
   44   3HD2  LEU   6          3HD2      LEU   6  -5.056  -0.388  -0.388
   45    H    LYS   7           H        LYS   7  -4.785   0.657   0.657
   46    HA   LYS   7           HA       LYS   7  -7.185   1.726   1.726
   47   1HB   LYS   7          2HB       LYS   7  -4.483   3.101   3.101
   48   2HB   LYS   7          1HB       LYS   7  -5.992   3.945   3.945
   49   1HG   LYS   7          2HG       LYS   7  -6.148   2.008   2.008
   50   2HG   LYS   7          1HG       LYS   7  -4.839   3.130   3.130
   51   1HD   LYS   7          2HD       LYS   7  -6.484   4.355   4.355
   52   2HD   LYS   7          1HD       LYS   7  -6.626   4.987   4.987
   53   1HE   LYS   7          2HE       LYS   7  -8.454   3.269   3.269
   54   2HE   LYS   7          1HE       LYS   7  -8.333   2.767   2.767
   55   1HZ   LYS   7          2HZ       LYS   7  -8.631   5.569   5.569
   56   2HZ   LYS   7          1HZ       LYS   7  -9.784   4.904   4.904
   57   3HZ   LYS   7          3HZ       LYS   7  -9.718   4.414   4.414
   58    H    VAL   8           H        VAL   8  -4.013   1.344   1.344
   59    HA   VAL   8           HA       VAL   8  -4.144   2.559   2.559
   60    HB   VAL   8           HB       VAL   8  -2.757  -0.050  -0.050
   61   1HG1  VAL   8          1HG1      VAL   8  -2.819   0.406   0.406
   62   2HG1  VAL   8          3HG1      VAL   8  -1.781   1.792   1.792
   63   3HG1  VAL   8          2HG1      VAL   8  -1.249   0.170   0.170
   64   1HG2  VAL   8          1HG2      VAL   8  -2.178   1.979   1.979
   65   2HG2  VAL   8          3HG2      VAL   8  -0.805   1.360   1.360
   66   3HG2  VAL   8          2HG2      VAL   8  -1.640   2.798   2.798
   67    H    LEU   9           H        LEU   9  -5.161  -0.626  -0.626
   68    HA   LEU   9           HA       LEU   9  -6.292  -1.246  -1.246
   69   1HB   LEU   9          2HB       LEU   9  -6.672  -3.055  -3.055
   70   2HB   LEU   9          1HB       LEU   9  -6.373  -3.466  -3.466
   71    HG   LEU   9           HG       LEU   9  -4.289  -2.213  -2.213
   72   1HD1  LEU   9          1HD1      LEU   9  -4.896  -4.446  -4.446
   73   2HD1  LEU   9          3HD1      LEU   9  -4.576  -5.100  -5.100
   74   3HD1  LEU   9          2HD1      LEU   9  -3.266  -4.411  -4.411
   75   1HD2  LEU   9          3HD2      LEU   9  -4.040  -3.443  -3.443
   76   2HD2  LEU   9          2HD2      LEU   9  -3.844  -1.743  -1.743
   77   3HD2  LEU   9          1HD2      LEU   9  -2.687  -2.917  -2.917
   78    H    THR  10           H        THR  10  -7.535   0.602   0.602
   79    HA   THR  10           HA       THR  10 -10.320  -0.506  -0.506
   80    HB   THR  10           HB       THR  10 -10.386   1.459   1.459
   81    HG1  THR  10           HG1      THR  10  -8.078  -0.218  -0.218
   82   1HG2  THR  10          1HG2      THR  10 -10.211  -1.608  -1.608
   83   2HG2  THR  10          3HG2      THR  10 -10.470  -0.629  -0.629
   84   3HG2  THR  10          2HG2      THR  10 -11.666  -0.635  -0.635
   85    H    THR  11           H        THR  11  -8.221   2.288   2.288
   86    HA   THR  11           HA       THR  11 -10.451   3.949   3.949
   87    HB   THR  11           HB       THR  11  -8.631   4.653   4.653
   88    HG1  THR  11           HG1      THR  11  -9.331   5.809   5.809
   89   1HG2  THR  11          3HG2      THR  11  -6.668   3.773   3.773
   90   2HG2  THR  11          2HG2      THR  11  -6.980   5.169   5.169
   91   3HG2  THR  11          1HG2      THR  11  -6.518   5.396   5.396
   92    H    GLY  12           H        GLY  12  -8.148   1.885   1.885
   93   1HA   GLY  12          2HA       GLY  12  -8.754   1.449   1.449
   94   2HA   GLY  12          1HA       GLY  12  -8.133   3.077   3.077
   95    H    LEU  13           H        LEU  13  -5.966   3.444   3.444
   96    HA   LEU  13           HA       LEU  13  -3.960   1.603   1.603
   97   1HB   LEU  13          2HB       LEU  13  -4.921   1.321   1.321
   98   2HB   LEU  13          1HB       LEU  13  -3.194   1.645   1.645
   99    HG   LEU  13           HG       LEU  13  -4.320  -0.424  -0.424
  100   1HD1  LEU  13          2HD1      LEU  13  -4.031  -0.785  -0.785
  101   2HD1  LEU  13          1HD1      LEU  13  -3.925  -2.133  -2.133
  102   3HD1  LEU  13          3HD1      LEU  13  -5.396  -1.191  -1.191
  103   1HD2  LEU  13          3HD2      LEU  13  -1.837   0.399   0.399
  104   2HD2  LEU  13          2HD2      LEU  13  -2.140  -1.323  -1.323
  105   3HD2  LEU  13          1HD2      LEU  13  -1.787  -0.553  -0.553
  106    HA   PRO  14           HA       DPR  14  -1.915   5.546   5.546
  107   1HB   PRO  14          2HB       DPR  14  -2.945   6.823   6.823
  108   2HB   PRO  14          1HB       DPR  14  -4.569   6.450   6.450
  109   1HG   PRO  14          2HG       DPR  14  -2.612   4.554   4.554
  110   2HG   PRO  14          1HG       DPR  14  -4.298   4.853   4.853
  111   1HD   PRO  14          2HD       DPR  14  -3.574   2.760   2.760
  112   2HD   PRO  14          1HD       DPR  14  -5.093   3.610   3.610
  113    H    ALA  15           H        ALA  15  -1.972   5.736   5.736
  114    HA   ALA  15           HA       ALA  15  -3.520   8.164   8.164
  115   1HB   ALA  15          2HB       ALA  15  -1.063   8.265   8.265
  116   2HB   ALA  15          1HB       ALA  15  -1.096   6.975   6.975
  117   3HB   ALA  15          3HB       ALA  15  -1.853   8.529   8.529
  118    H    LEU  16           H        LEU  16  -3.502   4.796   4.796
  119    HA   LEU  16           HA       LEU  16  -4.067   4.642   4.642
  120   1HB   LEU  16          2HB       LEU  16  -5.034   3.203   3.203
  121   2HB   LEU  16          1HB       LEU  16  -5.938   2.914   2.914
  122    HG   LEU  16           HG       LEU  16  -3.929   1.389   1.389
  123   1HD1  LEU  16          1HD1      LEU  16  -4.506   2.738   2.738
  124   2HD1  LEU  16          3HD1      LEU  16  -3.210   1.558   1.558
  125   3HD1  LEU  16          2HD1      LEU  16  -4.843   1.091   1.091
  126   1HD2  LEU  16          1HD2      LEU  16  -2.258   3.187   3.187
  127   2HD2  LEU  16          3HD2      LEU  16  -1.706   2.051   2.051
  128   3HD2  LEU  16          2HD2      LEU  16  -2.231   3.645   3.645
  129    H    ILE  17           H        ILE  17  -6.371   5.658   5.658
  130    HA   ILE  17           HA       ILE  17  -8.677   5.845   5.845
  131    HB   ILE  17           HB       ILE  17  -8.407   8.078   8.078
  132   1HG1  ILE  17          2HG1      ILE  17  -8.637   6.319   6.319
  133   2HG1  ILE  17          1HG1      ILE  17  -7.922   5.177   5.177
  134   1HG2  ILE  17          3HG2      ILE  17 -10.545   7.244   7.244
  135   2HG2  ILE  17          2HG2      ILE  17 -10.341   5.743   5.743
  136   3HG2  ILE  17          1HG2      ILE  17 -10.536   7.266   7.266
  137   1HD1  ILE  17          3HD1      ILE  17  -6.265   7.524   7.524
  138   2HD1  ILE  17          2HD1      ILE  17  -6.645   7.322   7.322
  139   3HD1  ILE  17          1HD1      ILE  17  -5.869   6.026   6.026
  140    H    SER  18           H        SER  18  -5.974   8.027   8.027
  141    HA   SER  18           HA       SER  18  -7.264   9.936   9.936
  142   1HB   SER  18          2HB       SER  18  -4.826  10.146  10.146
  143   2HB   SER  18          1HB       SER  18  -5.141  11.349  11.349
  144    HG   SER  18           HG       SER  18  -6.460  10.938  10.938
  145    H    TRP  19           H        TRP  19  -5.663   7.238   7.238
  146    HA   TRP  19           HA       TRP  19  -3.862   8.066   8.066
  147   1HB   TRP  19          2HB       TRP  19  -3.373   6.325   6.325
  148   2HB   TRP  19          1HB       TRP  19  -3.964   5.173   5.173
  149    HD1  TRP  19           HD1      TRP  19  -0.897   5.904   5.904
  150    HE1  TRP  19           HE1      TRP  19   1.078   5.846   5.846
  151    HE3  TRP  19           HE3      TRP  19  -3.446   6.394   6.394
  152    HZ2  TRP  19           HZ2      TRP  19   1.483   5.993   5.993
  153    HZ3  TRP  19           HZ3      TRP  19  -2.122   6.456   6.456
  154    HH2  TRP  19           HH2      TRP  19   0.333   6.243   6.243
  155    H    ILE  20           H        ILE  20  -6.150   5.322   5.322
  156    HA   ILE  20           HA       ILE  20  -6.699   5.324   5.324
  157    HB   ILE  20           HB       ILE  20  -6.912   3.432   3.432
  158   1HG1  ILE  20          2HG1      ILE  20  -6.645   3.019   3.019
  159   2HG1  ILE  20          1HG1      ILE  20  -5.294   3.218   3.218
  160   1HG2  ILE  20          3HG2      ILE  20  -8.995   3.602   3.602
  161   2HG2  ILE  20          2HG2      ILE  20  -8.752   2.156   2.156
  162   3HG2  ILE  20          1HG2      ILE  20  -9.265   3.665   3.665
  163   1HD1  ILE  20          1HD1      ILE  20  -6.293   1.169   1.169
  164   2HD1  ILE  20          3HD1      ILE  20  -7.251   0.915   0.915
  165   3HD1  ILE  20          2HD1      ILE  20  -5.506   0.865   0.865
  166    H    LYS  21           H        LYS  21  -8.514   5.749   5.749
  167    HA   LYS  21           HA       LYS  21 -10.962   6.265   6.265
  168   1HB   LYS  21          2HB       LYS  21 -10.103   6.238   6.238
  169   2HB   LYS  21          1HB       LYS  21 -10.879   7.785   7.785
  170   1HG   LYS  21          2HG       LYS  21 -12.811   6.586   6.586
  171   2HG   LYS  21          1HG       LYS  21 -12.068   5.043   5.043
  172   1HD   LYS  21          2HD       LYS  21 -12.123   5.650   5.650
  173   2HD   LYS  21          1HD       LYS  21 -12.818   7.214   7.214
  174   1HE   LYS  21          2HE       LYS  21 -14.736   5.879   5.879
  175   2HE   LYS  21          1HE       LYS  21 -14.090   4.463   4.463
  176   1HZ   LYS  21          3HZ       LYS  21 -14.312   6.531   6.531
  177   2HZ   LYS  21          2HZ       LYS  21 -15.764   6.452   6.452
  178   3HZ   LYS  21          1HZ       LYS  21 -15.159   5.076   5.076
  179    H    ARG  22           H        ARG  22  -8.127   8.046   8.046
  180    HA   ARG  22           HA       ARG  22  -9.490  10.626  10.626
  181   1HB   ARG  22          2HB       ARG  22  -7.362  10.568  10.568
  182   2HB   ARG  22          1HB       ARG  22  -6.545   9.802   9.802
  183   1HG   ARG  22          2HG       ARG  22  -5.950  12.129  12.129
  184   2HG   ARG  22          1HG       ARG  22  -6.982  11.871  11.871
  185   1HD   ARG  22          2HD       ARG  22  -8.932  12.796  12.796
  186   2HD   ARG  22          1HD       ARG  22  -7.987  12.902  12.902
  187    HE   ARG  22           HE       ARG  22  -7.332  14.489  14.489
  188   1HH1  ARG  22          1HH2      ARG  22  -5.328  14.742  14.742
  189   2HH1  ARG  22          2HH2      ARG  22  -5.763  16.029  16.029
  190   1HH2  ARG  22          2HH1      ARG  22  -9.151  15.663  15.663
  191   2HH2  ARG  22          1HH1      ARG  22  -8.237  16.634  16.634
  192    H    LYS  23           H        LYS  23  -7.033   8.793   8.793
  193    HA   LYS  23           HA       LYS  23  -7.586  10.101  10.101
  194   1HB   LYS  23          2HB       LYS  23  -6.221   8.418   8.418
  195   2HB   LYS  23          1HB       LYS  23  -5.528   8.710   8.710
  196   1HG   LYS  23          2HG       LYS  23  -6.510   6.658   6.658
  197   2HG   LYS  23          1HG       LYS  23  -7.342   6.343   6.343
  198   1HD   LYS  23          2HD       LYS  23  -5.377   5.834   5.834
  199   2HD   LYS  23          1HD       LYS  23  -4.350   6.774   6.774
  200   1HE   LYS  23          2HE       LYS  23  -4.851   5.001   5.001
  201   2HE   LYS  23          1HE       LYS  23  -5.572   4.037   4.037
  202   1HZ   LYS  23          1HZ       LYS  23  -3.028   4.853   4.853
  203   2HZ   LYS  23          3HZ       LYS  23  -2.825   4.298   4.298
  204   3HZ   LYS  23          2HZ       LYS  23  -3.515   3.296   3.296
  205    H    ARG  24           H        ARG  24  -9.211   7.324   7.324
  206    HA   ARG  24           HA       ARG  24 -10.627   6.640   6.640
  207   1HB   ARG  24          2HB       ARG  24 -10.318   5.354   5.354
  208   2HB   ARG  24          1HB       ARG  24 -11.851   6.109   6.109
  209   1HG   ARG  24          2HG       ARG  24 -11.582   4.711   4.711
  210   2HG   ARG  24          1HG       ARG  24 -11.511   3.690   3.690
  211   1HD   ARG  24          2HD       ARG  24 -13.703   4.651   4.651
  212   2HD   ARG  24          1HD       ARG  24 -13.763   5.690   5.690
  213    HE   ARG  24           HE       ARG  24 -13.918   3.577   3.577
  214   1HH1  ARG  24          2HH1      ARG  24 -13.396   1.397   1.397
  215   2HH1  ARG  24          1HH1      ARG  24 -14.875   0.872   0.872
  216   1HH2  ARG  24          1HH2      ARG  24 -16.288   4.090   4.090
  217   2HH2  ARG  24          2HH2      ARG  24 -16.667   2.535   2.535
  218    H    GLN  25           H        GLN  25 -10.911   9.210   9.210
  219    HA   GLN  25           HA       GLN  25 -13.711   9.850   9.850
  220   1HB   GLN  25          2HB       GLN  25 -11.851  10.856  10.856
  221   2HB   GLN  25          1HB       GLN  25 -13.253  11.785  11.785
  222   1HG   GLN  25          2HG       GLN  25 -14.702   9.784   9.784
  223   2HG   GLN  25          1HG       GLN  25 -13.263   8.971   8.971
  224   1HE2  GLN  25          2HE2      GLN  25 -14.795  10.662  10.662
  225   2HE2  GLN  25          1HE2      GLN  25 -15.188   9.361   9.361
  226    H    GLN  26           H        GLN  26 -10.476  11.164  11.164
  227    HA   GLN  26           HA       GLN  26 -11.350  13.295  13.295
  228   1HB   GLN  26          2HB       GLN  26  -8.867  13.333  13.333
  229   2HB   GLN  26          1HB       GLN  26  -9.560  14.683  14.683
  230   1HG   GLN  26          2HG       GLN  26 -11.666  14.439  14.439
  231   2HG   GLN  26          1HG       GLN  26 -10.819  13.181  13.181
  232   1HE2  GLN  26          2HE2      GLN  26  -9.183  16.908  16.908
  233   2HE2  GLN  26          1HE2      GLN  26  -9.655  16.400  16.400
  234   1HN   NH2  27          1HT       GLN  26 -11.050  11.430  11.430
  235   2HN   NH2  27          2HT       GLN  26  -9.486  11.224  11.224

  Start of MODEL   18
    1   1H    GLY   1          1H        GLY   1   5.195  -1.461  -1.461
    2   2H    GLY   1          3H        GLY   1   5.762  -1.353  -1.353
    3   3H    GLY   1          2H        GLY   1   6.397  -2.533  -2.533
    4   1HA   GLY   1          2HA       GLY   1   4.793  -3.974  -3.974
    5   2HA   GLY   1          1HA       GLY   1   4.140  -2.749  -2.749
    6    H    ILE   2           H        ILE   2   2.112  -4.096  -4.096
    7    HA   ILE   2           HA       ILE   2   1.371  -2.474  -2.474
    8    HB   ILE   2           HB       ILE   2  -0.329  -4.425  -4.425
    9   1HG1  ILE   2          2HG1      ILE   2   0.384  -6.599  -6.599
   10   2HG1  ILE   2          1HG1      ILE   2   1.576  -5.836  -5.836
   11   1HG2  ILE   2          2HG2      ILE   2   2.689  -4.831  -4.831
   12   2HG2  ILE   2          1HG2      ILE   2   1.499  -5.831  -5.831
   13   3HG2  ILE   2          3HG2      ILE   2   1.624  -4.130  -4.130
   14   1HD1  ILE   2          1HD1      ILE   2  -1.265  -4.835  -4.835
   15   2HD1  ILE   2          3HD1      ILE   2  -0.933  -6.439  -6.439
   16   3HD1  ILE   2          2HD1      ILE   2  -0.074  -5.074  -5.074
   17    H    GLY   3           H        GLY   3   0.647  -2.873  -2.873
   18   1HA   GLY   3          2HA       GLY   3  -1.958  -2.715  -2.715
   19   2HA   GLY   3          1HA       GLY   3  -0.825  -1.619  -1.619
   20    H    ALA   4           H        ALA   4  -0.300   0.212   0.212
   21    HA   ALA   4           HA       ALA   4  -2.966   1.492   1.492
   22   1HB   ALA   4          3HB       ALA   4  -0.214   2.714   2.714
   23   2HB   ALA   4          2HB       ALA   4  -1.740   3.557   3.557
   24   3HB   ALA   4          1HB       ALA   4  -1.320   2.831   2.831
   25    H    VAL   5           H        VAL   5  -1.084  -0.329  -0.329
   26    HA   VAL   5           HA       VAL   5  -1.267   1.227   1.227
   27    HB   VAL   5           HB       VAL   5  -0.229  -1.643  -1.643
   28   1HG1  VAL   5          3HG1      VAL   5  -0.853  -0.734  -0.734
   29   2HG1  VAL   5          2HG1      VAL   5   0.547   0.311   0.311
   30   3HG1  VAL   5          1HG1      VAL   5   0.740  -1.437  -1.437
   31   1HG2  VAL   5          3HG2      VAL   5   1.338   0.988   0.988
   32   2HG2  VAL   5          2HG2      VAL   5   1.149  -0.142  -0.142
   33   3HG2  VAL   5          1HG2      VAL   5   2.082  -0.599  -0.599
   34    H    LEU   6           H        LEU   6  -2.212  -1.928  -1.928
   35    HA   LEU   6           HA       LEU   6  -3.950  -2.898  -2.898
   36   1HB   LEU   6          2HB       LEU   6  -4.484  -2.776  -2.776
   37   2HB   LEU   6          1HB       LEU   6  -5.361  -3.808  -3.808
   38    HG   LEU   6           HG       LEU   6  -2.377  -3.921  -3.921
   39   1HD1  LEU   6          2HD1      LEU   6  -4.662  -5.855  -5.855
   40   2HD1  LEU   6          1HD1      LEU   6  -2.966  -6.215  -6.215
   41   3HD1  LEU   6          3HD1      LEU   6  -3.737  -4.943  -4.943
   42   1HD2  LEU   6          1HD2      LEU   6  -4.025  -5.175  -5.175
   43   2HD2  LEU   6          3HD2      LEU   6  -2.354  -4.631  -4.631
   44   3HD2  LEU   6          2HD2      LEU   6  -2.763  -6.147  -6.147
   45    H    LYS   7           H        LYS   7  -5.048  -0.764  -0.764
   46    HA   LYS   7           HA       LYS   7  -7.637  -0.259  -0.259
   47   1HB   LYS   7          2HB       LYS   7  -7.179   2.206   2.206
   48   2HB   LYS   7          1HB       LYS   7  -7.249   0.848   0.848
   49   1HG   LYS   7          2HG       LYS   7  -4.888   0.769   0.769
   50   2HG   LYS   7          1HG       LYS   7  -4.585   1.718   1.718
   51   1HD   LYS   7          2HD       LYS   7  -4.255   3.309   3.309
   52   2HD   LYS   7          1HD       LYS   7  -5.902   3.636   3.636
   53   1HE   LYS   7          2HE       LYS   7  -6.770   2.264   2.264
   54   2HE   LYS   7          1HE       LYS   7  -5.128   1.865   1.865
   55   1HZ   LYS   7          2HZ       LYS   7  -5.375   4.682   4.682
   56   2HZ   LYS   7          1HZ       LYS   7  -6.627   4.106   4.106
   57   3HZ   LYS   7          3HZ       LYS   7  -5.024   3.746   3.746
   58    H    VAL   8           H        VAL   8  -4.734   1.528   1.528
   59    HA   VAL   8           HA       VAL   8  -6.028   3.305   3.305
   60    HB   VAL   8           HB       VAL   8  -3.300   1.904   1.904
   61   1HG1  VAL   8          2HG1      VAL   8  -4.464   4.242   4.242
   62   2HG1  VAL   8          1HG1      VAL   8  -2.721   4.017   4.017
   63   3HG1  VAL   8          3HG1      VAL   8  -3.679   2.811   2.811
   64   1HG2  VAL   8          2HG2      VAL   8  -3.702   3.262   3.262
   65   2HG2  VAL   8          1HG2      VAL   8  -2.439   3.923   3.923
   66   3HG2  VAL   8          3HG2      VAL   8  -4.034   4.656   4.656
   67    H    LEU   9           H        LEU   9  -4.810   0.093   0.093
   68    HA   LEU   9           HA       LEU   9  -5.666  -0.180  -0.180
   69   1HB   LEU   9          2HB       LEU   9  -5.501  -2.541  -2.541
   70   2HB   LEU   9          1HB       LEU   9  -5.138  -2.511  -2.511
   71    HG   LEU   9           HG       LEU   9  -3.498  -1.034  -1.034
   72   1HD1  LEU   9          1HD1      LEU   9  -3.558  -3.645  -3.645
   73   2HD1  LEU   9          3HD1      LEU   9  -2.619  -3.596  -3.596
   74   3HD1  LEU   9          2HD1      LEU   9  -2.003  -2.836  -2.836
   75   1HD2  LEU   9          3HD2      LEU   9  -2.994  -1.740  -1.740
   76   2HD2  LEU   9          2HD2      LEU   9  -3.200  -0.126  -0.126
   77   3HD2  LEU   9          1HD2      LEU   9  -1.772  -1.057  -1.057
   78    H    THR  10           H        THR  10  -7.447  -0.095  -0.095
   79    HA   THR  10           HA       THR  10  -9.730  -1.575  -1.575
   80    HB   THR  10           HB       THR  10 -10.433  -0.785  -0.785
   81    HG1  THR  10           HG1      THR  10  -7.696  -1.538  -1.538
   82   1HG2  THR  10          3HG2      THR  10  -9.375  -3.453  -3.453
   83   2HG2  THR  10          2HG2      THR  10 -10.193  -3.232  -3.232
   84   3HG2  THR  10          1HG2      THR  10 -11.070  -2.968  -2.968
   85    H    THR  11           H        THR  11  -8.484   1.252   1.252
   86    HA   THR  11           HA       THR  11 -11.084   2.734   2.734
   87    HB   THR  11           HB       THR  11  -8.631   4.488   4.488
   88    HG1  THR  11           HG1      THR  11  -8.668   2.402   2.402
   89   1HG2  THR  11          2HG2      THR  11 -11.022   5.245   5.245
   90   2HG2  THR  11          1HG2      THR  11 -10.902   4.280   4.280
   91   3HG2  THR  11          3HG2      THR  11  -9.835   5.651   5.651
   92    H    GLY  12           H        GLY  12  -7.767   2.891   2.891
   93   1HA   GLY  12          2HA       GLY  12  -8.915   2.609   2.609
   94   2HA   GLY  12          1HA       GLY  12  -8.079   4.132   4.132
   95    H    LEU  13           H        LEU  13  -6.281   3.945   3.945
   96    HA   LEU  13           HA       LEU  13  -4.178   2.102   2.102
   97   1HB   LEU  13          2HB       LEU  13  -5.524   1.908   1.908
   98   2HB   LEU  13          1HB       LEU  13  -3.768   1.885   1.885
   99    HG   LEU  13           HG       LEU  13  -5.209   0.061   0.061
  100   1HD1  LEU  13          3HD1      LEU  13  -4.872  -0.324  -0.324
  101   2HD1  LEU  13          2HD1      LEU  13  -5.095  -1.666  -1.666
  102   3HD1  LEU  13          1HD1      LEU  13  -6.339  -0.439  -0.439
  103   1HD2  LEU  13          3HD2      LEU  13  -2.499   0.552   0.552
  104   2HD2  LEU  13          2HD2      LEU  13  -3.156  -0.894  -0.894
  105   3HD2  LEU  13          1HD2      LEU  13  -2.819  -0.863  -0.863
  106    HA   PRO  14           HA       DPR  14  -1.886   5.849   5.849
  107   1HB   PRO  14          2HB       DPR  14  -2.536   7.446   7.446
  108   2HB   PRO  14          1HB       DPR  14  -4.196   7.525   7.525
  109   1HG   PRO  14          2HG       DPR  14  -2.904   5.343   5.343
  110   2HG   PRO  14          1HG       DPR  14  -4.456   6.138   6.138
  111   1HD   PRO  14          2HD       DPR  14  -4.412   3.742   3.742
  112   2HD   PRO  14          1HD       DPR  14  -5.490   5.024   5.024
  113    H    ALA  15           H        ALA  15  -1.761   5.897   5.897
  114    HA   ALA  15           HA       ALA  15  -3.087   8.310   8.310
  115   1HB   ALA  15          1HB       ALA  15  -0.572   8.119   8.119
  116   2HB   ALA  15          3HB       ALA  15  -0.742   6.820   6.820
  117   3HB   ALA  15          2HB       ALA  15  -1.309   8.440   8.440
  118    H    LEU  16           H        LEU  16  -3.230   4.878   4.878
  119    HA   LEU  16           HA       LEU  16  -3.730   4.503   4.503
  120   1HB   LEU  16          2HB       LEU  16  -4.739   3.256   3.256
  121   2HB   LEU  16          1HB       LEU  16  -5.568   2.812   2.812
  122    HG   LEU  16           HG       LEU  16  -3.546   1.372   1.372
  123   1HD1  LEU  16          3HD1      LEU  16  -3.850   2.490   2.490
  124   2HD1  LEU  16          2HD1      LEU  16  -2.823   1.115   1.115
  125   3HD1  LEU  16          1HD1      LEU  16  -4.544   1.018   1.018
  126   1HD2  LEU  16          1HD2      LEU  16  -1.944   3.206   3.206
  127   2HD2  LEU  16          3HD2      LEU  16  -1.322   2.044   2.044
  128   3HD2  LEU  16          2HD2      LEU  16  -1.893   3.595   3.595
  129    H    ILE  17           H        ILE  17  -6.061   5.541   5.541
  130    HA   ILE  17           HA       ILE  17  -8.325   5.689   5.689
  131    HB   ILE  17           HB       ILE  17  -8.816   7.645   7.645
  132   1HG1  ILE  17          2HG1      ILE  17  -7.653   7.321   7.321
  133   2HG1  ILE  17          1HG1      ILE  17  -6.535   6.191   6.191
  134   1HG2  ILE  17          3HG2      ILE  17  -9.912   5.436   5.436
  135   2HG2  ILE  17          2HG2      ILE  17  -8.506   4.718   4.718
  136   3HG2  ILE  17          1HG2      ILE  17  -9.499   5.883   5.883
  137   1HD1  ILE  17          1HD1      ILE  17  -6.789   8.902   8.902
  138   2HD1  ILE  17          3HD1      ILE  17  -6.002   8.790   8.790
  139   3HD1  ILE  17          2HD1      ILE  17  -5.369   7.878   7.878
  140    H    SER  18           H        SER  18  -5.586   7.806   7.806
  141    HA   SER  18           HA       SER  18  -6.921   9.750   9.750
  142   1HB   SER  18          2HB       SER  18  -4.671   9.950   9.950
  143   2HB   SER  18          1HB       SER  18  -4.616  11.045  11.045
  144    HG   SER  18           HG       SER  18  -6.285  11.151  11.151
  145    H    TRP  19           H        TRP  19  -5.384   7.085   7.085
  146    HA   TRP  19           HA       TRP  19  -3.615   8.005   8.005
  147   1HB   TRP  19          2HB       TRP  19  -3.134   6.053   6.053
  148   2HB   TRP  19          1HB       TRP  19  -3.758   5.037   5.037
  149    HD1  TRP  19           HD1      TRP  19  -0.601   5.758   5.758
  150    HE1  TRP  19           HE1      TRP  19   1.311   5.745   5.745
  151    HE3  TRP  19           HE3      TRP  19  -3.336   6.258   6.258
  152    HZ2  TRP  19           HZ2      TRP  19   1.596   5.928   5.928
  153    HZ3  TRP  19           HZ3      TRP  19  -2.137   6.339   6.339
  154    HH2  TRP  19           HH2      TRP  19   0.319   6.175   6.175
  155    H    ILE  20           H        ILE  20  -5.839   5.156   5.156
  156    HA   ILE  20           HA       ILE  20  -6.589   5.629   5.629
  157    HB   ILE  20           HB       ILE  20  -6.470   3.337   3.337
  158   1HG1  ILE  20          2HG1      ILE  20  -6.545   2.107   2.107
  159   2HG1  ILE  20          1HG1      ILE  20  -6.762   3.652   3.652
  160   1HG2  ILE  20          3HG2      ILE  20  -9.001   3.696   3.696
  161   2HG2  ILE  20          2HG2      ILE  20  -8.481   2.181   2.181
  162   3HG2  ILE  20          1HG2      ILE  20  -8.891   3.560   3.560
  163   1HD1  ILE  20          1HD1      ILE  20  -4.572   4.383   4.383
  164   2HD1  ILE  20          3HD1      ILE  20  -4.366   2.676   2.676
  165   3HD1  ILE  20          2HD1      ILE  20  -4.397   3.237   3.237
  166    H    LYS  21           H        LYS  21  -8.108   5.652   5.652
  167    HA   LYS  21           HA       LYS  21 -10.710   6.201   6.201
  168   1HB   LYS  21          2HB       LYS  21  -9.769   5.698   5.698
  169   2HB   LYS  21          1HB       LYS  21 -10.334   7.354   7.354
  170   1HG   LYS  21          2HG       LYS  21 -12.423   6.326   6.326
  171   2HG   LYS  21          1HG       LYS  21 -11.902   4.851   4.851
  172   1HD   LYS  21          2HD       LYS  21 -13.429   5.773   5.773
  173   2HD   LYS  21          1HD       LYS  21 -11.877   6.251   6.251
  174   1HE   LYS  21          2HE       LYS  21 -12.651   8.402   8.402
  175   2HE   LYS  21          1HE       LYS  21 -12.438   8.380   8.380
  176   1HZ   LYS  21          1HZ       LYS  21 -14.933   7.163   7.163
  177   2HZ   LYS  21          3HZ       LYS  21 -14.828   8.661   8.661
  178   3HZ   LYS  21          2HZ       LYS  21 -14.613   8.582   8.582
  179    H    ARG  22           H        ARG  22  -7.901   8.110   8.110
  180    HA   ARG  22           HA       ARG  22  -9.431  10.657  10.657
  181   1HB   ARG  22          2HB       ARG  22  -7.203  10.692  10.692
  182   2HB   ARG  22          1HB       ARG  22  -6.462   9.956   9.956
  183   1HG   ARG  22          2HG       ARG  22  -7.182  12.104  12.104
  184   2HG   ARG  22          1HG       ARG  22  -7.645  12.767  12.767
  185   1HD   ARG  22          2HD       ARG  22  -5.261  12.236  12.236
  186   2HD   ARG  22          1HD       ARG  22  -4.847  11.828  11.828
  187    HE   ARG  22           HE       ARG  22  -5.536  14.241  14.241
  188   1HH1  ARG  22          1HH2      ARG  22  -6.525  14.800  14.800
  189   2HH1  ARG  22          2HH2      ARG  22  -5.259  15.735  15.735
  190   1HH2  ARG  22          2HH1      ARG  22  -2.993  14.617  14.617
  191   2HH2  ARG  22          1HH1      ARG  22  -3.086  15.609  15.609
  192    H    LYS  23           H        LYS  23  -7.263   8.838   8.838
  193    HA   LYS  23           HA       LYS  23  -7.594  10.123  10.123
  194   1HB   LYS  23          2HB       LYS  23  -6.130   8.041   8.041
  195   2HB   LYS  23          1HB       LYS  23  -7.552   7.078   7.078
  196   1HG   LYS  23          2HG       LYS  23  -7.545   8.564   8.564
  197   2HG   LYS  23          1HG       LYS  23  -5.856   8.724   8.724
  198   1HD   LYS  23          2HD       LYS  23  -5.723   6.747   6.747
  199   2HD   LYS  23          1HD       LYS  23  -5.969   6.086   6.086
  200   1HE   LYS  23          2HE       LYS  23  -7.690   4.924   4.924
  201   2HE   LYS  23          1HE       LYS  23  -8.585   6.382   6.382
  202   1HZ   LYS  23          2HZ       LYS  23  -7.208   6.826   6.826
  203   2HZ   LYS  23          1HZ       LYS  23  -7.949   5.318   5.318
  204   3HZ   LYS  23          3HZ       LYS  23  -8.873   6.699   6.699
  205    H    ARG  24           H        ARG  24  -9.594   7.382   7.382
  206    HA   ARG  24           HA       ARG  24 -11.398   7.472   7.472
  207   1HB   ARG  24          2HB       ARG  24 -11.122   5.852   5.852
  208   2HB   ARG  24          1HB       ARG  24 -12.646   6.655   6.655
  209   1HG   ARG  24          2HG       ARG  24 -13.139   6.039   6.039
  210   2HG   ARG  24          1HG       ARG  24 -11.863   4.868   4.868
  211   1HD   ARG  24          2HD       ARG  24 -13.416   3.443   3.443
  212   2HD   ARG  24          1HD       ARG  24 -13.586   4.494   4.494
  213    HE   ARG  24           HE       ARG  24 -15.178   4.967   4.967
  214   1HH1  ARG  24          2HH1      ARG  24 -15.330   6.766   6.766
  215   2HH1  ARG  24          1HH1      ARG  24 -16.768   6.265   6.265
  216   1HH2  ARG  24          1HH2      ARG  24 -16.726   3.159   3.159
  217   2HH2  ARG  24          2HH2      ARG  24 -17.628   4.020   4.020
  218    H    GLN  25           H        GLN  25 -11.157   9.760   9.760
  219    HA   GLN  25           HA       GLN  25 -13.973  10.668  10.668
  220   1HB   GLN  25          2HB       GLN  25 -11.821  11.371  11.371
  221   2HB   GLN  25          1HB       GLN  25 -13.390  12.158  12.158
  222   1HG   GLN  25          2HG       GLN  25 -14.531   9.937   9.937
  223   2HG   GLN  25          1HG       GLN  25 -12.971   9.130   9.130
  224   1HE2  GLN  25          2HE2      GLN  25 -12.214  10.901  10.901
  225   2HE2  GLN  25          1HE2      GLN  25 -11.520  10.832  10.832
  226    H    GLN  26           H        GLN  26 -11.236  11.050  11.050
  227    HA   GLN  26           HA       GLN  26 -11.713  13.946  13.946
  228   1HB   GLN  26          2HB       GLN  26  -9.419  12.912  12.912
  229   2HB   GLN  26          1HB       GLN  26  -9.089  12.642  12.642
  230   1HG   GLN  26          2HG       GLN  26  -9.626  15.104  15.104
  231   2HG   GLN  26          1HG       GLN  26  -9.720  15.334  15.334
  232   1HE2  GLN  26          2HE2      GLN  26  -6.144  14.337  14.337
  233   2HE2  GLN  26          1HE2      GLN  26  -7.604  13.721  13.721
  234   1HN   NH2  27          1HT       GLN  26 -10.999  10.763  10.763
  235   2HN   NH2  27          2HT       GLN  26 -11.458  11.247  11.247

  Start of MODEL   19
    1   1H    GLY   1          3H        GLY   1   4.877   0.276   0.276
    2   2H    GLY   1          2H        GLY   1   5.229   0.624   0.624
    3   3H    GLY   1          1H        GLY   1   6.223  -0.449  -0.449
    4   1HA   GLY   1          2HA       GLY   1   4.908  -2.182  -2.182
    5   2HA   GLY   1          1HA       GLY   1   3.894  -1.062  -1.062
    6    H    ILE   2           H        ILE   2   2.467  -2.999  -2.999
    7    HA   ILE   2           HA       ILE   2   1.566  -1.697  -1.697
    8    HB   ILE   2           HB       ILE   2   0.374  -4.081  -4.081
    9   1HG1  ILE   2          2HG1      ILE   2   1.850  -5.896  -5.896
   10   2HG1  ILE   2          1HG1      ILE   2   2.790  -4.760  -4.760
   11   1HG2  ILE   2          1HG2      ILE   2   3.350  -3.588  -3.588
   12   2HG2  ILE   2          3HG2      ILE   2   2.434  -4.892  -4.892
   13   3HG2  ILE   2          2HG2      ILE   2   2.053  -3.230  -3.230
   14   1HD1  ILE   2          3HD1      ILE   2  -0.203  -4.801  -4.801
   15   2HD1  ILE   2          2HD1      ILE   2   0.714  -6.184  -6.184
   16   3HD1  ILE   2          1HD1      ILE   2   1.091  -4.607  -4.607
   17    H    GLY   3           H        GLY   3   0.493  -2.707  -2.707
   18   1HA   GLY   3          2HA       GLY   3  -2.107  -2.999  -2.999
   19   2HA   GLY   3          1HA       GLY   3  -1.280  -1.846  -1.846
   20    H    ALA   4           H        ALA   4  -0.862   0.097   0.097
   21    HA   ALA   4           HA       ALA   4  -3.642   1.192   1.192
   22   1HB   ALA   4          3HB       ALA   4  -0.902   2.574   2.574
   23   2HB   ALA   4          2HB       ALA   4  -2.439   3.396   3.396
   24   3HB   ALA   4          1HB       ALA   4  -2.020   2.663   2.663
   25    H    VAL   5           H        VAL   5  -0.680   0.887   0.887
   26    HA   VAL   5           HA       VAL   5  -1.302   1.810   1.810
   27    HB   VAL   5           HB       VAL   5   0.072  -0.882  -0.882
   28   1HG1  VAL   5          2HG1      VAL   5   0.433   1.295   1.295
   29   2HG1  VAL   5          1HG1      VAL   5   1.420  -0.154  -0.154
   30   3HG1  VAL   5          3HG1      VAL   5  -0.283  -0.285  -0.285
   31   1HG2  VAL   5          1HG2      VAL   5   1.091   1.959   1.959
   32   2HG2  VAL   5          3HG2      VAL   5   1.188   0.595   0.595
   33   3HG2  VAL   5          2HG2      VAL   5   2.194   0.639   0.639
   34    H    LEU   6           H        LEU   6  -2.003  -1.477  -1.477
   35    HA   LEU   6           HA       LEU   6  -3.342  -2.464  -2.464
   36   1HB   LEU   6          2HB       LEU   6  -4.255  -2.924  -2.924
   37   2HB   LEU   6          1HB       LEU   6  -4.582  -3.969  -3.969
   38    HG   LEU   6           HG       LEU   6  -1.758  -3.361  -3.361
   39   1HD1  LEU   6          1HD1      LEU   6  -3.550  -5.783  -5.783
   40   2HD1  LEU   6          3HD1      LEU   6  -1.838  -5.735  -5.735
   41   3HD1  LEU   6          2HD1      LEU   6  -2.943  -4.685  -4.685
   42   1HD2  LEU   6          1HD2      LEU   6  -2.800  -5.359  -5.359
   43   2HD2  LEU   6          3HD2      LEU   6  -1.759  -3.985  -3.985
   44   3HD2  LEU   6          2HD2      LEU   6  -1.159  -5.328  -5.328
   45    H    LYS   7           H        LYS   7  -4.765  -0.699  -0.699
   46    HA   LYS   7           HA       LYS   7  -7.431  -0.557  -0.557
   47   1HB   LYS   7          2HB       LYS   7  -5.993   0.570   0.570
   48   2HB   LYS   7          1HB       LYS   7  -6.088   1.983   1.983
   49   1HG   LYS   7          2HG       LYS   7  -8.636   1.623   1.623
   50   2HG   LYS   7          1HG       LYS   7  -8.444   0.389   0.389
   51   1HD   LYS   7          2HD       LYS   7  -7.344   3.207   3.207
   52   2HD   LYS   7          1HD       LYS   7  -9.017   2.834   2.834
   53   1HE   LYS   7          2HE       LYS   7  -8.498   1.387   1.387
   54   2HE   LYS   7          1HE       LYS   7  -6.885   1.042   1.042
   55   1HZ   LYS   7          3HZ       LYS   7  -7.059   3.806   3.806
   56   2HZ   LYS   7          2HZ       LYS   7  -7.649   2.964   2.964
   57   3HZ   LYS   7          1HZ       LYS   7  -6.091   2.646   2.646
   58    H    VAL   8           H        VAL   8  -4.837   1.511   1.511
   59    HA   VAL   8           HA       VAL   8  -6.247   3.298   3.298
   60    HB   VAL   8           HB       VAL   8  -3.440   2.188   2.188
   61   1HG1  VAL   8          3HG1      VAL   8  -4.483   3.799   3.799
   62   2HG1  VAL   8          2HG1      VAL   8  -4.553   4.988   4.988
   63   3HG1  VAL   8          1HG1      VAL   8  -2.996   4.379   4.379
   64   1HG2  VAL   8          1HG2      VAL   8  -4.389   4.155   4.155
   65   2HG2  VAL   8          3HG2      VAL   8  -3.369   2.747   2.747
   66   3HG2  VAL   8          2HG2      VAL   8  -2.739   4.163   4.163
   67    H    LEU   9           H        LEU   9  -4.785   0.182   0.182
   68    HA   LEU   9           HA       LEU   9  -5.622   0.127   0.127
   69   1HB   LEU   9          2HB       LEU   9  -5.108  -2.338  -2.338
   70   2HB   LEU   9          1HB       LEU   9  -4.761  -2.086  -2.086
   71    HG   LEU   9           HG       LEU   9  -3.284  -0.812  -0.812
   72   1HD1  LEU   9          3HD1      LEU   9  -2.460  -2.845  -2.845
   73   2HD1  LEU   9          2HD1      LEU   9  -1.415  -2.148  -2.148
   74   3HD1  LEU   9          1HD1      LEU   9  -2.777  -3.152  -3.152
   75   1HD2  LEU   9          1HD2      LEU   9  -3.418   0.739   0.739
   76   2HD2  LEU   9          3HD2      LEU   9  -1.790   0.209   0.209
   77   3HD2  LEU   9          2HD2      LEU   9  -2.678  -0.538  -0.538
   78    H    THR  10           H        THR  10  -7.411  -0.069  -0.069
   79    HA   THR  10           HA       THR  10  -9.483  -1.826  -1.826
   80    HB   THR  10           HB       THR  10 -10.188  -0.974  -0.974
   81    HG1  THR  10           HG1      THR  10  -7.472  -1.645  -1.645
   82   1HG2  THR  10          2HG2      THR  10  -9.213  -3.677  -3.677
   83   2HG2  THR  10          1HG2      THR  10 -10.001  -3.409  -3.409
   84   3HG2  THR  10          3HG2      THR  10 -10.895  -3.161  -3.161
   85    H    THR  11           H        THR  11  -8.468   1.143   1.143
   86    HA   THR  11           HA       THR  11 -11.182   2.385   2.385
   87    HB   THR  11           HB       THR  11  -8.838   4.274   4.274
   88    HG1  THR  11           HG1      THR  11  -8.916   2.186   2.186
   89   1HG2  THR  11          2HG2      THR  11 -11.355   4.865   4.865
   90   2HG2  THR  11          1HG2      THR  11 -11.292   4.036   4.036
   91   3HG2  THR  11          3HG2      THR  11 -10.297   5.455   5.455
   92    H    GLY  12           H        GLY  12  -7.824   2.951   2.951
   93   1HA   GLY  12          2HA       GLY  12  -8.981   2.831   2.831
   94   2HA   GLY  12          1HA       GLY  12  -8.058   4.264   4.264
   95    H    LEU  13           H        LEU  13  -6.151   4.093   4.093
   96    HA   LEU  13           HA       LEU  13  -4.229   2.065   2.065
   97   1HB   LEU  13          2HB       LEU  13  -5.743   1.709   1.709
   98   2HB   LEU  13          1HB       LEU  13  -4.029   1.874   1.874
   99    HG   LEU  13           HG       LEU  13  -5.066  -0.051  -0.051
  100   1HD1  LEU  13          1HD1      LEU  13  -5.214  -0.264  -0.264
  101   2HD1  LEU  13          3HD1      LEU  13  -4.180  -1.514  -1.514
  102   3HD1  LEU  13          2HD1      LEU  13  -5.822  -1.342  -1.342
  103   1HD2  LEU  13          1HD2      LEU  13  -2.380   0.437   0.437
  104   2HD2  LEU  13          3HD2      LEU  13  -2.735   0.419   0.419
  105   3HD2  LEU  13          2HD2      LEU  13  -2.734  -1.076  -1.076
  106    HA   PRO  14           HA       DPR  14  -1.685   5.726   5.726
  107   1HB   PRO  14          2HB       DPR  14  -2.392   7.420   7.420
  108   2HB   PRO  14          1HB       DPR  14  -4.084   7.264   7.264
  109   1HG   PRO  14          2HG       DPR  14  -2.451   5.331   5.331
  110   2HG   PRO  14          1HG       DPR  14  -4.070   5.964   5.964
  111   1HD   PRO  14          2HD       DPR  14  -3.696   3.515   3.515
  112   2HD   PRO  14          1HD       DPR  14  -5.077   4.563   4.563
  113    H    ALA  15           H        ALA  15  -1.667   5.652   5.652
  114    HA   ALA  15           HA       ALA  15  -2.979   8.041   8.041
  115   1HB   ALA  15          1HB       ALA  15  -0.500   7.892   7.892
  116   2HB   ALA  15          3HB       ALA  15  -0.648   6.454   6.454
  117   3HB   ALA  15          2HB       ALA  15  -1.238   8.007   8.007
  118    H    LEU  16           H        LEU  16  -3.276   4.614   4.614
  119    HA   LEU  16           HA       LEU  16  -3.747   4.208   4.208
  120   1HB   LEU  16          2HB       LEU  16  -4.970   3.064   3.064
  121   2HB   LEU  16          1HB       LEU  16  -5.648   2.601   2.601
  122    HG   LEU  16           HG       LEU  16  -3.757   1.106   1.106
  123   1HD1  LEU  16          1HD1      LEU  16  -4.588   1.023   1.023
  124   2HD1  LEU  16          3HD1      LEU  16  -3.496   2.320   2.320
  125   3HD1  LEU  16          2HD1      LEU  16  -2.858   0.766   0.766
  126   1HD2  LEU  16          2HD2      LEU  16  -1.957   3.374   3.374
  127   2HD2  LEU  16          1HD2      LEU  16  -2.129   2.791   2.791
  128   3HD2  LEU  16          3HD2      LEU  16  -1.447   1.755   1.755
  129    H    ILE  17           H        ILE  17  -6.060   5.376   5.376
  130    HA   ILE  17           HA       ILE  17  -8.226   5.666   5.666
  131    HB   ILE  17           HB       ILE  17  -8.407   7.842   7.842
  132   1HG1  ILE  17          2HG1      ILE  17  -8.056   6.648   6.648
  133   2HG1  ILE  17          1HG1      ILE  17  -7.264   5.335   5.335
  134   1HG2  ILE  17          1HG2      ILE  17 -10.222   6.332   6.332
  135   2HG2  ILE  17          3HG2      ILE  17  -9.541   5.039   5.039
  136   3HG2  ILE  17          2HG2      ILE  17 -10.145   6.502   6.502
  137   1HD1  ILE  17          3HD1      ILE  17  -6.224   8.096   8.096
  138   2HD1  ILE  17          2HD1      ILE  17  -6.016   7.536   7.536
  139   3HD1  ILE  17          1HD1      ILE  17  -5.316   6.630   6.630
  140    H    SER  18           H        SER  18  -5.564   7.827   7.827
  141    HA   SER  18           HA       SER  18  -6.332  10.012  10.012
  142   1HB   SER  18          2HB       SER  18  -3.478   9.474   9.474
  143   2HB   SER  18          1HB       SER  18  -4.373  10.998  10.998
  144    HG   SER  18           HG       SER  18  -4.880  10.505  10.505
  145    H    TRP  19           H        TRP  19  -5.223   7.040   7.040
  146    HA   TRP  19           HA       TRP  19  -3.790   7.905   7.905
  147   1HB   TRP  19          2HB       TRP  19  -3.172   5.939   5.939
  148   2HB   TRP  19          1HB       TRP  19  -3.970   4.958   4.958
  149    HD1  TRP  19           HD1      TRP  19  -0.728   5.671   5.671
  150    HE1  TRP  19           HE1      TRP  19   1.025   5.619   5.619
  151    HE3  TRP  19           HE3      TRP  19  -3.771   6.056   6.056
  152    HZ2  TRP  19           HZ2      TRP  19   1.149   5.714   5.714
  153    HZ3  TRP  19           HZ3      TRP  19  -2.690   6.064   6.064
  154    HH2  TRP  19           HH2      TRP  19  -0.232   5.890   5.890
  155    H    ILE  20           H        ILE  20  -6.128   5.284   5.284
  156    HA   ILE  20           HA       ILE  20  -7.106   5.561   5.561
  157    HB   ILE  20           HB       ILE  20  -7.021   3.506   3.506
  158   1HG1  ILE  20          2HG1      ILE  20  -7.218   2.039   2.039
  159   2HG1  ILE  20          1HG1      ILE  20  -7.220   3.518   3.518
  160   1HG2  ILE  20          3HG2      ILE  20  -9.531   3.805   3.805
  161   2HG2  ILE  20          2HG2      ILE  20  -9.105   2.381   2.381
  162   3HG2  ILE  20          1HG2      ILE  20  -9.420   3.924   3.924
  163   1HD1  ILE  20          1HD1      ILE  20  -5.023   4.160   4.160
  164   2HD1  ILE  20          3HD1      ILE  20  -5.027   2.644   2.644
  165   3HD1  ILE  20          2HD1      ILE  20  -4.908   2.643   2.643
  166    H    LYS  21           H        LYS  21  -8.371   6.247   6.247
  167    HA   LYS  21           HA       LYS  21 -10.983   6.767   6.767
  168   1HB   LYS  21          2HB       LYS  21  -9.870   6.569   6.569
  169   2HB   LYS  21          1HB       LYS  21 -10.458   8.207   8.207
  170   1HG   LYS  21          2HG       LYS  21 -12.549   6.907   6.907
  171   2HG   LYS  21          1HG       LYS  21 -11.917   5.579   5.579
  172   1HD   LYS  21          2HD       LYS  21 -12.067   7.112   7.112
  173   2HD   LYS  21          1HD       LYS  21 -12.660   8.376   8.376
  174   1HE   LYS  21          2HE       LYS  21 -14.563   7.476   7.476
  175   2HE   LYS  21          1HE       LYS  21 -14.583   6.817   6.817
  176   1HZ   LYS  21          1HZ       LYS  21 -13.144   5.093   5.093
  177   2HZ   LYS  21          3HZ       LYS  21 -14.708   5.403   5.403
  178   3HZ   LYS  21          2HZ       LYS  21 -14.510   4.762   4.762
  179    H    ARG  22           H        ARG  22  -8.038   8.353   8.353
  180    HA   ARG  22           HA       ARG  22  -9.176  11.044  11.044
  181   1HB   ARG  22          2HB       ARG  22  -7.040  10.194  10.194
  182   2HB   ARG  22          1HB       ARG  22  -6.271  10.320  10.320
  183   1HG   ARG  22          2HG       ARG  22  -7.667  12.736  12.736
  184   2HG   ARG  22          1HG       ARG  22  -7.297  12.436  12.436
  185   1HD   ARG  22          2HD       ARG  22  -5.189  13.189  13.189
  186   2HD   ARG  22          1HD       ARG  22  -4.872  11.825  11.825
  187    HE   ARG  22           HE       ARG  22  -5.899  13.218  13.218
  188   1HH1  ARG  22          1HH2      ARG  22  -6.783  15.326  15.326
  189   2HH1  ARG  22          2HH2      ARG  22  -5.605  16.580  16.580
  190   1HH2  ARG  22          2HH1      ARG  22  -3.359  14.281  14.281
  191   2HH2  ARG  22          1HH1      ARG  22  -3.494  15.926  15.926
  192    H    LYS  23           H        LYS  23  -7.946   8.364   8.364
  193    HA   LYS  23           HA       LYS  23  -7.666   9.981   9.981
  194   1HB   LYS  23          2HB       LYS  23  -6.089   8.094   8.094
  195   2HB   LYS  23          1HB       LYS  23  -7.375   6.974   6.974
  196   1HG   LYS  23          2HG       LYS  23  -7.296   8.455   8.455
  197   2HG   LYS  23          1HG       LYS  23  -5.672   8.753   8.753
  198   1HD   LYS  23          2HD       LYS  23  -5.702   6.850   6.850
  199   2HD   LYS  23          1HD       LYS  23  -5.217   6.327   6.327
  200   1HE   LYS  23          2HE       LYS  23  -7.232   5.175   5.175
  201   2HE   LYS  23          1HE       LYS  23  -8.175   6.201   6.201
  202   1HZ   LYS  23          3HZ       LYS  23  -6.207   4.846   4.846
  203   2HZ   LYS  23          2HZ       LYS  23  -7.012   3.718   3.718
  204   3HZ   LYS  23          1HZ       LYS  23  -7.893   4.712   4.712
  205    H    ARG  24           H        ARG  24  -9.792   7.569   7.569
  206    HA   ARG  24           HA       ARG  24 -11.417   7.047   7.047
  207   1HB   ARG  24          2HB       ARG  24 -11.395   5.781   5.781
  208   2HB   ARG  24          1HB       ARG  24 -12.356   7.077   7.077
  209   1HG   ARG  24          2HG       ARG  24 -13.464   6.077   6.077
  210   2HG   ARG  24          1HG       ARG  24 -13.269   4.781   4.781
  211   1HD   ARG  24          2HD       ARG  24 -14.902   5.628   5.628
  212   2HD   ARG  24          1HD       ARG  24 -14.535   7.305   7.305
  213    HE   ARG  24           HE       ARG  24 -15.963   5.552   5.552
  214   1HH1  ARG  24          1HH2      ARG  24 -15.213   8.315   8.315
  215   2HH1  ARG  24          2HH2      ARG  24 -16.640   9.220   9.220
  216   1HH2  ARG  24          2HH1      ARG  24 -17.892   6.557   6.557
  217   2HH2  ARG  24          1HH1      ARG  24 -18.288   8.147   8.147
  218    H    GLN  25           H        GLN  25 -11.111   9.841   9.841
  219    HA   GLN  25           HA       GLN  25 -13.781  10.925  10.925
  220   1HB   GLN  25          2HB       GLN  25 -12.962  12.919  12.919
  221   2HB   GLN  25          1HB       GLN  25 -13.334  11.435  11.435
  222   1HG   GLN  25          2HG       GLN  25 -10.870  10.857  10.857
  223   2HG   GLN  25          1HG       GLN  25 -10.557  12.372  12.372
  224   1HE2  GLN  25          2HE2      GLN  25 -11.623  12.502  12.502
  225   2HE2  GLN  25          1HE2      GLN  25 -12.183  11.215  11.215
  226    H    GLN  26           H        GLN  26 -11.000  10.552  10.552
  227    HA   GLN  26           HA       GLN  26 -11.072  13.217  13.217
  228   1HB   GLN  26          2HB       GLN  26  -8.894  11.798  11.798
  229   2HB   GLN  26          1HB       GLN  26  -8.539  11.838  11.838
  230   1HG   GLN  26          2HG       GLN  26  -9.496  14.435  14.435
  231   2HG   GLN  26          1HG       GLN  26  -7.910  13.885  13.885
  232   1HE2  GLN  26          2HE2      GLN  26  -6.608  15.268  15.268
  233   2HE2  GLN  26          1HE2      GLN  26  -6.503  15.157  15.157
  234   1HN   NH2  27          1HT       GLN  26  -9.925  12.860  12.860
  235   2HN   NH2  27          2HT       GLN  26 -10.594  11.561  11.561

  Start of MODEL   20
    1   1H    GLY   1          2H        GLY   1   5.219  -1.164  -1.164
    2   2H    GLY   1          1H        GLY   1   5.837  -0.602  -0.602
    3   3H    GLY   1          3H        GLY   1   6.535  -1.961  -1.961
    4   1HA   GLY   1          2HA       GLY   1   5.086  -3.322  -3.322
    5   2HA   GLY   1          1HA       GLY   1   4.380  -1.904  -1.904
    6    H    ILE   2           H        ILE   2   2.492  -3.694  -3.694
    7    HA   ILE   2           HA       ILE   2   1.411  -2.867  -2.867
    8    HB   ILE   2           HB       ILE   2  -0.095  -4.909  -4.909
    9   1HG1  ILE   2          2HG1      ILE   2   0.456  -5.115  -5.115
   10   2HG1  ILE   2          1HG1      ILE   2   0.383  -6.557  -6.557
   11   1HG2  ILE   2          3HG2      ILE   2   2.867  -5.076  -5.076
   12   2HG2  ILE   2          2HG2      ILE   2   1.850  -6.502  -6.502
   13   3HG2  ILE   2          1HG2      ILE   2   1.519  -5.142  -5.142
   14   1HD1  ILE   2          3HD1      ILE   2   3.150  -5.543  -5.543
   15   2HD1  ILE   2          2HD1      ILE   2   2.538  -5.829  -5.829
   16   3HD1  ILE   2          1HD1      ILE   2   2.521  -7.112  -7.112
   17    H    GLY   3           H        GLY   3   0.649  -3.106  -3.106
   18   1HA   GLY   3          2HA       GLY   3  -1.755  -2.820  -2.820
   19   2HA   GLY   3          1HA       GLY   3  -0.712  -1.484  -1.484
   20    H    ALA   4           H        ALA   4  -0.618   0.041   0.041
   21    HA   ALA   4           HA       ALA   4  -3.443   0.933   0.933
   22   1HB   ALA   4          3HB       ALA   4  -1.813   2.576   2.576
   23   2HB   ALA   4          2HB       ALA   4  -0.838   2.444   2.444
   24   3HB   ALA   4          1HB       ALA   4  -2.458   3.110   3.110
   25    H    VAL   5           H        VAL   5  -0.636  -0.032  -0.032
   26    HA   VAL   5           HA       VAL   5  -1.278   0.750   0.750
   27    HB   VAL   5           HB       VAL   5  -0.088  -1.995  -1.995
   28   1HG1  VAL   5          1HG1      VAL   5   0.306   0.018   0.018
   29   2HG1  VAL   5          3HG1      VAL   5   1.459  -1.272  -1.272
   30   3HG1  VAL   5          2HG1      VAL   5  -0.198  -1.656  -1.656
   31   1HG2  VAL   5          1HG2      VAL   5   1.229   0.744   0.744
   32   2HG2  VAL   5          3HG2      VAL   5   1.139  -0.546  -0.546
   33   3HG2  VAL   5          2HG2      VAL   5   2.167  -0.722  -0.722
   34    H    LEU   6           H        LEU   6  -2.131  -2.129  -2.129
   35    HA   LEU   6           HA       LEU   6  -3.752  -3.421  -3.421
   36   1HB   LEU   6          2HB       LEU   6  -4.007  -3.381  -3.381
   37   2HB   LEU   6          1HB       LEU   6  -4.885  -4.497  -4.497
   38    HG   LEU   6           HG       LEU   6  -1.847  -4.280  -4.280
   39   1HD1  LEU   6          2HD1      LEU   6  -3.627  -6.131  -6.131
   40   2HD1  LEU   6          1HD1      LEU   6  -1.901  -6.353  -6.353
   41   3HD1  LEU   6          3HD1      LEU   6  -2.518  -4.926  -4.926
   42   1HD2  LEU   6          1HD2      LEU   6  -3.892  -6.250  -6.250
   43   2HD2  LEU   6          3HD2      LEU   6  -2.604  -5.434  -5.434
   44   3HD2  LEU   6          2HD2      LEU   6  -2.224  -6.734  -6.734
   45    H    LYS   7           H        LYS   7  -4.438  -0.587  -0.587
   46    HA   LYS   7           HA       LYS   7  -7.346  -0.820  -0.820
   47   1HB   LYS   7          2HB       LYS   7  -5.670   1.076   1.076
   48   2HB   LYS   7          1HB       LYS   7  -7.262   1.560   1.560
   49   1HG   LYS   7          2HG       LYS   7  -7.670   0.576   0.576
   50   2HG   LYS   7          1HG       LYS   7  -8.157  -0.644  -0.644
   51   1HD   LYS   7          2HD       LYS   7  -6.076  -1.917  -1.917
   52   2HD   LYS   7          1HD       LYS   7  -5.340  -0.580  -0.580
   53   1HE   LYS   7          2HE       LYS   7  -6.065  -2.316  -2.316
   54   2HE   LYS   7          1HE       LYS   7  -6.914  -0.802  -0.802
   55   1HZ   LYS   7          1HZ       LYS   7  -8.370  -2.303  -2.303
   56   2HZ   LYS   7          3HZ       LYS   7  -8.023  -3.320  -3.320
   57   3HZ   LYS   7          2HZ       LYS   7  -8.848  -1.866  -1.866
   58    H    VAL   8           H        VAL   8  -4.435   0.820   0.820
   59    HA   VAL   8           HA       VAL   8  -5.522   2.976   2.976
   60    HB   VAL   8           HB       VAL   8  -3.140   1.117   1.117
   61   1HG1  VAL   8          3HG1      VAL   8  -3.964   3.705   3.705
   62   2HG1  VAL   8          2HG1      VAL   8  -2.310   3.093   3.093
   63   3HG1  VAL   8          1HG1      VAL   8  -3.631   2.161   2.161
   64   1HG2  VAL   8          1HG2      VAL   8  -3.040   2.467   2.467
   65   2HG2  VAL   8          3HG2      VAL   8  -1.768   2.886   2.886
   66   3HG2  VAL   8          2HG2      VAL   8  -3.170   3.926   3.926
   67    H    LEU   9           H        LEU   9  -4.934  -0.334  -0.334
   68    HA   LEU   9           HA       LEU   9  -6.123  -0.219  -0.219
   69   1HB   LEU   9          2HB       LEU   9  -6.198  -2.808  -2.808
   70   2HB   LEU   9          1HB       LEU   9  -5.711  -2.499  -2.499
   71    HG   LEU   9           HG       LEU   9  -4.070  -1.884  -1.884
   72   1HD1  LEU   9          2HD1      LEU   9  -3.723  -3.913  -3.913
   73   2HD1  LEU   9          1HD1      LEU   9  -2.561  -3.598  -3.598
   74   3HD1  LEU   9          3HD1      LEU   9  -4.145  -4.241  -4.241
   75   1HD2  LEU   9          2HD2      LEU   9  -3.844  -0.860  -0.860
   76   2HD2  LEU   9          1HD2      LEU   9  -3.044  -0.287  -0.287
   77   3HD2  LEU   9          3HD2      LEU   9  -2.382  -1.635  -1.635
   78    H    THR  10           H        THR  10  -7.788   0.371   0.371
   79    HA   THR  10           HA       THR  10 -10.215  -1.163  -1.163
   80    HB   THR  10           HB       THR  10 -10.067   0.564   0.564
   81    HG1  THR  10           HG1      THR  10  -8.348  -1.368  -1.368
   82   1HG2  THR  10          2HG2      THR  10 -12.169  -0.788  -0.788
   83   2HG2  THR  10          1HG2      THR  10 -11.190  -2.246  -2.246
   84   3HG2  THR  10          3HG2      THR  10 -11.460  -1.266  -1.266
   85    H    THR  11           H        THR  11  -8.661   1.744   1.744
   86    HA   THR  11           HA       THR  11 -11.204   3.173   3.173
   87    HB   THR  11           HB       THR  11  -8.513   4.542   4.542
   88    HG1  THR  11           HG1      THR  11 -10.527   4.311   4.311
   89   1HG2  THR  11          2HG2      THR  11 -11.480   5.371   5.371
   90   2HG2  THR  11          1HG2      THR  11 -10.294   6.246   6.246
   91   3HG2  THR  11          3HG2      THR  11 -10.131   6.179   6.179
   92    H    GLY  12           H        GLY  12  -7.705   3.200   3.200
   93   1HA   GLY  12          2HA       GLY  12  -8.637   2.903   2.903
   94   2HA   GLY  12          1HA       GLY  12  -7.753   4.382   4.382
   95    H    LEU  13           H        LEU  13  -5.702   4.275   4.275
   96    HA   LEU  13           HA       LEU  13  -3.838   2.303   2.303
   97   1HB   LEU  13          2HB       LEU  13  -5.084   1.886   1.886
   98   2HB   LEU  13          1HB       LEU  13  -3.344   2.054   2.054
   99    HG   LEU  13           HG       LEU  13  -4.417   0.263   0.263
  100   1HD1  LEU  13          3HD1      LEU  13  -4.281  -0.573  -0.573
  101   2HD1  LEU  13          2HD1      LEU  13  -4.512  -1.654  -1.654
  102   3HD1  LEU  13          1HD1      LEU  13  -5.726  -0.449  -0.449
  103   1HD2  LEU  13          3HD2      LEU  13  -1.915   0.854   0.854
  104   2HD2  LEU  13          2HD2      LEU  13  -2.319  -0.841  -0.841
  105   3HD2  LEU  13          1HD2      LEU  13  -2.061  -0.179  -0.179
  106    HA   PRO  14           HA       DPR  14  -1.483   5.928   5.928
  107   1HB   PRO  14          2HB       DPR  14  -2.072   7.406   7.406
  108   2HB   PRO  14          1HB       DPR  14  -3.734   7.586   7.586
  109   1HG   PRO  14          2HG       DPR  14  -2.532   5.258   5.258
  110   2HG   PRO  14          1HG       DPR  14  -4.056   6.092   6.092
  111   1HD   PRO  14          2HD       DPR  14  -4.092   3.791   3.791
  112   2HD   PRO  14          1HD       DPR  14  -5.108   5.144   5.144
  113    H    ALA  15           H        ALA  15  -1.630   5.937   5.937
  114    HA   ALA  15           HA       ALA  15  -2.612   8.598   8.598
  115   1HB   ALA  15          3HB       ALA  15  -0.518   6.747   6.747
  116   2HB   ALA  15          2HB       ALA  15  -0.979   8.305   8.305
  117   3HB   ALA  15          1HB       ALA  15  -0.262   8.238   8.238
  118    H    LEU  16           H        LEU  16  -3.149   5.242   5.242
  119    HA   LEU  16           HA       LEU  16  -3.944   5.037   5.037
  120   1HB   LEU  16          2HB       LEU  16  -4.921   3.880   3.880
  121   2HB   LEU  16          1HB       LEU  16  -5.937   3.610   3.610
  122    HG   LEU  16           HG       LEU  16  -4.164   1.882   1.882
  123   1HD1  LEU  16          3HD1      LEU  16  -5.192   2.620   2.620
  124   2HD1  LEU  16          2HD1      LEU  16  -3.545   3.134   3.134
  125   3HD1  LEU  16          1HD1      LEU  16  -3.881   1.459   1.459
  126   1HD2  LEU  16          2HD2      LEU  16  -2.263   3.281   3.281
  127   2HD2  LEU  16          1HD2      LEU  16  -1.833   2.297   2.297
  128   3HD2  LEU  16          3HD2      LEU  16  -2.164   3.998   3.998
  129    H    ILE  17           H        ILE  17  -5.829   6.538   6.538
  130    HA   ILE  17           HA       ILE  17  -8.293   6.918   6.918
  131    HB   ILE  17           HB       ILE  17  -7.115   9.152   9.152
  132   1HG1  ILE  17          2HG1      ILE  17  -7.924   7.518   7.518
  133   2HG1  ILE  17          1HG1      ILE  17  -7.562   6.242   6.242
  134   1HG2  ILE  17          3HG2      ILE  17  -9.520   9.116   9.116
  135   2HG2  ILE  17          2HG2      ILE  17  -9.776   7.695   7.695
  136   3HG2  ILE  17          1HG2      ILE  17  -9.337   9.224   9.224
  137   1HD1  ILE  17          2HD1      ILE  17  -5.320   8.064   8.064
  138   2HD1  ILE  17          1HD1      ILE  17  -5.723   7.862   7.862
  139   3HD1  ILE  17          3HD1      ILE  17  -5.318   6.466   6.466
  140    H    SER  18           H        SER  18  -5.362   8.888   8.888
  141    HA   SER  18           HA       SER  18  -6.850  10.530  10.530
  142   1HB   SER  18          2HB       SER  18  -5.372  11.669  11.669
  143   2HB   SER  18          1HB       SER  18  -3.993  11.042  11.042
  144    HG   SER  18           HG       SER  18  -4.416  12.276  12.276
  145    H    TRP  19           H        TRP  19  -5.489   7.783   7.783
  146    HA   TRP  19           HA       TRP  19  -3.819   8.011   8.011
  147   1HB   TRP  19          2HB       TRP  19  -3.400   6.650   6.650
  148   2HB   TRP  19          1HB       TRP  19  -4.093   5.361   5.361
  149    HD1  TRP  19           HD1      TRP  19  -0.902   6.555   6.555
  150    HE1  TRP  19           HE1      TRP  19   1.021   5.850   5.850
  151    HE3  TRP  19           HE3      TRP  19  -3.595   5.152   5.152
  152    HZ2  TRP  19           HZ2      TRP  19   1.352   4.858   4.858
  153    HZ3  TRP  19           HZ3      TRP  19  -2.360   4.300   4.300
  154    HH2  TRP  19           HH2      TRP  19   0.104   4.158   4.158
  155    H    ILE  20           H        ILE  20  -6.164   5.626   5.626
  156    HA   ILE  20           HA       ILE  20  -7.008   5.111   5.111
  157    HB   ILE  20           HB       ILE  20  -6.936   3.713   3.713
  158   1HG1  ILE  20          2HG1      ILE  20  -5.747   3.074   3.074
  159   2HG1  ILE  20          1HG1      ILE  20  -6.603   1.786   1.786
  160   1HG2  ILE  20          2HG2      ILE  20  -9.507   3.536   3.536
  161   2HG2  ILE  20          1HG2      ILE  20  -8.943   2.284   2.284
  162   3HG2  ILE  20          3HG2      ILE  20  -9.271   3.904   3.904
  163   1HD1  ILE  20          1HD1      ILE  20  -8.027   3.312   3.312
  164   2HD1  ILE  20          3HD1      ILE  20  -6.879   2.037   2.037
  165   3HD1  ILE  20          2HD1      ILE  20  -8.294   1.676   1.676
  166    H    LYS  21           H        LYS  21  -8.286   6.511   6.511
  167    HA   LYS  21           HA       LYS  21 -10.949   6.767   6.767
  168   1HB   LYS  21          2HB       LYS  21  -9.694   7.269   7.269
  169   2HB   LYS  21          1HB       LYS  21 -10.755   8.595   8.595
  170   1HG   LYS  21          2HG       LYS  21 -12.475   6.753   6.753
  171   2HG   LYS  21          1HG       LYS  21 -11.381   5.612   5.612
  172   1HD   LYS  21          2HD       LYS  21 -11.746   6.476   6.476
  173   2HD   LYS  21          1HD       LYS  21 -12.141   8.079   8.079
  174   1HE   LYS  21          2HE       LYS  21 -14.279   6.890   6.890
  175   2HE   LYS  21          1HE       LYS  21 -13.917   5.605   5.605
  176   1HZ   LYS  21          3HZ       LYS  21 -13.764   8.079   8.079
  177   2HZ   LYS  21          2HZ       LYS  21 -15.211   8.037   8.037
  178   3HZ   LYS  21          1HZ       LYS  21 -14.861   6.818   6.818
  179    H    ARG  22           H        ARG  22  -8.057   8.204   8.204
  180    HA   ARG  22           HA       ARG  22  -9.228  10.866  10.866
  181   1HB   ARG  22          2HB       ARG  22  -6.919  10.810  10.810
  182   2HB   ARG  22          1HB       ARG  22  -6.373   9.641   9.641
  183   1HG   ARG  22          2HG       ARG  22  -6.252  11.200  11.200
  184   2HG   ARG  22          1HG       ARG  22  -7.577  12.158  12.158
  185   1HD   ARG  22          2HD       ARG  22  -4.714  12.140  12.140
  186   2HD   ARG  22          1HD       ARG  22  -5.519  13.480  13.480
  187    HE   ARG  22           HE       ARG  22  -6.258  12.422  12.422
  188   1HH1  ARG  22          2HH1      ARG  22  -6.963  14.844  14.844
  189   2HH1  ARG  22          1HH1      ARG  22  -7.091  16.124  16.124
  190   1HH2  ARG  22          1HH2      ARG  22  -5.989  13.930  13.930
  191   2HH2  ARG  22          2HH2      ARG  22  -6.550  15.540  15.540
  192    H    LYS  23           H        LYS  23  -7.123   8.589   8.589
  193    HA   LYS  23           HA       LYS  23  -7.869   8.812   8.812
  194   1HB   LYS  23          2HB       LYS  23  -6.165   7.213   7.213
  195   2HB   LYS  23          1HB       LYS  23  -7.470   6.087   6.087
  196   1HG   LYS  23          2HG       LYS  23  -7.094   7.247   7.247
  197   2HG   LYS  23          1HG       LYS  23  -5.918   6.088   6.088
  198   1HD   LYS  23          2HD       LYS  23  -8.909   5.472   5.472
  199   2HD   LYS  23          1HD       LYS  23  -8.059   5.239   5.239
  200   1HE   LYS  23          2HE       LYS  23  -7.092   4.032   4.032
  201   2HE   LYS  23          1HE       LYS  23  -8.229   3.205   3.205
  202   1HZ   LYS  23          3HZ       LYS  23  -6.072   4.111   4.111
  203   2HZ   LYS  23          2HZ       LYS  23  -5.427   3.299   3.299
  204   3HZ   LYS  23          1HZ       LYS  23  -6.531   2.518   2.518
  205    H    ARG  24           H        ARG  24  -9.485   6.315   6.315
  206    HA   ARG  24           HA       ARG  24 -11.413   5.610   5.610
  207   1HB   ARG  24          2HB       ARG  24 -10.757   4.504   4.504
  208   2HB   ARG  24          1HB       ARG  24 -11.976   5.548   5.548
  209   1HG   ARG  24          2HG       ARG  24 -12.996   4.087   4.087
  210   2HG   ARG  24          1HG       ARG  24 -12.330   2.979   2.979
  211   1HD   ARG  24          2HD       ARG  24 -14.480   3.114   3.114
  212   2HD   ARG  24          1HD       ARG  24 -13.821   4.478   4.478
  213    HE   ARG  24           HE       ARG  24 -14.663   5.831   5.831
  214   1HH1  ARG  24          2HH1      ARG  24 -16.003   3.700   3.700
  215   2HH1  ARG  24          1HH1      ARG  24 -17.625   3.750   3.750
  216   1HH2  ARG  24          1HH2      ARG  24 -16.568   5.695   5.695
  217   2HH2  ARG  24          2HH2      ARG  24 -17.984   4.997   4.997
  218    H    GLN  25           H        GLN  25 -11.386   8.399   8.399
  219    HA   GLN  25           HA       GLN  25 -14.265   8.906   8.906
  220   1HB   GLN  25          2HB       GLN  25 -12.416  10.347  10.347
  221   2HB   GLN  25          1HB       GLN  25 -14.167  10.512  10.512
  222   1HG   GLN  25          2HG       GLN  25 -14.327   7.953   7.953
  223   2HG   GLN  25          1HG       GLN  25 -12.611   7.974   7.974
  224   1HE2  GLN  25          2HE2      GLN  25 -13.437  10.168  10.168
  225   2HE2  GLN  25          1HE2      GLN  25 -12.485  10.377  10.377
  226    H    GLN  26           H        GLN  26 -11.187  10.675  10.675
  227    HA   GLN  26           HA       GLN  26 -12.396  12.467  12.467
  228   1HB   GLN  26          2HB       GLN  26 -10.602  14.095  14.095
  229   2HB   GLN  26          1HB       GLN  26 -11.766  13.708  13.708
  230   1HG   GLN  26          2HG       GLN  26 -10.098  12.112  12.112
  231   2HG   GLN  26          1HG       GLN  26  -8.960  12.472  12.472
  232   1HE2  GLN  26          2HE2      GLN  26  -9.771  15.471  15.471
  233   2HE2  GLN  26          1HE2      GLN  26 -11.018  14.409  14.409
  234   1HN   NH2  27          1HT       GLN  26 -10.218   9.887   9.887
  235   2HN   NH2  27          2HT       GLN  26  -9.309  10.344  10.344