*HEADER    TOXIN                                   27-JUL-99   1C2U              
*TITLE     SOLUTION STRUCTURE OF [ABU3,35]SHK12-28,17-32                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SYNTHETIC PEPTIDE ANALOGUE OF SHK TOXIN;                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THE PEPTIDE WAS CHEMICALLY SYNTHESIZED. THE           
*SOURCE   4 SEQUENCE OF THIS PEPTIDE IS NATURALLY FOUND IN                       
*SOURCE   5 STICHODACTYLA HELIANTHUS.                                            
*KEYWDS    SHK TOXIN, POTASSIUM CHANNEL, DISULPHIDE BONDS, ANALOGUES,            
*KEYWDS   2 STRUCTURE-FUNCTION, SOLUTION STRUCTURE, NMR                          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.W.PENNINGTON, M.D.LANIGAN, K.KALMAN, V.M.MANHIR, H.RAUER,           
*AUTHOR   2 C.T.MCVAUGH, D.BEHM, D.DONALDSON, K.G.CHANDY, W.R.KEM,               
*AUTHOR   3 R.S.NORTON                                                           
*REVDAT   1   10-NOV-99 1C2U    0                                                
!1 ARG
assign (resid  1 and name   HA) (resid  1 and name  HD#) 0.00 0  5.80
assign (resid  1 and name   HA) (resid  1 and name   HE) 0.00 0  3.70
assign (resid  1 and name   HA) (resid  2 and name   HA) 0.00 0  4.30
assign (resid  1 and name  HB#) (resid  1 and name   HE) 0.00 0  5.60
!2 SER
assign (resid  2 and name   HA) (resid  3 and name   HN) 0.00 0  2.90
assign (resid  2 and name  HB#) (resid  3 and name   HN) 0.00 0  4.50
!3 ABA
assign (resid  3 and name   HN) (resid  3 and name   HA) 0.00 0  2.90
assign (resid  3 and name   HN) (resid  3 and name  HB2) 0.00 0  3.40
assign (resid  3 and name   HN) (resid  3 and name  HB1) 0.00 0  3.40
assign (resid  3 and name   HA) (resid 12 and name   HN) 0.00 0  3.00
assign (resid  3 and name  HB2) (resid  4 and name   HN) 0.00 0  4.00
assign (resid  3 and name  HB1) (resid  4 and name   HN) 0.00 0  4.00
assign (resid  3 and name  HB#) (resid  4 and name   HN) 0.00 0  3.65
assign (resid  3 and name  HG#) (resid  4 and name   HN) 0.00 0  4.60
!4 ILE
assign (resid  4 and name   HN) (resid  4 and name   HB) 0.00 0  3.40
assign (resid  4 and name   HN) (resid  4 and name HG2#) 0.00 0  3.40
assign (resid  4 and name   HN) (resid  4 and name HG1#) 0.00 0  5.10
assign (resid  4 and name   HN) (resid  4 and name HD1#) 0.00 0  4.40
assign (resid  4 and name   HN) (resid  5 and name   HN) 0.00 0  3.50
assign (resid  4 and name HG2#) (resid  5 and name   HN) 0.00 0  4.00
assign (resid  4 and name HG1#) (resid  5 and name   HN) 0.00 0  5.20
assign (resid  4 and name HD1#) (resid  5 and name   HN) 0.00 0  4.00
assign (resid  4 and name HD1#) (resid  6 and name   HN) 0.00 0  4.00
!5 ASP
assign (resid  5 and name   HN) (resid  5 and name   HA) 0.00 0  2.90
assign (resid  5 and name   HN) (resid  5 and name  HB2) 0.00 0  3.80
assign (resid  5 and name   HN) (resid  5 and name  HB1) 0.00 0  3.80
assign (resid  5 and name   HN) (resid  5 and name  HB#) 0.00 0  3.50
assign (resid  5 and name   HN) (resid 15 and name  HE#) 0.00 0  6.60
!6 THR
assign (resid  6 and name   HN) (resid  6 and name   HB) 0.00 0  3.60
assign (resid  6 and name   HN) (resid  6 and name HG2#) 0.00 0  4.40
!7 ILE
assign (resid  7 and name   HN) (resid  7 and name   HB) 0.00 0  3.80
assign (resid  7 and name   HN) (resid  7 and name HG2#) 0.00 0  4.40
assign (resid  7 and name   HN) (resid  7 and name HG12) 0.00 0  4.50
assign (resid  7 and name   HN) (resid  7 and name HG11) 0.00 0  4.50
assign (resid  7 and name   HN) (resid  7 and name HG1#) 0.00 0  3.98
assign (resid  7 and name   HN) (resid  7 and name HD1#) 0.00 0  4.40
assign (resid  7 and name   HN) (resid 28 and name  HB#) 0.00 0  4.78
assign (resid  7 and name HG1#) (resid  8 and name   HA) 0.00 0  5.98
!8 PRO
assign (resid  8 and name   HA) (resid  9 and name   HN) 0.00 0  2.90
assign (resid  8 and name   HA) (resid  9 and name  HB#) 0.00 0  4.80
assign (resid  8 and name  HB#) (resid  9 and name   HN) 0.00 0  4.20
assign (resid  8 and name  HB#) (resid 10 and name   HN) 0.00 0  5.00
assign (resid  8 and name  HB#) (resid 11 and name   HN) 0.00 0  5.40
assign (resid  8 and name  HG#) (resid  9 and name   HN) 0.00 0  5.30
assign (resid  8 and name  HD#) (resid  9 and name   HN) 0.00 0  5.30
!9 LYS
assign (resid  9 and name   HN) (resid  9 and name  HG#) 0.00 0  4.40
assign (resid  9 and name   HN) (resid  9 and name  HD#) 0.00 0  5.50
assign (resid  9 and name   HA) (resid  9 and name  HD#) 0.00 0  5.40
assign (resid  9 and name   HA) (resid 10 and name   HN) 0.00 0  2.90
assign (resid  9 and name  HG#) (resid 10 and name   HN) 0.00 0  4.80
!10 SER
assign (resid 10 and name   HA) (resid 11 and name   HN) 0.00 0  3.40
assign (resid 10 and name  HB#) (resid 11 and name   HN) 0.00 0  4.30
assign (resid 10 and name  HB#) (resid 11 and name   HE) 0.00 0  4.70
assign (resid 10 and name  HB#) (resid 12 and name   HN) 0.00 0  4.80
!11 ARG
assign (resid 11 and name   HN) (resid 11 and name   HA) 0.00 0  2.90
assign (resid 11 and name   HN) (resid 11 and name  HB2) 0.00 0  3.60
assign (resid 11 and name   HN) (resid 11 and name  HB1) 0.00 0  3.60
assign (resid 11 and name   HN) (resid 11 and name  HB#) 0.00 0  3.39
assign (resid 11 and name   HN) (resid 11 and name  HG#) 0.00 0  4.70
assign (resid 11 and name   HN) (resid 11 and name   HE) 0.00 0  4.60
assign (resid 11 and name   HA) (resid 11 and name   HE) 0.00 0  4.20
assign (resid 11 and name   HA) (resid 12 and name   HN) 0.00 0  2.90
assign (resid 11 and name   HA) (resid 13 and name HG2#) 0.00 0  4.40
assign (resid 11 and name  HB#) (resid 11 and name  HD#) 0.00 0  3.56
assign (resid 11 and name  HB#) (resid 11 and name   HE) 0.00 0  4.78
assign (resid 11 and name  HG#) (resid 12 and name   HN) 0.00 0  4.50
!12 CYS
assign (resid 12 and name   HN) (resid 12 and name   HA) 0.00 0  2.90
assign (resid 12 and name   HA) (resid 17 and name   HN) 0.00 0  4.00
assign (resid 12 and name   CB) (resid 28 and name   SG) 0.00 0  3.10
assign (resid 12 and name  HB#) (resid 28 and name  HB#) 0.00 0  5.48
assign (resid 12 and name  HB#) (resid 31 and name   HA) 0.00 0  5.10
assign (resid 12 and name   SG) (resid 28 and name   CB) 0.00 0  3.10
assign (resid 12 and name   SG) (resid 28 and name   SG) 0.00 0  2.10
!13 THR
assign (resid 13 and name   HN) (resid 13 and name   HA) 0.00 0  2.90
assign (resid 13 and name   HN) (resid 13 and name   HB) 0.00 0  3.80
assign (resid 13 and name   HN) (resid 13 and name HG2#) 0.00 0  4.40
assign (resid 13 and name   HB) (resid 15 and name   HN) 0.00 0  3.90
assign (resid 13 and name   HB) (resid 15 and name  HE#) 0.00 0  6.20
assign (resid 13 and name HG2#) (resid 15 and name   HN) 0.00 0  4.40
assign (resid 13 and name HG2#) (resid 15 and name  HB#) 0.00 0  5.28
assign (resid 13 and name HG2#) (resid 15 and name  HE#) 0.00 0  5.90
assign (resid 13 and name HG2#) (resid 16 and name   HN) 0.00 0  4.70
assign (resid 13 and name HG2#) (resid 16 and name HE21) 0.00 0  4.90
assign (resid 13 and name HG2#) (resid 16 and name HE22) 0.00 0  4.90
assign (resid 13 and name HG2#) (resid 16 and name HE2#) 0.00 0  4.39
assign (resid 13 and name  HG1) (resid 14 and name   HN) 0.00 0  5.00
assign (resid 13 and name  HG1) (resid 15 and name   HN) 0.00 0  4.00
assign (resid 13 and name  HG1) (resid 15 and name  HB2) 0.00 0  4.00
assign (resid 13 and name  HG1) (resid 15 and name  HB1) 0.00 0  4.00
assign (resid 13 and name  HG1) (resid 15 and name  HB#) 0.00 0  3.80
assign (resid 13 and name  HG1) (resid 15 and name  HE#) 0.00 0  6.60
assign (resid 13 and name  HG1) (resid 16 and name   HN) 0.00 0  3.60
assign (resid 13 and name  HG1) (resid 16 and name   HA) 0.00 0  4.70
assign (resid 13 and name  HG1) (resid 16 and name  HB#) 0.00 0  5.18
assign (resid 13 and name  HG1) (resid 16 and name  HG2) 0.00 0  3.80
assign (resid 13 and name  HG1) (resid 16 and name  HG1) 0.00 0  3.80
!14 ALA
assign (resid 14 and name   HN) (resid 14 and name   HA) 0.00 0  2.90
assign (resid 14 and name   HN) (resid 15 and name   HN) 0.00 0  2.90
assign (resid 14 and name   HN) (resid 15 and name  HE#) 0.00 0  7.00
assign (resid 14 and name   HN) (resid 16 and name   HN) 0.00 0  4.40
assign (resid 14 and name   HA) (resid 15 and name   HN) 0.00 0  3.50
assign (resid 14 and name   HA) (resid 17 and name   HN) 0.00 0  4.10
assign (resid 14 and name   HA) (resid 17 and name  HB2) 0.00 0  3.50
assign (resid 14 and name   HA) (resid 17 and name  HB1) 0.00 0  3.50
assign (resid 14 and name   HA) (resid 17 and name  HB#) 0.00 0  3.29
assign (resid 14 and name  HB#) (resid 15 and name  HE#) 0.00 0  5.90
assign (resid 14 and name  HB#) (resid 19 and name   HA) 0.00 0  5.40
!15 PHE
assign (resid 15 and name   HN) (resid 15 and name   HA) 0.00 0  2.90
assign (resid 15 and name   HN) (resid 15 and name  HB2) 0.00 0  3.40
assign (resid 15 and name   HN) (resid 15 and name  HB1) 0.00 0  3.40
assign (resid 15 and name   HN) (resid 15 and name  HE#) 0.00 0  5.30
assign (resid 15 and name   HN) (resid 16 and name   HN) 0.00 0  3.00
assign (resid 15 and name   HA) (resid 15 and name  HE#) 0.00 0  5.20
assign (resid 15 and name   HA) (resid 19 and name  HE1) 0.00 0  3.30
assign (resid 15 and name  HB#) (resid 16 and name   HN) 0.00 0  3.88
assign (resid 15 and name  HB#) (resid 19 and name  HE1) 0.00 0  4.48
assign (resid 15 and name  HD#) (resid 17 and name   HN) 0.00 0  6.40
assign (resid 15 and name  HE#) (resid 16 and name   HA) 0.00 0  9.60
assign (resid 15 and name  HE#) (resid 16 and name  HG2) 0.00 0  6.80
assign (resid 15 and name  HE#) (resid 16 and name  HG1) 0.00 0  6.80
assign (resid 15 and name  HE#) (resid 16 and name  HG#) 0.00 0  6.50
assign (resid 15 and name  HE#) (resid 22 and name  HB#) 0.00 0  7.18
!16 GLN
assign (resid 16 and name   HN) (resid 16 and name   HA) 0.00 0  2.90
assign (resid 16 and name   HN) (resid 16 and name  HB2) 0.00 0  4.00
assign (resid 16 and name   HN) (resid 16 and name  HB1) 0.00 0  4.00
assign (resid 16 and name   HN) (resid 16 and name  HB#) 0.00 0  3.61
assign (resid 16 and name   HN) (resid 16 and name  HG2) 0.00 0  3.40
assign (resid 16 and name   HN) (resid 16 and name  HG1) 0.00 0  3.40
assign (resid 16 and name   HN) (resid 17 and name   HN) 0.00 0  2.90
assign (resid 16 and name   HA) (resid 16 and name  HG2) 0.00 0  3.80
assign (resid 16 and name   HA) (resid 16 and name  HG1) 0.00 0  3.80
assign (resid 16 and name   HA) (resid 16 and name  HG#) 0.00 0  3.60
assign (resid 16 and name   HA) (resid 16 and name HE2#) 0.00 0  4.77
assign (resid 16 and name   HA) (resid 17 and name   HN) 0.00 0  3.60
assign (resid 16 and name   HA) (resid 19 and name   HN) 0.00 0  4.00
assign (resid 16 and name   HA) (resid 19 and name  HB#) 0.00 0  5.68
assign (resid 16 and name   HA) (resid 19 and name  HD2) 0.00 0  3.20
assign (resid 16 and name   HA) (resid 19 and name  HE1) 0.00 0  3.70
assign (resid 16 and name  HB2) (resid 16 and name HE21) 0.00 0  6.25
assign (resid 16 and name  HB2) (resid 16 and name HE22) 0.00 0  6.25
assign (resid 16 and name  HB1) (resid 16 and name HE21) 0.00 0  6.25
assign (resid 16 and name  HB1) (resid 16 and name HE22) 0.00 0  6.25
assign (resid 16 and name  HB#) (resid 17 and name   HN) 0.00 0  3.88
assign (resid 16 and name  HB#) (resid 18 and name   HN) 0.00 0  5.28
assign (resid 16 and name  HB#) (resid 19 and name   HN) 0.00 0  6.18
assign (resid 16 and name  HG2) (resid 17 and name   HN) 0.00 0  3.90
assign (resid 16 and name  HG1) (resid 17 and name   HN) 0.00 0  3.90
assign (resid 16 and name  HG#) (resid 17 and name   HN) 0.00 0  3.65
assign (resid 16 and name  HG#) (resid 18 and name   HN) 0.00 0  5.48
assign (resid 16 and name  HG#) (resid 19 and name  HE1) 0.00 0  5.08
!17 CYS
assign (resid 17 and name   HN) (resid 17 and name   HA) 0.00 0  2.90
assign (resid 17 and name   HN) (resid 17 and name  HB2) 0.00 0  3.40
assign (resid 17 and name   HN) (resid 17 and name  HB1) 0.00 0  3.40
assign (resid 17 and name   HN) (resid 18 and name   HN) 0.00 0  2.90
assign (resid 17 and name   HN) (resid 31 and name HG2#) 0.00 0  5.60
assign (resid 17 and name   CB) (resid 32 and name   SG) 0.00 0  3.10
assign (resid 17 and name  HB2) (resid 18 and name   HN) 0.00 0  3.20
assign (resid 17 and name  HB1) (resid 18 and name   HN) 0.00 0  3.20
assign (resid 17 and name  HB#) (resid 18 and name   HN) 0.00 0  2.98
assign (resid 17 and name  HB#) (resid 25 and name  HD#) 0.00 0  7.45
assign (resid 17 and name  HB#) (resid 29 and name   HA) 0.00 0  6.08
assign (resid 17 and name   SG) (resid 32 and name   CB) 0.00 0  3.10
assign (resid 17 and name   SG) (resid 32 and name   SG) 0.00 0  2.10
!18 LYS
assign (resid 18 and name   HN) (resid 18 and name   HA) 0.00 0  2.90
assign (resid 18 and name   HN) (resid 18 and name  HB2) 0.00 0  3.40
assign (resid 18 and name   HN) (resid 18 and name  HB1) 0.00 0  3.40
assign (resid 18 and name   HN) (resid 18 and name  HG#) 0.00 0  5.10
assign (resid 18 and name   HN) (resid 18 and name  HD#) 0.00 0  5.40
assign (resid 18 and name   HN) (resid 18 and name  HE#) 0.00 0  6.20
assign (resid 18 and name   HA) (resid 18 and name  HD#) 0.00 0  5.10
assign (resid 18 and name  HB#) (resid 19 and name  HB#) 0.00 0  6.95
assign (resid 18 and name  HB#) (resid 25 and name  HD#) 0.00 0  5.45
assign (resid 18 and name  HB#) (resid 31 and name   HB) 0.00 0  5.88
assign (resid 18 and name  HG#) (resid 25 and name   HN) 0.00 0  6.10
!19 HIS
assign (resid 19 and name   HN) (resid 19 and name  HB2) 0.00 0  3.50
assign (resid 19 and name   HN) (resid 19 and name  HB1) 0.00 0  3.50
assign (resid 19 and name   HN) (resid 19 and name  HD2) 0.00 0  3.90
assign (resid 19 and name   HN) (resid 19 and name  HE1) 0.00 0  5.60
assign (resid 19 and name   HA) (resid 19 and name  HD2) 0.00 0  4.60
assign (resid 19 and name   HA) (resid 19 and name  HE1) 0.00 0  4.90
assign (resid 19 and name   HA) (resid 22 and name  HB#) 0.00 0  5.48
assign (resid 19 and name   HA) (resid 22 and name  HD#) 0.00 0  5.70
assign (resid 19 and name  HB2) (resid 19 and name  HE1) 0.00 0  5.30
assign (resid 19 and name  HB1) (resid 19 and name  HE1) 0.00 0  5.30
assign (resid 19 and name  HB#) (resid 19 and name  HE1) 0.00 0  4.88
!20 SER
assign (resid 20 and name   HN) (resid 20 and name  HB2) 0.00 0  4.20
assign (resid 20 and name   HN) (resid 20 and name  HB1) 0.00 0  4.20
assign (resid 20 and name   HA) (resid 22 and name   HN) 0.00 0  3.60
assign (resid 20 and name  HB#) (resid 22 and name   HN) 0.00 0  5.68
assign (resid 20 and name  HB#) (resid 23 and name  HE#) 0.00 0  7.58
!21 ALA
assign (resid 21 and name   HN) (resid 22 and name   HN) 0.00 0  3.00
assign (resid 21 and name   HN) (resid 24 and name   HN) 0.00 0  4.70
assign (resid 21 and name   HA) (resid 22 and name   HN) 0.00 0  3.40
assign (resid 21 and name   HA) (resid 24 and name   HN) 0.00 0  4.40
assign (resid 21 and name   HA) (resid 24 and name  HB#) 0.00 0  4.28
assign (resid 21 and name   HA) (resid 24 and name   HE) 0.00 0  3.50
assign (resid 21 and name   HA) (resid 25 and name   HN) 0.00 0  4.20
assign (resid 21 and name  HB#) (resid 23 and name  HD#) 0.00 0  6.40
assign (resid 21 and name  HB#) (resid 24 and name HH2#) 0.00 0  5.50
!22 LYS
assign (resid 22 and name   HN) (resid 22 and name   HA) 0.00 0  2.90
assign (resid 22 and name   HN) (resid 22 and name  HB2) 0.00 0  3.90
assign (resid 22 and name   HN) (resid 22 and name  HB1) 0.00 0  3.90
assign (resid 22 and name   HN) (resid 22 and name  HB#) 0.00 0  3.55
assign (resid 22 and name   HN) (resid 22 and name  HG#) 0.00 0  4.90
assign (resid 22 and name   HN) (resid 22 and name  HD#) 0.00 0  5.30
assign (resid 22 and name   HN) (resid 23 and name  HD#) 0.00 0  5.90
assign (resid 22 and name   HN) (resid 23 and name  HE#) 0.00 0  6.50
assign (resid 22 and name   HA) (resid 22 and name  HD#) 0.00 0  5.40
assign (resid 22 and name   HA) (resid 24 and name  HB#) 0.00 0  5.38
assign (resid 22 and name   HA) (resid 25 and name HD1#) 0.00 0  4.90
assign (resid 22 and name   HA) (resid 25 and name HD2#) 0.00 0  4.90
assign (resid 22 and name   HA) (resid 25 and name  HD#) 0.00 0  4.19
assign (resid 22 and name  HB#) (resid 23 and name  HD#) 0.00 0  6.48
assign (resid 22 and name  HB#) (resid 27 and name  HE#) 0.00 0  6.18
assign (resid 22 and name  HG#) (resid 23 and name  HD#) 0.00 0  7.40
assign (resid 22 and name  HG#) (resid 23 and name  HE#) 0.00 0  8.50
assign (resid 22 and name  HG#) (resid 27 and name  HE#) 0.00 0  7.20
assign (resid 22 and name  HD#) (resid 23 and name   HN) 0.00 0  6.10
assign (resid 22 and name  HD#) (resid 23 and name  HB#) 0.00 0  6.28
assign (resid 22 and name  HD#) (resid 23 and name  HD#) 0.00 0  7.70
assign (resid 22 and name  HD#) (resid 23 and name  HE#) 0.00 0  7.70
assign (resid 22 and name  HD#) (resid 27 and name  HB#) 0.00 0  6.68
assign (resid 22 and name  HD#) (resid 27 and name  HE#) 0.00 0  7.00
!23 TYR
assign (resid 23 and name  HD#) (resid 24 and name   HN) 0.00 0  6.00
assign (resid 23 and name  HD#) (resid 25 and name  HD#) 0.00 0  7.57
!24 ARG
assign (resid 24 and name   HN) (resid 24 and name   HA) 0.00 0  2.90
assign (resid 24 and name   HN) (resid 24 and name  HB2) 0.00 0  3.50
assign (resid 24 and name   HN) (resid 24 and name  HB1) 0.00 0  3.50
assign (resid 24 and name   HN) (resid 24 and name  HG#) 0.00 0  5.00
assign (resid 24 and name   HN) (resid 24 and name  HD#) 0.00 0  4.60
assign (resid 24 and name   HN) (resid 24 and name HH2#) 0.00 0  6.00
assign (resid 24 and name   HN) (resid 25 and name   HN) 0.00 0  3.00
assign (resid 24 and name   HA) (resid 24 and name  HD#) 0.00 0  4.70
assign (resid 24 and name   HA) (resid 24 and name   HE) 0.00 0  4.90
assign (resid 24 and name   HA) (resid 24 and name HH2#) 0.00 0  5.70
assign (resid 24 and name   HA) (resid 25 and name   HN) 0.00 0  3.50
assign (resid 24 and name  HB2) (resid 24 and name   HE) 0.00 0  3.90
assign (resid 24 and name  HB2) (resid 24 and name HH2#) 0.00 0  5.70
assign (resid 24 and name  HB1) (resid 24 and name   HE) 0.00 0  3.90
assign (resid 24 and name  HB1) (resid 24 and name HH2#) 0.00 0  5.70
assign (resid 24 and name  HB#) (resid 24 and name HH2#) 0.00 0  5.48
assign (resid 24 and name  HB#) (resid 25 and name   HA) 0.00 0  4.98
assign (resid 24 and name  HB#) (resid 26 and name   HN) 0.00 0  5.58
assign (resid 24 and name  HG#) (resid 24 and name HH2#) 0.00 0  6.90
assign (resid 24 and name  HD#) (resid 25 and name  HD#) 0.00 0  6.57
assign (resid 24 and name   HE) (resid 25 and name  HD#) 0.00 0  5.07
!25 LEU
assign (resid 25 and name   HN) (resid 25 and name  HB2) 0.00 0  3.40
assign (resid 25 and name   HN) (resid 25 and name  HB1) 0.00 0  3.40
assign (resid 25 and name   HN) (resid 25 and name HD1#) 0.00 0  4.40
assign (resid 25 and name   HN) (resid 25 and name HD2#) 0.00 0  4.40
assign (resid 25 and name   HN) (resid 27 and name   HN) 0.00 0  4.40
assign (resid 25 and name   HA) (resid 25 and name   HG) 0.00 0  4.20
assign (resid 25 and name   HA) (resid 25 and name HD1#) 0.00 0  4.40
assign (resid 25 and name   HA) (resid 25 and name HD2#) 0.00 0  4.40
assign (resid 25 and name  HB#) (resid 26 and name   HN) 0.00 0  4.88
assign (resid 25 and name  HB#) (resid 28 and name  HB#) 0.00 0  6.65
assign (resid 25 and name  HB#) (resid 35 and name   HN) 0.00 0  5.28
assign (resid 25 and name HD1#) (resid 26 and name   HN) 0.00 0  4.40
assign (resid 25 and name HD2#) (resid 26 and name   HN) 0.00 0  4.40
assign (resid 25 and name  HD#) (resid 26 and name   HN) 0.00 0  3.90
assign (resid 25 and name  HD#) (resid 27 and name   HN) 0.00 0  5.57
assign (resid 25 and name  HD#) (resid 29 and name   HE) 0.00 0  5.57
assign (resid 25 and name  HD#) (resid 30 and name   HN) 0.00 0  5.27
!26 SER
assign (resid 26 and name   HN) (resid 26 and name  HB2) 0.00 0  4.20
assign (resid 26 and name   HN) (resid 26 and name  HB1) 0.00 0  4.20
assign (resid 26 and name   HN) (resid 27 and name   HN) 0.00 0  2.60
assign (resid 26 and name   HA) (resid 27 and name   HN) 0.00 0  3.60
assign (resid 26 and name  HB2) (resid 27 and name   HN) 0.00 0  3.50
assign (resid 26 and name  HB2) (resid 27 and name  HE#) 0.00 0  6.40
assign (resid 26 and name  HB1) (resid 27 and name   HN) 0.00 0  3.50
assign (resid 26 and name  HB1) (resid 27 and name  HE#) 0.00 0  6.40
assign (resid 26 and name  HB#) (resid 27 and name  HE#) 0.00 0  6.04
!27 PHE
assign (resid 27 and name   HN) (resid 27 and name   HA) 0.00 0  2.90
assign (resid 27 and name   HN) (resid 27 and name  HB2) 0.00 0  3.80
assign (resid 27 and name   HN) (resid 27 and name  HB1) 0.00 0  3.80
assign (resid 27 and name   HN) (resid 27 and name  HB#) 0.00 0  3.50
assign (resid 27 and name   HN) (resid 28 and name   HN) 0.00 0  2.90
assign (resid 27 and name   HA) (resid 27 and name  HE#) 0.00 0  4.70
!28 CYS
assign (resid 28 and name   HN) (resid 28 and name  HB2) 0.00 0  4.10
assign (resid 28 and name   HN) (resid 28 and name  HB1) 0.00 0  4.10
assign (resid 28 and name   HN) (resid 28 and name  HB#) 0.00 0  3.85
assign (resid 28 and name  HB2) (resid 29 and name   HN) 0.00 0  4.00
assign (resid 28 and name  HB2) (resid 29 and name   HA) 0.00 0  5.60
assign (resid 28 and name  HB1) (resid 29 and name   HN) 0.00 0  4.00
assign (resid 28 and name  HB1) (resid 29 and name   HA) 0.00 0  5.60
assign (resid 28 and name  HB#) (resid 29 and name   HN) 0.00 0  3.61
assign (resid 28 and name  HB#) (resid 29 and name   HA) 0.00 0  4.75
assign (resid 28 and name  HB#) (resid 29 and name  HG#) 0.00 0  6.68
assign (resid 28 and name  HB#) (resid 32 and name   HN) 0.00 0  5.58
!29 ARG
assign (resid 29 and name   HN) (resid 29 and name   HA) 0.00 0  2.90
assign (resid 29 and name   HN) (resid 29 and name  HB2) 0.00 0  3.40
assign (resid 29 and name   HN) (resid 29 and name  HB1) 0.00 0  3.40
assign (resid 29 and name   HN) (resid 29 and name  HG#) 0.00 0  5.80
assign (resid 29 and name   HN) (resid 30 and name   HN) 0.00 0  3.30
assign (resid 29 and name   HA) (resid 29 and name   HE) 0.00 0  4.50
assign (resid 29 and name   HA) (resid 32 and name  HB#) 0.00 0  3.78
assign (resid 29 and name  HB2) (resid 29 and name   HE) 0.00 0  3.50
assign (resid 29 and name  HB1) (resid 29 and name   HE) 0.00 0  3.50
!30 LYS
assign (resid 30 and name   HN) (resid 30 and name  HG#) 0.00 0  5.20
assign (resid 30 and name   HN) (resid 30 and name  HD#) 0.00 0  4.90
assign (resid 30 and name   HA) (resid 30 and name  HD#) 0.00 0  5.30
!31 THR
assign (resid 31 and name   HN) (resid 31 and name   HB) 0.00 0  4.00
assign (resid 31 and name   HN) (resid 31 and name HG2#) 0.00 0  4.40
assign (resid 31 and name   HN) (resid 32 and name   HN) 0.00 0  3.50
assign (resid 31 and name   HA) (resid 32 and name   HN) 0.00 0  3.50
assign (resid 31 and name   HB) (resid 32 and name   HN) 0.00 0  3.00
!32 CYS
assign (resid 32 and name   HN) (resid 32 and name  HB2) 0.00 0  4.10
assign (resid 32 and name   HN) (resid 32 and name  HB1) 0.00 0  4.10
assign (resid 32 and name   HN) (resid 32 and name  HB#) 0.00 0  3.81
assign (resid 32 and name   HA) (resid 34 and name   HN) 0.00 0  4.00
assign (resid 32 and name  HB2) (resid 33 and name   HN) 0.00 0  4.30
assign (resid 32 and name  HB2) (resid 34 and name HG2#) 0.00 0  4.00
assign (resid 32 and name  HB2) (resid 35 and name   HN) 0.00 0  5.00
assign (resid 32 and name  HB1) (resid 33 and name   HN) 0.00 0  4.30
assign (resid 32 and name  HB1) (resid 34 and name HG2#) 0.00 0  4.00
assign (resid 32 and name  HB1) (resid 35 and name   HN) 0.00 0  5.00
assign (resid 32 and name  HB#) (resid 33 and name   HN) 0.00 0  3.82
assign (resid 32 and name  HB#) (resid 35 and name   HN) 0.00 0  4.44
!34 THR
assign (resid 34 and name   HN) (resid 34 and name   HB) 0.00 0  3.40
assign (resid 34 and name   HN) (resid 34 and name HG2#) 0.00 0  4.40
assign (resid 34 and name   HN) (resid 35 and name   HN) 0.00 0  3.00
assign (resid 34 and name   HA) (resid 35 and name   HN) 0.00 0  3.50
assign (resid 34 and name   HB) (resid 35 and name   HN) 0.00 0  3.70
assign (resid 34 and name HG2#) (resid 35 and name   HN) 0.00 0  4.00
!35 ABA
assign (resid 35 and name   HN) (resid 35 and name  HB#) 0.00 0  3.86
!lower limits
!5 ASP
assign (resid  5 and name   HN) (resid  6 and name   HN) 3.00 0 99.00
!20 SER
assign (resid 20 and name  HB3) (resid 21 and name   HN) 3.00 0 99.00
!28 CYSS
assign (resid 28 and name  HB2) (resid 32 and name  HB2) 3.00 0 99.00


# dihedral angle restraints

      assign (resid 2 and name c) (resid 3 and name n)
             (resid 3 and name ca) (resid 3 and name c)  1  -60.0   40.0  2
      assign (resid 3 and name c) (resid 4 and name n)
             (resid 4 and name ca) (resid 4 and name c)  1 -120.0   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   40.0  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   40.0  2
      assign (resid 10 and name c) (resid 11 and name n)
             (resid 11 and name ca) (resid 11 and name c)  1 -120.0   40.0  2
      assign (resid 11 and name c) (resid 12 and name n)
             (resid 12 and name ca) (resid 12 and name c)  1 -120.0   40.0  2
      assign (resid 13 and name c) (resid 14 and name n)
             (resid 14 and name ca) (resid 14 and name c)  1  -60.0   40.0  2
      assign (resid 23 and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1 -120.0   40.0  2
      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 6 and name c) (resid 7 and name n)
             (resid 7 and name ca) (resid 7 and name c)  1 -120.0   60.0  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 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 -120.0   60.0  2
      assign (resid 15 and name c) (resid 16 and name n)
             (resid 16 and name ca) (resid 16 and name c)  1 -120.0   60.0  2
      assign (resid 16 and name c) (resid 17 and name n)
             (resid 17 and name ca) (resid 17 and name c)  1 -105.0   75.0  2
      assign (resid 17 and name c) (resid 18 and name n)
             (resid 18 and name ca) (resid 18 and name c)  1 -120.0   60.0  2
      assign (resid 18 and name c) (resid 19 and name n)
             (resid 19 and name ca) (resid 19 and name c)  1 -105.0   75.0  2
      assign (resid 19 and name c) (resid 20 and name n)
             (resid 20 and name ca) (resid 20 and name c)  1 -120.0   60.0  2
      assign (resid 20 and name c) (resid 21 and name n)
             (resid 21 and name ca) (resid 21 and name c)  1 -120.0   60.0  2
      assign (resid 21 and name c) (resid 22 and name n)
             (resid 22 and name ca) (resid 22 and name c)  1 -105.0   75.0  2
      assign (resid 22 and name c) (resid 23 and name n)
             (resid 23 and name ca) (resid 23 and name c)  1 -120.0   60.0  2
      assign (resid 23 and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1 -120.0   60.0  2
      assign (resid 24 and name c) (resid 25 and name n)
             (resid 25 and name ca) (resid 25 and name c)  1 -120.0   60.0  2
      assign (resid 25 and name c) (resid 26 and name n)
             (resid 26 and name ca) (resid 26 and name c)  1 -120.0   60.0  2
      assign (resid 26 and name c) (resid 27 and name n)
             (resid 27 and name ca) (resid 27 and name c)  1 -120.0   60.0  2
      assign (resid 27 and name c) (resid 28 and name n)
             (resid 28 and name ca) (resid 28 and name c)  1 -120.0   60.0  2
      assign (resid 29 and name c) (resid 30 and name n)
             (resid 30 and name ca) (resid 30 and name c)  1 -105.0   75.0  2
      assign (resid 30 and name c) (resid 31 and name n)
             (resid 31 and name ca) (resid 31 and name c)  1 -120.0   60.0  2
      assign (resid 31 and name c) (resid 32 and name n)
             (resid 32 and name ca) (resid 32 and name c)  1 -120.0   60.0  2
      assign (resid 33 and name c) (resid 34 and name n)
             (resid 34 and name ca) (resid 34 and name c)  1 -120.0   60.0  2
      assign (resid 34 and name c) (resid 35 and name n)
             (resid 35 and name ca) (resid 35 and name c)  1 -120.0   60.0  2


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -3.973  12.635   7.496
    2   2H    ARG   1          2H        ARG   1  -4.868  11.248   7.928
    3   3H    ARG   1          3H        ARG   1  -5.654  12.721   7.623
    4    HA   ARG   1           HA       ARG   1  -4.916  10.701   5.728
    5   1HB   ARG   1          2HB       ARG   1  -6.823  13.019   6.003
    6   2HB   ARG   1          1HB       ARG   1  -5.992  13.131   4.483
    7   1HG   ARG   1          2HG       ARG   1  -7.852  11.942   3.873
    8   2HG   ARG   1          1HG       ARG   1  -6.707  10.659   4.086
    9   1HD   ARG   1          2HD       ARG   1  -7.949  11.023   6.670
   10   2HD   ARG   1          1HD       ARG   1  -9.232  11.148   5.480
   11    HE   ARG   1           HE       ARG   1  -7.326   8.812   5.566
   12   1HH1  ARG   1          2HH1      ARG   1  -9.953   8.844   6.991
   13   2HH1  ARG   1          1HH1      ARG   1 -11.008   8.001   5.921
   14   1HH2  ARG   1          2HH2      ARG   1  -8.645   8.429   3.277
   15   2HH2  ARG   1          1HH2      ARG   1 -10.193   7.748   3.606
   16    H    SER   2           H        SER   2  -2.651  11.343   6.687
   17    HA   SER   2           HA       SER   2  -1.421  13.069   4.657
   18   1HB   SER   2          2HB       SER   2   0.039  13.054   7.230
   19   2HB   SER   2          1HB       SER   2  -0.666  14.445   6.403
   20    HG   SER   2           HG       SER   2  -1.543  13.529   8.567
   21   1HN   ABA   3           HN       ABA   3   1.147  12.552   4.730
   22    HA   ABA   3           HA       ABA   3   1.536   9.968   3.753
   23   1HB   ABA   3          1HB       ABA   3   3.156  11.659   3.284
   24   2HB   ABA   3          2HB       ABA   3   4.021  10.455   4.212
   25   1HG   ABA   3          1HG       ABA   3   3.108  12.092   6.242
   26   2HG   ABA   3          2HG       ABA   3   3.350  13.263   4.951
   27   3HG   ABA   3          3HG       ABA   3   4.677  12.247   5.494
   28    H    ILE   4           H        ILE   4   3.202   8.316   4.617
   29    HA   ILE   4           HA       ILE   4   2.480   7.671   7.430
   30    HB   ILE   4           HB       ILE   4   1.626   5.858   6.378
   31   1HG1  ILE   4          2HG1      ILE   4   4.024   4.976   7.318
   32   2HG1  ILE   4          1HG1      ILE   4   2.798   3.956   6.637
   33   1HG2  ILE   4          1HG2      ILE   4   2.014   5.131   4.094
   34   2HG2  ILE   4          2HG2      ILE   4   3.397   6.190   3.948
   35   3HG2  ILE   4          3HG2      ILE   4   1.801   6.873   4.147
   36   1HD1  ILE   4          1HD1      ILE   4   4.981   3.394   5.665
   37   2HD1  ILE   4          2HD1      ILE   4   5.214   4.993   5.061
   38   3HD1  ILE   4          3HD1      ILE   4   3.941   4.019   4.398
   39    H    ASP   5           H        ASP   5   5.032   6.696   5.239
   40    HA   ASP   5           HA       ASP   5   7.108   7.646   7.087
   41   1HB   ASP   5          2HB       ASP   5   6.444   5.302   7.788
   42   2HB   ASP   5          1HB       ASP   5   6.907   4.697   6.220
   43    H    THR   6           H        THR   6   8.516   5.464   5.373
   44    HA   THR   6           HA       THR   6  10.285   6.718   3.820
   45    HB   THR   6           HB       THR   6  10.272   4.295   4.310
   46    HG1  THR   6          1HG       THR   6  11.405   4.109   2.554
   47   1HG2  THR   6          1HG2      THR   6   7.957   3.618   4.091
   48   2HG2  THR   6          2HG2      THR   6   8.795   2.815   2.782
   49   3HG2  THR   6          3HG2      THR   6   7.841   4.246   2.452
   50    H    ILE   7           H        ILE   7   6.989   6.509   2.887
   51    HA   ILE   7           HA       ILE   7   7.123   6.842   0.143
   52    HB   ILE   7           HB       ILE   7   4.749   7.209   0.399
   53   1HG1  ILE   7          2HG1      ILE   7   3.775   7.837   2.686
   54   2HG1  ILE   7          1HG1      ILE   7   5.400   8.305   3.172
   55   1HG2  ILE   7          1HG2      ILE   7   5.765   5.023   1.497
   56   2HG2  ILE   7          2HG2      ILE   7   4.102   5.432   1.883
   57   3HG2  ILE   7          3HG2      ILE   7   5.360   5.775   3.027
   58   1HD1  ILE   7          1HD1      ILE   7   5.192  10.253   2.092
   59   2HD1  ILE   7          2HD1      ILE   7   3.490   9.857   1.857
   60   3HD1  ILE   7          3HD1      ILE   7   4.649   9.486   0.602
   61    HA   PRO   8           HA       PRO   8   7.790  11.177  -1.052
   62   1HB   PRO   8          2HB       PRO   8   4.915  11.078  -1.920
   63   2HB   PRO   8          1HB       PRO   8   6.319  11.723  -2.768
   64   1HG   PRO   8          2HG       PRO   8   5.223   9.276  -3.190
   65   2HG   PRO   8          1HG       PRO   8   6.929   9.581  -3.517
   66   1HD   PRO   8          2HD       PRO   8   5.648   7.945  -1.413
   67   2HD   PRO   8          1HD       PRO   8   7.356   7.955  -1.901
   68    H    LYS   9           H        LYS   9   7.691  11.414   1.319
   69    HA   LYS   9           HA       LYS   9   6.058  12.140   3.188
   70   1HB   LYS   9          2HB       LYS   9   8.620  12.809   2.752
   71   2HB   LYS   9          1HB       LYS   9   7.928  14.403   2.534
   72   1HG   LYS   9          2HG       LYS   9   6.910  12.874   4.914
   73   2HG   LYS   9          1HG       LYS   9   8.611  13.194   4.989
   74   1HD   LYS   9          2HD       LYS   9   6.847  15.561   4.261
   75   2HD   LYS   9          1HD       LYS   9   6.609  14.899   5.850
   76   1HE   LYS   9          2HE       LYS   9   8.321  16.669   5.955
   77   2HE   LYS   9          1HE       LYS   9   9.033  15.114   6.371
   78   1HZ   LYS   9          1HZ       LYS   9   9.811  16.842   4.308
   79   2HZ   LYS   9          2HZ       LYS   9   9.137  15.469   3.579
   80   3HZ   LYS   9          3HZ       LYS   9  10.425  15.295   4.655
   81    H    SER  10           H        SER  10   4.118  12.492   1.837
   82    HA   SER  10           HA       SER  10   3.286  15.320   2.131
   83   1HB   SER  10          2HB       SER  10   2.333  15.312  -0.204
   84   2HB   SER  10          1HB       SER  10   4.066  14.964  -0.250
   85    HG   SER  10           HG       SER  10   3.665  12.999  -0.813
   86    H    ARG  11           H        ARG  11   1.254  13.220   0.346
   87    HA   ARG  11           HA       ARG  11  -0.307  12.535   2.724
   88   1HB   ARG  11          2HB       ARG  11  -2.313  13.169   1.284
   89   2HB   ARG  11          1HB       ARG  11  -1.380  14.524   1.876
   90   1HG   ARG  11          2HG       ARG  11  -0.118  14.057  -0.577
   91   2HG   ARG  11          1HG       ARG  11  -1.668  13.338  -0.910
   92   1HD   ARG  11          2HD       ARG  11  -1.724  15.625  -1.617
   93   2HD   ARG  11          1HD       ARG  11  -2.760  15.524  -0.198
   94    HE   ARG  11           HE       ARG  11  -0.675  16.362   1.105
   95   1HH1  ARG  11          2HH1      ARG  11  -2.278  18.059  -0.882
   96   2HH1  ARG  11          1HH1      ARG  11  -1.080  19.100  -1.562
   97   1HH2  ARG  11          1HH2      ARG  11   1.485  17.020  -0.213
   98   2HH2  ARG  11          2HH2      ARG  11   1.236  18.430  -1.157
   99    H    CYS  12           H        CYS  12   1.334  10.885   0.905
  100    HA   CYS  12           HA       CYS  12  -0.821   9.122  -0.101
  101   1HB   CYS  12          2HB       CYS  12   0.630   8.278  -1.644
  102   2HB   CYS  12          1HB       CYS  12   1.317   9.834  -1.546
  103    H    THR  13           H        THR  13  -1.136   7.132   0.821
  104    HA   THR  13           HA       THR  13   0.770   5.985   2.632
  105    HB   THR  13           HB       THR  13  -0.352   6.537   4.602
  106    HG1  THR  13          1HG       THR  13  -2.603   5.705   3.102
  107   1HG2  THR  13          1HG2      THR  13  -2.002   8.260   2.720
  108   2HG2  THR  13          2HG2      THR  13  -0.681   8.750   3.756
  109   3HG2  THR  13          3HG2      THR  13  -2.220   8.274   4.465
  110    H    ALA  14           H        ALA  14   0.308   3.769   3.114
  111    HA   ALA  14           HA       ALA  14  -1.113   2.518   0.948
  112   1HB   ALA  14          1HB       ALA  14  -0.988   0.621   3.119
  113   2HB   ALA  14          2HB       ALA  14   0.461   1.591   3.288
  114   3HB   ALA  14          3HB       ALA  14   0.140   0.734   1.784
  115    H    PHE  15           H        PHE  15  -2.113   4.053   3.793
  116    HA   PHE  15           HA       PHE  15  -4.509   2.542   4.278
  117   1HB   PHE  15          2HB       PHE  15  -4.162   5.363   5.176
  118   2HB   PHE  15          1HB       PHE  15  -4.787   3.978   6.029
  119    HD1  PHE  15          1HD       PHE  15  -2.484   6.215   6.506
  120    HD2  PHE  15          2HD       PHE  15  -2.577   2.018   5.812
  121    HE1  PHE  15          1HE       PHE  15  -0.351   6.011   7.614
  122    HE2  PHE  15          2HE       PHE  15  -0.445   1.780   6.909
  123    HZ   PHE  15           HZ       PHE  15   0.723   3.775   7.855
  124    H    GLN  16           H        GLN  16  -3.509   4.403   1.828
  125    HA   GLN  16           HA       GLN  16  -6.215   5.093   0.946
  126   1HB   GLN  16          2HB       GLN  16  -4.406   7.382   0.436
  127   2HB   GLN  16          1HB       GLN  16  -6.075   7.318   0.951
  128   1HG   GLN  16          2HG       GLN  16  -5.116   6.589   3.281
  129   2HG   GLN  16          1HG       GLN  16  -3.600   7.122   2.634
  130   1HE2  GLN  16          1HE2      GLN  16  -5.087   9.175   1.051
  131   2HE2  GLN  16          2HE2      GLN  16  -5.448  10.441   2.130
  132    H    CYS  17           H        CYS  17  -2.979   5.949   0.035
  133    HA   CYS  17           HA       CYS  17  -2.874   6.166  -2.656
  134   1HB   CYS  17          2HB       CYS  17  -0.778   5.568  -0.883
  135   2HB   CYS  17          1HB       CYS  17  -0.874   4.125  -1.770
  136    H    LYS  18           H        LYS  18  -2.963   3.224  -1.020
  137    HA   LYS  18           HA       LYS  18  -4.447   1.851  -3.022
  138   1HB   LYS  18          2HB       LYS  18  -2.030   2.086  -4.075
  139   2HB   LYS  18          1HB       LYS  18  -1.527   0.956  -2.852
  140   1HG   LYS  18          2HG       LYS  18  -2.017  -0.339  -4.838
  141   2HG   LYS  18          1HG       LYS  18  -3.283  -0.648  -3.674
  142   1HD   LYS  18          2HD       LYS  18  -4.862   0.030  -5.192
  143   2HD   LYS  18          1HD       LYS  18  -4.254   1.654  -5.024
  144   1HE   LYS  18          2HE       LYS  18  -4.000   1.463  -7.224
  145   2HE   LYS  18          1HE       LYS  18  -2.408   0.946  -6.685
  146   1HZ   LYS  18          1HZ       LYS  18  -4.293  -0.555  -8.175
  147   2HZ   LYS  18          2HZ       LYS  18  -4.108  -1.306  -6.669
  148   3HZ   LYS  18          3HZ       LYS  18  -2.758  -1.053  -7.672
  149    H    HIS  19           H        HIS  19  -5.450   1.570  -0.825
  150    HA   HIS  19           HA       HIS  19  -4.739   0.220   1.350
  151   1HB   HIS  19          2HB       HIS  19  -7.167  -0.136  -0.429
  152   2HB   HIS  19          1HB       HIS  19  -7.061  -0.899   1.139
  153    HD1  HIS  19          1HD       HIS  19  -6.943   0.695   3.192
  154    HD2  HIS  19          2HD       HIS  19  -7.606   2.570  -0.464
  155    HE1  HIS  19          1HE       HIS  19  -7.710   3.036   3.588
  156    H    SER  20           H        SER  20  -6.289  -2.032  -0.894
  157    HA   SER  20           HA       SER  20  -4.704  -4.182   0.136
  158   1HB   SER  20          2HB       SER  20  -6.332  -4.593  -2.339
  159   2HB   SER  20          1HB       SER  20  -6.327  -5.494  -0.813
  160    HG   SER  20           HG       SER  20  -8.079  -4.310  -0.369
  161    H    ALA  21           H        ALA  21  -2.734  -3.324  -0.391
  162    HA   ALA  21           HA       ALA  21  -1.364  -4.548  -2.533
  163   1HB   ALA  21          1HB       ALA  21  -1.524  -1.554  -2.866
  164   2HB   ALA  21          2HB       ALA  21  -2.539  -2.632  -3.824
  165   3HB   ALA  21          3HB       ALA  21  -0.790  -2.689  -3.976
  166    H    LYS  22           H        LYS  22  -1.483  -2.546   0.204
  167    HA   LYS  22           HA       LYS  22   1.155  -1.558   0.225
  168   1HB   LYS  22          2HB       LYS  22   0.911  -1.326   2.590
  169   2HB   LYS  22          1HB       LYS  22  -0.700  -1.148   1.920
  170   1HG   LYS  22          2HG       LYS  22  -1.359  -3.374   2.627
  171   2HG   LYS  22          1HG       LYS  22   0.300  -3.765   3.114
  172   1HD   LYS  22          2HD       LYS  22   0.329  -2.151   4.798
  173   2HD   LYS  22          1HD       LYS  22  -1.142  -1.367   4.231
  174   1HE   LYS  22          2HE       LYS  22  -2.568  -2.957   5.173
  175   2HE   LYS  22          1HE       LYS  22  -1.373  -4.242   5.111
  176   1HZ   LYS  22          1HZ       LYS  22  -1.983  -2.593   7.305
  177   2HZ   LYS  22          2HZ       LYS  22  -0.400  -2.225   6.827
  178   3HZ   LYS  22          3HZ       LYS  22  -0.826  -3.823   7.183
  179    H    TYR  23           H        TYR  23   0.187  -4.769   0.419
  180    HA   TYR  23           HA       TYR  23   2.799  -5.711   1.495
  181   1HB   TYR  23          2HB       TYR  23   1.518  -7.958   1.466
  182   2HB   TYR  23          1HB       TYR  23   0.819  -6.724   2.507
  183    HD1  TYR  23          1HD       TYR  23   0.493  -8.452  -0.727
  184    HD2  TYR  23          2HD       TYR  23  -1.263  -5.597   1.897
  185    HE1  TYR  23          1HE       TYR  23  -1.539  -8.469  -2.070
  186    HE2  TYR  23          2HE       TYR  23  -3.296  -5.609   0.556
  187    HH   TYR  23           HH       TYR  23  -3.921  -7.920  -1.849
  188    H    ARG  24           H        ARG  24   1.693  -4.741  -1.282
  189    HA   ARG  24           HA       ARG  24   3.103  -6.645  -3.006
  190   1HB   ARG  24          2HB       ARG  24   0.740  -4.827  -3.310
  191   2HB   ARG  24          1HB       ARG  24   1.727  -5.110  -4.719
  192   1HG   ARG  24          2HG       ARG  24   1.244  -7.481  -4.668
  193   2HG   ARG  24          1HG       ARG  24   0.865  -7.452  -2.967
  194   1HD   ARG  24          2HD       ARG  24  -1.096  -7.677  -4.689
  195   2HD   ARG  24          1HD       ARG  24  -1.298  -6.625  -3.295
  196    HE   ARG  24           HE       ARG  24  -1.076  -4.703  -4.686
  197   1HH1  ARG  24          2HH1      ARG  24  -2.880  -6.188  -6.370
  198   2HH1  ARG  24          1HH1      ARG  24  -2.127  -6.272  -7.915
  199   1HH2  ARG  24          1HH2      ARG  24   1.001  -5.387  -6.422
  200   2HH2  ARG  24          2HH2      ARG  24   0.303  -5.736  -7.950
  201    H    LEU  25           H        LEU  25   2.622  -3.129  -2.444
  202    HA   LEU  25           HA       LEU  25   5.110  -2.696  -3.978
  203   1HB   LEU  25          2HB       LEU  25   4.349  -0.251  -2.674
  204   2HB   LEU  25          1HB       LEU  25   4.294  -0.712  -4.328
  205    HG   LEU  25           HG       LEU  25   2.118   0.164  -3.756
  206   1HD1  LEU  25          1HD1      LEU  25   1.265  -2.657  -3.856
  207   2HD1  LEU  25          2HD1      LEU  25   2.381  -2.176  -5.116
  208   3HD1  LEU  25          3HD1      LEU  25   0.881  -1.305  -4.897
  209   1HD2  LEU  25          1HD2      LEU  25   2.146   0.090  -1.531
  210   2HD2  LEU  25          2HD2      LEU  25   2.242  -1.664  -1.480
  211   3HD2  LEU  25          3HD2      LEU  25   0.770  -0.874  -2.046
  212    H    SER  26           H        SER  26   3.909  -1.370  -0.998
  213    HA   SER  26           HA       SER  26   5.323  -2.826   0.943
  214   1HB   SER  26          2HB       SER  26   6.910  -0.459  -0.191
  215   2HB   SER  26          1HB       SER  26   6.973  -0.769   1.542
  216    HG   SER  26           HG       SER  26   7.277  -2.870  -0.321
  217    H    PHE  27           H        PHE  27   4.341   0.331  -0.118
  218    HA   PHE  27           HA       PHE  27   2.420   0.584   2.040
  219   1HB   PHE  27          2HB       PHE  27   4.915   2.290   1.948
  220   2HB   PHE  27          1HB       PHE  27   3.433   2.873   2.654
  221    HD1  PHE  27          1HD       PHE  27   2.398   1.466   4.578
  222    HD2  PHE  27          2HD       PHE  27   6.372   0.886   3.155
  223    HE1  PHE  27          1HE       PHE  27   2.968   0.285   6.634
  224    HE2  PHE  27          2HE       PHE  27   6.943  -0.298   5.206
  225    HZ   PHE  27           HZ       PHE  27   5.255  -0.604   6.969
  226    H    CYS  28           H        CYS  28   4.211   2.779   0.017
  227    HA   CYS  28           HA       CYS  28   1.702   3.965  -1.049
  228   1HB   CYS  28          2HB       CYS  28   4.279   4.941  -0.096
  229   2HB   CYS  28          1HB       CYS  28   3.835   5.734  -1.501
  230    H    ARG  29           H        ARG  29   1.699   4.622  -3.210
  231    HA   ARG  29           HA       ARG  29   3.709   4.084  -5.126
  232   1HB   ARG  29          2HB       ARG  29   2.961   1.759  -4.326
  233   2HB   ARG  29          1HB       ARG  29   1.566   1.941  -5.309
  234   1HG   ARG  29          2HG       ARG  29   3.262   2.435  -7.197
  235   2HG   ARG  29          1HG       ARG  29   4.489   2.139  -5.995
  236   1HD   ARG  29          2HD       ARG  29   4.247  -0.073  -6.680
  237   2HD   ARG  29          1HD       ARG  29   2.903  -0.066  -5.580
  238    HE   ARG  29           HE       ARG  29   1.574   0.912  -7.517
  239   1HH1  ARG  29          1HH2      ARG  29   4.372   0.283  -8.767
  240   2HH1  ARG  29          2HH2      ARG  29   4.044  -1.057  -9.786
  241   1HH2  ARG  29          2HH1      ARG  29   0.870  -1.466  -8.020
  242   2HH2  ARG  29          1HH1      ARG  29   1.778  -2.237  -9.282
  243    H    LYS  30           H        LYS  30   0.481   3.064  -5.904
  244    HA   LYS  30           HA       LYS  30   0.164   4.417  -8.302
  245   1HB   LYS  30          2HB       LYS  30  -1.574   2.896  -7.634
  246   2HB   LYS  30          1HB       LYS  30  -1.973   3.832  -6.202
  247   1HG   LYS  30          2HG       LYS  30  -3.731   4.185  -7.833
  248   2HG   LYS  30          1HG       LYS  30  -2.868   5.685  -7.675
  249   1HD   LYS  30          2HD       LYS  30  -1.455   4.659  -9.777
  250   2HD   LYS  30          1HD       LYS  30  -2.895   3.685  -9.974
  251   1HE   LYS  30          2HE       LYS  30  -3.148   5.647 -11.386
  252   2HE   LYS  30          1HE       LYS  30  -4.277   5.810 -10.057
  253   1HZ   LYS  30          1HZ       LYS  30  -2.122   7.540 -10.747
  254   2HZ   LYS  30          2HZ       LYS  30  -1.824   6.907  -9.236
  255   3HZ   LYS  30          3HZ       LYS  30  -3.266   7.736  -9.517
  256    H    THR  31           H        THR  31  -0.567   5.863  -5.246
  257    HA   THR  31           HA       THR  31  -1.076   8.589  -6.369
  258    HB   THR  31           HB       THR  31  -1.473   7.418  -3.716
  259    HG1  THR  31          1HG       THR  31  -3.739   7.156  -4.886
  260   1HG2  THR  31          1HG2      THR  31  -1.967   9.942  -4.007
  261   2HG2  THR  31          2HG2      THR  31  -3.435   9.063  -3.606
  262   3HG2  THR  31          3HG2      THR  31  -3.116   9.536  -5.277
  263    H    CYS  32           H        CYS  32   1.166   6.849  -5.320
  264    HA   CYS  32           HA       CYS  32   2.772   8.932  -3.938
  265   1HB   CYS  32          2HB       CYS  32   3.386   6.045  -3.917
  266   2HB   CYS  32          1HB       CYS  32   3.775   7.312  -2.814
  267    H    GLY  33           H        GLY  33   2.666   7.255  -6.874
  268   1HA   GLY  33          2HA       GLY  33   4.257   6.903  -8.585
  269   2HA   GLY  33          1HA       GLY  33   4.697   8.560  -8.190
  270    H    THR  34           H        THR  34   5.182   6.210  -5.765
  271    HA   THR  34           HA       THR  34   8.109   6.511  -6.091
  272    HB   THR  34           HB       THR  34   6.750   7.093  -4.028
  273    HG1  THR  34          1HG       THR  34   9.138   5.695  -4.255
  274   1HG2  THR  34          1HG2      THR  34   6.995   4.084  -3.477
  275   2HG2  THR  34          2HG2      THR  34   5.485   4.952  -3.691
  276   3HG2  THR  34          3HG2      THR  34   6.515   5.301  -2.317
  277   1HN   ABA  35           HN       ABA  35   5.851   3.881  -5.782
  278    HA   ABA  35           HA       ABA  35   8.065   1.965  -6.460
  279   1HB   ABA  35          1HB       ABA  35   6.464   0.293  -5.134
  280   2HB   ABA  35          2HB       ABA  35   5.814   1.761  -4.436
  281   1HG   ABA  35          1HG       ABA  35   8.582   0.617  -4.187
  282   2HG   ABA  35          2HG       ABA  35   7.542   1.244  -2.918
  283   3HG   ABA  35          3HG       ABA  35   8.374   2.347  -3.999
  Start of MODEL    2
    1   1H    ARG   1          1H        ARG   1  -5.090  13.294   6.086
    2   2H    ARG   1          2H        ARG   1  -4.404  13.768   7.559
    3   3H    ARG   1          3H        ARG   1  -3.505  12.854   6.446
    4    HA   ARG   1           HA       ARG   1  -4.339  15.088   5.044
    5   1HB   ARG   1          2HB       ARG   1  -4.730  16.456   7.036
    6   2HB   ARG   1          1HB       ARG   1  -3.443  15.690   7.928
    7   1HG   ARG   1          2HG       ARG   1  -2.008  17.317   7.383
    8   2HG   ARG   1          1HG       ARG   1  -2.184  17.048   5.680
    9   1HD   ARG   1          2HD       ARG   1  -4.300  18.699   7.095
   10   2HD   ARG   1          1HD       ARG   1  -2.733  19.401   6.747
   11    HE   ARG   1           HE       ARG   1  -3.280  18.445   4.296
   12   1HH1  ARG   1          2HH1      ARG   1  -3.783  21.224   4.743
   13   2HH1  ARG   1          1HH1      ARG   1  -5.450  21.481   4.415
   14   1HH2  ARG   1          2HH2      ARG   1  -6.090  17.994   4.711
   15   2HH2  ARG   1          1HH2      ARG   1  -6.859  19.502   4.405
   16    H    SER   2           H        SER   2  -1.677  13.496   6.846
   17    HA   SER   2           HA       SER   2  -0.093  14.177   4.444
   18   1HB   SER   2          2HB       SER   2   0.647  15.282   6.733
   19   2HB   SER   2          1HB       SER   2   1.096  13.639   7.226
   20    HG   SER   2           HG       SER   2   2.318  15.312   5.463
   21   1HN   ABA   3           HN       ABA   3   2.012  12.636   4.999
   22    HA   ABA   3           HA       ABA   3   0.993   9.896   4.598
   23   1HB   ABA   3          1HB       ABA   3   2.450  10.891   2.786
   24   2HB   ABA   3          2HB       ABA   3   3.223   9.514   3.528
   25   1HG   ABA   3          1HG       ABA   3   4.204  11.555   5.126
   26   2HG   ABA   3          2HG       ABA   3   3.950  12.418   3.617
   27   3HG   ABA   3          3HG       ABA   3   4.982  10.993   3.665
   28    H    ILE   4           H        ILE   4   3.292   8.474   5.282
   29    HA   ILE   4           HA       ILE   4   3.571   8.947   8.164
   30    HB   ILE   4           HB       ILE   4   4.021   6.488   8.087
   31   1HG1  ILE   4          2HG1      ILE   4   4.660   6.283   5.594
   32   2HG1  ILE   4          1HG1      ILE   4   3.587   5.066   6.212
   33   1HG2  ILE   4          1HG2      ILE   4   1.575   5.907   7.380
   34   2HG2  ILE   4          2HG2      ILE   4   1.407   7.658   7.293
   35   3HG2  ILE   4          3HG2      ILE   4   1.906   6.897   8.806
   36   1HD1  ILE   4          1HD1      ILE   4   1.858   7.062   5.186
   37   2HD1  ILE   4          2HD1      ILE   4   2.329   5.531   4.440
   38   3HD1  ILE   4          3HD1      ILE   4   3.213   6.993   4.072
   39    H    ASP   5           H        ASP   5   5.595   6.662   7.105
   40    HA   ASP   5           HA       ASP   5   7.867   8.525   6.897
   41   1HB   ASP   5          2HB       ASP   5   8.144   5.529   7.240
   42   2HB   ASP   5          1HB       ASP   5   9.187   6.806   7.828
   43    H    THR   6           H        THR   6   6.180   8.160   4.569
   44    HA   THR   6           HA       THR   6   7.774   6.418   2.808
   45    HB   THR   6           HB       THR   6   5.737   7.344   1.218
   46    HG1  THR   6          1HG       THR   6   4.641   8.682   2.446
   47   1HG2  THR   6          1HG2      THR   6   5.585   5.455   3.638
   48   2HG2  THR   6          2HG2      THR   6   5.707   4.992   1.950
   49   3HG2  THR   6          3HG2      THR   6   4.218   5.688   2.571
   50    H    ILE   7           H        ILE   7   8.601   7.188   0.843
   51    HA   ILE   7           HA       ILE   7  10.185   9.537   1.075
   52    HB   ILE   7           HB       ILE   7   9.899   8.858  -1.753
   53   1HG1  ILE   7          2HG1      ILE   7   8.915   6.655  -1.060
   54   2HG1  ILE   7          1HG1      ILE   7  10.455   6.498  -1.824
   55   1HG2  ILE   7          1HG2      ILE   7  12.252   8.285  -1.600
   56   2HG2  ILE   7          2HG2      ILE   7  12.155   8.168   0.149
   57   3HG2  ILE   7          3HG2      ILE   7  11.936   9.719  -0.638
   58   1HD1  ILE   7          1HD1      ILE   7   9.868   5.253   0.539
   59   2HD1  ILE   7          2HD1      ILE   7  10.643   6.701   1.163
   60   3HD1  ILE   7          3HD1      ILE   7  11.494   5.665   0.035
   61    HA   PRO   8           HA       PRO   8   6.949  11.813  -1.777
   62   1HB   PRO   8          2HB       PRO   8   4.414  10.538  -1.617
   63   2HB   PRO   8          1HB       PRO   8   5.437  10.636  -3.050
   64   1HG   PRO   8          2HG       PRO   8   5.108   8.397  -1.117
   65   2HG   PRO   8          1HG       PRO   8   5.536   8.353  -2.826
   66   1HD   PRO   8          2HD       PRO   8   7.301   7.913  -0.771
   67   2HD   PRO   8          1HD       PRO   8   7.815   8.514  -2.350
   68    H    LYS   9           H        LYS   9   7.503  12.772   0.101
   69    HA   LYS   9           HA       LYS   9   6.042  12.473   2.594
   70   1HB   LYS   9          2HB       LYS   9   8.492  13.216   2.209
   71   2HB   LYS   9          1HB       LYS   9   7.848  14.791   1.801
   72   1HG   LYS   9          2HG       LYS   9   6.671  13.686   4.284
   73   2HG   LYS   9          1HG       LYS   9   8.407  13.750   4.382
   74   1HD   LYS   9          2HD       LYS   9   8.385  16.011   4.699
   75   2HD   LYS   9          1HD       LYS   9   7.467  16.266   3.219
   76   1HE   LYS   9          2HE       LYS   9   5.351  15.877   4.338
   77   2HE   LYS   9          1HE       LYS   9   6.155  15.401   5.827
   78   1HZ   LYS   9          1HZ       LYS   9   7.082  17.973   5.048
   79   2HZ   LYS   9          2HZ       LYS   9   6.238  17.532   6.439
   80   3HZ   LYS   9          3HZ       LYS   9   5.397  17.982   5.035
   81    H    SER  10           H        SER  10   4.231  12.730   0.945
   82    HA   SER  10           HA       SER  10   2.960  15.419   1.093
   83   1HB   SER  10          2HB       SER  10   2.473  13.249  -1.065
   84   2HB   SER  10          1HB       SER  10   1.827  14.893  -1.082
   85    HG   SER  10           HG       SER  10   4.567  14.725  -0.724
   86    H    ARG  11           H        ARG  11   0.785  13.278  -0.117
   87    HA   ARG  11           HA       ARG  11  -0.113  12.319   2.524
   88   1HB   ARG  11          2HB       ARG  11  -1.510  14.199   2.038
   89   2HB   ARG  11          1HB       ARG  11  -1.611  13.843   0.341
   90   1HG   ARG  11          2HG       ARG  11  -2.666  11.576   1.869
   91   2HG   ARG  11          1HG       ARG  11  -3.367  13.033   2.504
   92   1HD   ARG  11          2HD       ARG  11  -4.542  11.798   0.459
   93   2HD   ARG  11          1HD       ARG  11  -4.422  13.565   0.465
   94    HE   ARG  11           HE       ARG  11  -2.189  12.130  -0.819
   95   1HH1  ARG  11          2HH1      ARG  11  -5.284  13.438  -1.255
   96   2HH1  ARG  11          1HH1      ARG  11  -5.084  13.893  -2.902
   97   1HH2  ARG  11          1HH2      ARG  11  -1.712  12.783  -2.914
   98   2HH2  ARG  11          2HH2      ARG  11  -2.936  13.448  -3.889
   99    H    CYS  12           H        CYS  12   1.072  10.390   1.805
  100    HA   CYS  12           HA       CYS  12  -0.602   8.753   0.025
  101   1HB   CYS  12          2HB       CYS  12   1.107   8.184  -1.361
  102   2HB   CYS  12          1HB       CYS  12   1.647   9.750  -1.050
  103    H    THR  13           H        THR  13  -1.072   6.973   1.035
  104    HA   THR  13           HA       THR  13   0.607   5.842   3.112
  105    HB   THR  13           HB       THR  13  -0.796   6.393   4.864
  106    HG1  THR  13          1HG       THR  13  -3.237   6.573   4.103
  107   1HG2  THR  13          1HG2      THR  13  -0.796   8.675   3.773
  108   2HG2  THR  13          2HG2      THR  13  -2.336   8.371   4.543
  109   3HG2  THR  13          3HG2      THR  13  -2.174   8.206   2.803
  110    H    ALA  14           H        ALA  14   0.023   3.643   3.563
  111    HA   ALA  14           HA       ALA  14  -1.197   2.426   1.212
  112   1HB   ALA  14          1HB       ALA  14   0.597   1.603   3.349
  113   2HB   ALA  14          2HB       ALA  14   0.177   0.747   1.875
  114   3HB   ALA  14          3HB       ALA  14  -0.770   0.504   3.341
  115    H    PHE  15           H        PHE  15  -2.474   4.137   3.588
  116    HA   PHE  15           HA       PHE  15  -4.721   2.458   4.323
  117   1HB   PHE  15          2HB       PHE  15  -4.426   5.243   5.289
  118   2HB   PHE  15          1HB       PHE  15  -4.898   3.774   6.107
  119    HD1  PHE  15          1HD       PHE  15  -2.582   1.994   5.592
  120    HD2  PHE  15          2HD       PHE  15  -2.709   6.111   6.686
  121    HE1  PHE  15          1HE       PHE  15  -0.361   1.795   6.544
  122    HE2  PHE  15          2HE       PHE  15  -0.504   5.926   7.644
  123    HZ   PHE  15           HZ       PHE  15   0.718   3.770   7.603
  124    H    GLN  16           H        GLN  16  -3.642   4.416   1.910
  125    HA   GLN  16           HA       GLN  16  -6.338   4.975   0.923
  126   1HB   GLN  16          2HB       GLN  16  -5.053   7.381   0.432
  127   2HB   GLN  16          1HB       GLN  16  -6.497   7.053   1.388
  128   1HG   GLN  16          2HG       GLN  16  -5.165   6.698   3.377
  129   2HG   GLN  16          1HG       GLN  16  -3.714   6.845   2.355
  130   1HE2  GLN  16          1HE2      GLN  16  -5.546   9.007   0.952
  131   2HE2  GLN  16          2HE2      GLN  16  -5.193  10.386   1.899
  132    H    CYS  17           H        CYS  17  -2.937   5.806   0.368
  133    HA   CYS  17           HA       CYS  17  -2.726   6.453  -2.178
  134   1HB   CYS  17          2HB       CYS  17  -0.682   5.437  -0.607
  135   2HB   CYS  17          1HB       CYS  17  -0.966   4.048  -1.575
  136    H    LYS  18           H        LYS  18  -2.882   3.279  -1.120
  137    HA   LYS  18           HA       LYS  18  -4.653   2.231  -3.114
  138   1HB   LYS  18          2HB       LYS  18  -2.622   2.429  -4.462
  139   2HB   LYS  18          1HB       LYS  18  -1.672   1.590  -3.273
  140   1HG   LYS  18          2HG       LYS  18  -2.080  -0.011  -5.058
  141   2HG   LYS  18          1HG       LYS  18  -2.949  -0.513  -3.648
  142   1HD   LYS  18          2HD       LYS  18  -4.814   1.200  -4.995
  143   2HD   LYS  18          1HD       LYS  18  -4.071   0.302  -6.286
  144   1HE   LYS  18          2HE       LYS  18  -5.367  -0.926  -3.786
  145   2HE   LYS  18          1HE       LYS  18  -6.130  -0.815  -5.361
  146   1HZ   LYS  18          1HZ       LYS  18  -5.148  -2.696  -5.925
  147   2HZ   LYS  18          2HZ       LYS  18  -4.399  -2.815  -4.428
  148   3HZ   LYS  18          3HZ       LYS  18  -3.606  -2.003  -5.694
  149    H    HIS  19           H        HIS  19  -5.566   1.652  -0.899
  150    HA   HIS  19           HA       HIS  19  -4.624   0.272   1.155
  151   1HB   HIS  19          2HB       HIS  19  -7.154  -0.316  -0.459
  152   2HB   HIS  19          1HB       HIS  19  -6.863  -0.951   1.143
  153    HD1  HIS  19          1HD       HIS  19  -7.017   0.689   3.091
  154    HD2  HIS  19          2HD       HIS  19  -7.575   2.450  -0.637
  155    HE1  HIS  19          1HE       HIS  19  -7.874   2.989   3.395
  156    H    SER  20           H        SER  20  -6.252  -1.987  -0.942
  157    HA   SER  20           HA       SER  20  -4.669  -4.169  -0.105
  158   1HB   SER  20          2HB       SER  20  -6.222  -4.641  -2.549
  159   2HB   SER  20          1HB       SER  20  -6.462  -5.275  -0.920
  160    HG   SER  20           HG       SER  20  -8.125  -3.911  -0.905
  161    H    ALA  21           H        ALA  21  -2.650  -3.320  -0.603
  162    HA   ALA  21           HA       ALA  21  -1.299  -4.541  -2.747
  163   1HB   ALA  21          1HB       ALA  21  -2.374  -2.537  -4.028
  164   2HB   ALA  21          2HB       ALA  21  -0.642  -2.735  -4.165
  165   3HB   ALA  21          3HB       ALA  21  -1.282  -1.521  -3.075
  166    H    LYS  22           H        LYS  22  -1.439  -2.568   0.024
  167    HA   LYS  22           HA       LYS  22   1.235  -1.678   0.117
  168   1HB   LYS  22          2HB       LYS  22   0.935  -1.592   2.544
  169   2HB   LYS  22          1HB       LYS  22  -0.564  -1.110   1.764
  170   1HG   LYS  22          2HG       LYS  22  -1.652  -3.199   2.259
  171   2HG   LYS  22          1HG       LYS  22  -0.129  -3.944   2.772
  172   1HD   LYS  22          2HD       LYS  22   0.071  -2.659   4.674
  173   2HD   LYS  22          1HD       LYS  22  -1.036  -1.418   4.096
  174   1HE   LYS  22          2HE       LYS  22  -2.835  -3.354   4.247
  175   2HE   LYS  22          1HE       LYS  22  -1.676  -4.092   5.349
  176   1HZ   LYS  22          1HZ       LYS  22  -1.923  -1.360   6.017
  177   2HZ   LYS  22          2HZ       LYS  22  -2.385  -2.703   6.946
  178   3HZ   LYS  22          3HZ       LYS  22  -3.480  -2.004   5.866
  179    H    TYR  23           H        TYR  23   0.069  -4.835   0.223
  180    HA   TYR  23           HA       TYR  23   2.594  -5.937   1.354
  181   1HB   TYR  23          2HB       TYR  23   1.176  -8.146   1.042
  182   2HB   TYR  23          1HB       TYR  23   0.715  -7.016   2.301
  183    HD1  TYR  23          1HD       TYR  23  -1.264  -5.665   2.128
  184    HD2  TYR  23          2HD       TYR  23  -0.229  -8.299  -1.045
  185    HE1  TYR  23          1HE       TYR  23  -3.487  -5.372   1.174
  186    HE2  TYR  23          2HE       TYR  23  -2.472  -8.001  -2.006
  187    HH   TYR  23           HH       TYR  23  -4.732  -7.348  -1.207
  188    H    ARG  24           H        ARG  24   1.829  -4.733  -1.362
  189    HA   ARG  24           HA       ARG  24   3.267  -6.646  -3.049
  190   1HB   ARG  24          2HB       ARG  24   0.838  -4.959  -3.455
  191   2HB   ARG  24          1HB       ARG  24   1.901  -5.170  -4.827
  192   1HG   ARG  24          2HG       ARG  24   1.485  -7.550  -4.878
  193   2HG   ARG  24          1HG       ARG  24   1.215  -7.630  -3.160
  194   1HD   ARG  24          2HD       ARG  24  -0.851  -7.931  -4.699
  195   2HD   ARG  24          1HD       ARG  24  -0.980  -6.874  -3.292
  196    HE   ARG  24           HE       ARG  24  -1.018  -4.963  -4.741
  197   1HH1  ARG  24          1HH2      ARG  24   1.135  -5.889  -6.390
  198   2HH1  ARG  24          2HH2      ARG  24   0.471  -6.092  -7.958
  199   1HH2  ARG  24          2HH1      ARG  24  -2.805  -6.207  -6.486
  200   2HH2  ARG  24          1HH1      ARG  24  -2.008  -6.341  -8.006
  201    H    LEU  25           H        LEU  25   2.675  -3.128  -2.510
  202    HA   LEU  25           HA       LEU  25   5.220  -2.687  -3.953
  203   1HB   LEU  25          2HB       LEU  25   4.383  -0.240  -2.735
  204   2HB   LEU  25          1HB       LEU  25   4.397  -0.743  -4.368
  205    HG   LEU  25           HG       LEU  25   2.246   0.135  -3.956
  206   1HD1  LEU  25          1HD1      LEU  25   1.477  -2.745  -3.992
  207   2HD1  LEU  25          2HD1      LEU  25   2.508  -2.142  -5.278
  208   3HD1  LEU  25          3HD1      LEU  25   0.948  -1.397  -4.976
  209   1HD2  LEU  25          1HD2      LEU  25   2.192  -1.679  -1.625
  210   2HD2  LEU  25          2HD2      LEU  25   0.792  -0.802  -2.231
  211   3HD2  LEU  25          3HD2      LEU  25   2.203   0.074  -1.652
  212    H    SER  26           H        SER  26   3.802  -1.479  -0.983
  213    HA   SER  26           HA       SER  26   5.323  -2.887   0.931
  214   1HB   SER  26          2HB       SER  26   6.718  -0.371  -0.120
  215   2HB   SER  26          1HB       SER  26   6.802  -0.725   1.602
  216    HG   SER  26           HG       SER  26   7.533  -2.477  -0.500
  217    H    PHE  27           H        PHE  27   4.360   0.249   0.036
  218    HA   PHE  27           HA       PHE  27   2.280   0.492   2.039
  219   1HB   PHE  27          2HB       PHE  27   4.812   2.141   2.255
  220   2HB   PHE  27          1HB       PHE  27   3.293   2.650   2.922
  221    HD1  PHE  27          1HD       PHE  27   2.161   1.049   4.673
  222    HD2  PHE  27          2HD       PHE  27   6.198   0.636   3.380
  223    HE1  PHE  27          1HE       PHE  27   2.649  -0.327   6.623
  224    HE2  PHE  27          2HE       PHE  27   6.685  -0.747   5.326
  225    HZ   PHE  27           HZ       PHE  27   4.916  -1.234   6.974
  226    H    CYS  28           H        CYS  28   4.406   2.682   0.270
  227    HA   CYS  28           HA       CYS  28   2.036   4.003  -0.924
  228   1HB   CYS  28          2HB       CYS  28   4.684   4.868  -0.024
  229   2HB   CYS  28          1HB       CYS  28   4.092   5.752  -1.319
  230    H    ARG  29           H        ARG  29   1.827   4.247  -2.921
  231    HA   ARG  29           HA       ARG  29   3.842   4.019  -4.988
  232   1HB   ARG  29          2HB       ARG  29   3.453   1.645  -4.359
  233   2HB   ARG  29          1HB       ARG  29   1.857   1.777  -5.127
  234   1HG   ARG  29          2HG       ARG  29   3.160   2.674  -7.203
  235   2HG   ARG  29          1HG       ARG  29   4.617   2.318  -6.316
  236   1HD   ARG  29          2HD       ARG  29   4.336   0.364  -7.584
  237   2HD   ARG  29          1HD       ARG  29   3.669  -0.108  -6.050
  238    HE   ARG  29           HE       ARG  29   1.434   0.796  -7.112
  239   1HH1  ARG  29          1HH2      ARG  29   3.178   0.922  -9.620
  240   2HH1  ARG  29          2HH2      ARG  29   2.704  -0.449 -10.552
  241   1HH2  ARG  29          2HH1      ARG  29   1.111  -1.810  -7.659
  242   2HH2  ARG  29          1HH1      ARG  29   1.443  -2.133  -9.325
  243    H    LYS  30           H        LYS  30   0.281   3.429  -4.875
  244    HA   LYS  30           HA       LYS  30  -0.012   4.559  -7.547
  245   1HB   LYS  30          2HB       LYS  30  -1.752   3.084  -6.571
  246   2HB   LYS  30          1HB       LYS  30  -2.029   4.238  -5.288
  247   1HG   LYS  30          2HG       LYS  30  -2.753   5.929  -7.053
  248   2HG   LYS  30          1HG       LYS  30  -2.563   4.676  -8.268
  249   1HD   LYS  30          2HD       LYS  30  -4.306   3.319  -7.226
  250   2HD   LYS  30          1HD       LYS  30  -4.370   4.395  -5.839
  251   1HE   LYS  30          2HE       LYS  30  -4.974   6.276  -7.578
  252   2HE   LYS  30          1HE       LYS  30  -5.328   4.952  -8.678
  253   1HZ   LYS  30          1HZ       LYS  30  -6.541   4.397  -6.198
  254   2HZ   LYS  30          2HZ       LYS  30  -7.305   4.740  -7.687
  255   3HZ   LYS  30          3HZ       LYS  30  -6.927   5.989  -6.616
  256    H    THR  31           H        THR  31  -1.537   6.073  -4.690
  257    HA   THR  31           HA       THR  31  -1.408   8.762  -5.669
  258    HB   THR  31           HB       THR  31  -1.460   7.762  -2.850
  259    HG1  THR  31          1HG       THR  31  -3.234   6.758  -3.873
  260   1HG2  THR  31          1HG2      THR  31  -3.210   9.748  -2.736
  261   2HG2  THR  31          2HG2      THR  31  -2.464  10.320  -4.223
  262   3HG2  THR  31          3HG2      THR  31  -1.503  10.182  -2.749
  263    H    CYS  32           H        CYS  32   0.872   6.781  -4.542
  264    HA   CYS  32           HA       CYS  32   2.784   8.842  -3.695
  265   1HB   CYS  32          2HB       CYS  32   3.417   5.997  -3.686
  266   2HB   CYS  32          1HB       CYS  32   3.767   7.265  -2.565
  267    H    GLY  33           H        GLY  33   2.284   7.036  -6.566
  268   1HA   GLY  33          2HA       GLY  33   3.755   6.491  -8.324
  269   2HA   GLY  33          1HA       GLY  33   4.080   8.215  -8.199
  270    H    THR  34           H        THR  34   5.018   6.048  -5.666
  271    HA   THR  34           HA       THR  34   7.871   6.625  -6.261
  272    HB   THR  34           HB       THR  34   6.891   7.398  -4.143
  273    HG1  THR  34          1HG       THR  34   9.099   5.794  -4.337
  274   1HG2  THR  34          1HG2      THR  34   6.097   6.031  -2.418
  275   2HG2  THR  34          2HG2      THR  34   6.958   4.616  -2.960
  276   3HG2  THR  34          3HG2      THR  34   5.484   5.118  -3.775
  277   1HN   ABA  35           HN       ABA  35   6.621   3.728  -4.587
  278    HA   ABA  35           HA       ABA  35   8.226   2.113  -6.520
  279   1HB   ABA  35          1HB       ABA  35   8.268   1.567  -3.528
  280   2HB   ABA  35          2HB       ABA  35   9.475   2.590  -4.294
  281   1HG   ABA  35          1HG       ABA  35   8.869  -0.315  -5.015
  282   2HG   ABA  35          2HG       ABA  35  10.313   0.240  -4.171
  283   3HG   ABA  35          3HG       ABA  35  10.050   0.682  -5.855
  Start of MODEL    3
    1   1H    ARG   1          1H        ARG   1  -4.522   8.313   8.423
    2   2H    ARG   1          2H        ARG   1  -3.181   8.308   7.380
    3   3H    ARG   1          3H        ARG   1  -4.544   7.402   6.992
    4    HA   ARG   1           HA       ARG   1  -5.283   9.048   5.796
    5   1HB   ARG   1          2HB       ARG   1  -6.208   9.601   8.359
    6   2HB   ARG   1          1HB       ARG   1  -5.330  11.075   8.041
    7   1HG   ARG   1          2HG       ARG   1  -7.057  10.188   5.751
    8   2HG   ARG   1          1HG       ARG   1  -7.954  10.433   7.224
    9   1HD   ARG   1          2HD       ARG   1  -7.959  12.671   6.841
   10   2HD   ARG   1          1HD       ARG   1  -6.214  12.717   7.006
   11    HE   ARG   1           HE       ARG   1  -6.020  12.269   4.569
   12   1HH1  ARG   1          2HH2      ARG   1  -7.480  14.846   5.088
   13   2HH1  ARG   1          1HH2      ARG   1  -8.860  14.792   4.055
   14   1HH2  ARG   1          2HH1      ARG   1  -8.362  11.288   3.585
   15   2HH2  ARG   1          1HH1      ARG   1  -9.402  12.584   3.133
   16    H    SER   2           H        SER   2  -2.259   9.628   7.299
   17    HA   SER   2           HA       SER   2  -1.819  11.673   5.275
   18   1HB   SER   2          2HB       SER   2   0.003  12.077   7.515
   19   2HB   SER   2          1HB       SER   2  -1.308  13.169   7.053
   20    HG   SER   2           HG       SER   2  -1.214  11.771   9.221
   21   1HN   ABA   3           HN       ABA   3   0.676  11.814   5.023
   22    HA   ABA   3           HA       ABA   3   1.713   9.518   3.914
   23   1HB   ABA   3          1HB       ABA   3   2.644  11.702   3.510
   24   2HB   ABA   3          2HB       ABA   3   3.939  10.705   4.102
   25   1HG   ABA   3          1HG       ABA   3   2.471  12.151   6.259
   26   2HG   ABA   3          2HG       ABA   3   3.352  13.181   5.142
   27   3HG   ABA   3          3HG       ABA   3   4.190  11.920   6.028
   28    H    ILE   4           H        ILE   4   3.425   7.959   4.657
   29    HA   ILE   4           HA       ILE   4   3.362   7.558   7.605
   30    HB   ILE   4           HB       ILE   4   2.294   5.722   6.961
   31   1HG1  ILE   4          2HG1      ILE   4   4.767   4.806   7.391
   32   2HG1  ILE   4          1HG1      ILE   4   3.406   3.778   7.070
   33   1HG2  ILE   4          1HG2      ILE   4   2.229   4.690   4.626
   34   2HG2  ILE   4          2HG2      ILE   4   3.178   6.075   4.105
   35   3HG2  ILE   4          3HG2      ILE   4   1.611   6.313   4.846
   36   1HD1  ILE   4          1HD1      ILE   4   4.584   4.525   4.512
   37   2HD1  ILE   4          2HD1      ILE   4   4.412   2.936   5.228
   38   3HD1  ILE   4          3HD1      ILE   4   5.815   3.908   5.583
   39    H    ASP   5           H        ASP   5   5.599   5.823   5.489
   40    HA   ASP   5           HA       ASP   5   7.816   7.258   6.817
   41   1HB   ASP   5          2HB       ASP   5   7.332   4.922   7.631
   42   2HB   ASP   5          1HB       ASP   5   7.824   4.288   6.081
   43    H    THR   6           H        THR   6   8.805   4.816   4.647
   44    HA   THR   6           HA       THR   6  10.418   6.479   3.105
   45    HB   THR   6           HB       THR   6  10.125   4.195   1.519
   46    HG1  THR   6          1HG       THR   6   8.881   2.887   2.621
   47   1HG2  THR   6          1HG2      THR   6  11.427   4.292   4.300
   48   2HG2  THR   6          2HG2      THR   6  12.236   4.802   2.828
   49   3HG2  THR   6          3HG2      THR   6  11.796   3.115   3.054
   50    H    ILE   7           H        ILE   7   7.161   6.649   2.808
   51    HA   ILE   7           HA       ILE   7   6.966   6.795  -0.068
   52    HB   ILE   7           HB       ILE   7   4.705   6.883   0.390
   53   1HG1  ILE   7          2HG1      ILE   7   4.408   9.009   1.424
   54   2HG1  ILE   7          1HG1      ILE   7   3.609   7.846   2.430
   55   1HG2  ILE   7          1HG2      ILE   7   5.796   4.948   1.725
   56   2HG2  ILE   7          2HG2      ILE   7   4.129   5.341   2.112
   57   3HG2  ILE   7          3HG2      ILE   7   5.423   5.879   3.164
   58   1HD1  ILE   7          1HD1      ILE   7   6.107   7.903   3.627
   59   2HD1  ILE   7          2HD1      ILE   7   4.820   8.945   4.122
   60   3HD1  ILE   7          3HD1      ILE   7   6.011   9.529   3.011
   61    HA   PRO   8           HA       PRO   8   7.692  11.246  -0.416
   62   1HB   PRO   8          2HB       PRO   8   5.248  12.245  -1.449
   63   2HB   PRO   8          1HB       PRO   8   6.601  11.683  -2.434
   64   1HG   PRO   8          2HG       PRO   8   4.124  10.197  -1.587
   65   2HG   PRO   8          1HG       PRO   8   4.989  10.111  -3.124
   66   1HD   PRO   8          2HD       PRO   8   5.196   8.161  -1.213
   67   2HD   PRO   8          1HD       PRO   8   6.605   8.593  -2.206
   68    H    LYS   9           H        LYS   9   7.677  12.348   1.361
   69    HA   LYS   9           HA       LYS   9   5.733  12.023   3.479
   70   1HB   LYS   9          2HB       LYS   9   8.377  12.964   3.340
   71   2HB   LYS   9          1HB       LYS   9   7.502  14.446   3.646
   72   1HG   LYS   9          2HG       LYS   9   6.655  13.650   5.742
   73   2HG   LYS   9          1HG       LYS   9   6.949  11.969   5.330
   74   1HD   LYS   9          2HD       LYS   9   9.160  12.025   6.004
   75   2HD   LYS   9          1HD       LYS   9   9.438  13.596   5.302
   76   1HE   LYS   9          2HE       LYS   9   9.709  13.903   7.663
   77   2HE   LYS   9          1HE       LYS   9   8.185  14.657   7.243
   78   1HZ   LYS   9          1HZ       LYS   9   7.692  11.948   7.844
   79   2HZ   LYS   9          2HZ       LYS   9   7.150  13.310   8.674
   80   3HZ   LYS   9          3HZ       LYS   9   8.629  12.600   9.109
   81    H    SER  10           H        SER  10   3.938  12.490   2.069
   82    HA   SER  10           HA       SER  10   3.035  15.275   2.384
   83   1HB   SER  10          2HB       SER  10   3.420  13.883  -0.316
   84   2HB   SER  10          1HB       SER  10   2.256  15.208  -0.131
   85    HG   SER  10           HG       SER  10   4.699  15.664   1.081
   86    H    ARG  11           H        ARG  11   1.179  13.504   0.135
   87    HA   ARG  11           HA       ARG  11  -0.669  12.665   2.256
   88   1HB   ARG  11          2HB       ARG  11  -2.434  13.289   0.648
   89   2HB   ARG  11          1HB       ARG  11  -1.453  14.666   1.090
   90   1HG   ARG  11          2HG       ARG  11  -0.204  13.445  -1.229
   91   2HG   ARG  11          1HG       ARG  11  -1.903  13.335  -1.533
   92   1HD   ARG  11          2HD       ARG  11  -0.357  15.476  -2.244
   93   2HD   ARG  11          1HD       ARG  11  -2.092  15.548  -2.043
   94    HE   ARG  11           HE       ARG  11  -0.271  16.265   0.252
   95   1HH1  ARG  11          2HH1      ARG  11  -0.573  18.416  -1.590
   96   2HH1  ARG  11          1HH1      ARG  11  -1.959  19.297  -1.075
   97   1HH2  ARG  11          1HH2      ARG  11  -3.024  16.455   0.813
   98   2HH2  ARG  11          2HH2      ARG  11  -3.488  18.078   0.430
   99    H    CYS  12           H        CYS  12   1.211  10.719   1.159
  100    HA   CYS  12           HA       CYS  12  -0.762   8.994  -0.226
  101   1HB   CYS  12          2HB       CYS  12   0.820   8.188  -1.620
  102   2HB   CYS  12          1HB       CYS  12   1.533   9.742  -1.438
  103    H    THR  13           H        THR  13  -1.186   7.142   0.859
  104    HA   THR  13           HA       THR  13   0.654   6.172   2.890
  105    HB   THR  13           HB       THR  13  -0.662   6.792   4.684
  106    HG1  THR  13          1HG       THR  13  -2.710   5.755   3.028
  107   1HG2  THR  13          1HG2      THR  13  -0.973   8.973   3.697
  108   2HG2  THR  13          2HG2      THR  13  -2.575   8.472   4.229
  109   3HG2  THR  13          3HG2      THR  13  -2.137   8.395   2.536
  110    H    ALA  14           H        ALA  14   0.264   3.925   3.414
  111    HA   ALA  14           HA       ALA  14  -0.959   2.568   1.192
  112   1HB   ALA  14          1HB       ALA  14   0.291   0.849   2.208
  113   2HB   ALA  14          2HB       ALA  14  -0.950   0.725   3.435
  114   3HB   ALA  14          3HB       ALA  14   0.444   1.758   3.703
  115    H    PHE  15           H        PHE  15  -2.165   4.196   3.870
  116    HA   PHE  15           HA       PHE  15  -4.607   2.709   4.289
  117   1HB   PHE  15          2HB       PHE  15  -4.309   5.532   5.161
  118   2HB   PHE  15          1HB       PHE  15  -4.863   4.126   6.044
  119    HD1  PHE  15          1HD       PHE  15  -2.722   2.218   5.967
  120    HD2  PHE  15          2HD       PHE  15  -2.442   6.442   6.252
  121    HE1  PHE  15          1HE       PHE  15  -0.514   2.001   6.924
  122    HE2  PHE  15          2HE       PHE  15  -0.246   6.270   7.215
  123    HZ   PHE  15           HZ       PHE  15   0.784   4.024   7.592
  124    H    GLN  16           H        GLN  16  -3.522   4.470   1.838
  125    HA   GLN  16           HA       GLN  16  -6.145   5.030   0.706
  126   1HB   GLN  16          2HB       GLN  16  -4.612   7.402   0.212
  127   2HB   GLN  16          1HB       GLN  16  -6.227   7.194   0.871
  128   1HG   GLN  16          2HG       GLN  16  -5.144   6.763   3.138
  129   2HG   GLN  16          1HG       GLN  16  -3.640   7.173   2.347
  130   1HE2  GLN  16          1HE2      GLN  16  -5.422   9.109   0.668
  131   2HE2  GLN  16          2HE2      GLN  16  -5.534  10.479   1.678
  132    H    CYS  17           H        CYS  17  -2.769   5.936   0.136
  133    HA   CYS  17           HA       CYS  17  -2.502   6.235  -2.511
  134   1HB   CYS  17          2HB       CYS  17  -0.457   5.564  -0.720
  135   2HB   CYS  17          1HB       CYS  17  -0.578   4.111  -1.588
  136    H    LYS  18           H        LYS  18  -2.707   3.260  -1.024
  137    HA   LYS  18           HA       LYS  18  -4.107   1.908  -3.073
  138   1HB   LYS  18          2HB       LYS  18  -1.578   2.210  -3.947
  139   2HB   LYS  18          1HB       LYS  18  -1.238   0.883  -2.873
  140   1HG   LYS  18          2HG       LYS  18  -1.760   0.036  -5.146
  141   2HG   LYS  18          1HG       LYS  18  -2.969  -0.495  -4.001
  142   1HD   LYS  18          2HD       LYS  18  -4.687   0.641  -5.057
  143   2HD   LYS  18          1HD       LYS  18  -3.794   2.140  -5.030
  144   1HE   LYS  18          2HE       LYS  18  -3.896   1.976  -7.180
  145   2HE   LYS  18          1HE       LYS  18  -2.389   1.100  -6.922
  146   1HZ   LYS  18          1HZ       LYS  18  -3.318  -0.754  -7.813
  147   2HZ   LYS  18          2HZ       LYS  18  -4.734   0.122  -8.132
  148   3HZ   LYS  18          3HZ       LYS  18  -4.575  -0.708  -6.676
  149    H    HIS  19           H        HIS  19  -5.200   1.588  -1.131
  150    HA   HIS  19           HA       HIS  19  -4.802   0.380   1.158
  151   1HB   HIS  19          2HB       HIS  19  -7.010  -0.024  -0.886
  152   2HB   HIS  19          1HB       HIS  19  -7.104  -0.797   0.680
  153    HD1  HIS  19          1HD       HIS  19  -6.936   0.780   2.756
  154    HD2  HIS  19          2HD       HIS  19  -7.577   2.660  -0.901
  155    HE1  HIS  19          1HE       HIS  19  -7.714   3.109   3.164
  156    H    SER  20           H        SER  20  -6.252  -2.152  -0.787
  157    HA   SER  20           HA       SER  20  -4.790  -4.142   0.615
  158   1HB   SER  20          2HB       SER  20  -6.234  -4.955  -1.898
  159   2HB   SER  20          1HB       SER  20  -6.517  -5.486  -0.241
  160    HG   SER  20           HG       SER  20  -8.150  -4.111  -0.310
  161    H    ALA  21           H        ALA  21  -2.918  -2.486  -0.807
  162    HA   ALA  21           HA       ALA  21  -1.501  -4.624  -2.282
  163   1HB   ALA  21          1HB       ALA  21  -1.559  -1.765  -3.185
  164   2HB   ALA  21          2HB       ALA  21  -2.706  -2.940  -3.857
  165   3HB   ALA  21          3HB       ALA  21  -0.957  -3.148  -4.073
  166    H    LYS  22           H        LYS  22  -1.548  -2.536   0.273
  167    HA   LYS  22           HA       LYS  22   0.986  -1.363   0.046
  168   1HB   LYS  22          2HB       LYS  22   1.036  -1.393   2.571
  169   2HB   LYS  22          1HB       LYS  22  -0.596  -1.057   2.038
  170   1HG   LYS  22          2HG       LYS  22  -1.283  -3.388   2.474
  171   2HG   LYS  22          1HG       LYS  22   0.356  -3.790   2.993
  172   1HD   LYS  22          2HD       LYS  22   0.060  -1.783   4.671
  173   2HD   LYS  22          1HD       LYS  22  -1.641  -1.917   4.296
  174   1HE   LYS  22          2HE       LYS  22  -0.959  -3.139   6.383
  175   2HE   LYS  22          1HE       LYS  22  -1.778  -4.155   5.212
  176   1HZ   LYS  22          1HZ       LYS  22   1.004  -4.274   4.679
  177   2HZ   LYS  22          2HZ       LYS  22  -0.024  -5.505   5.266
  178   3HZ   LYS  22          3HZ       LYS  22   0.768  -4.464   6.333
  179    H    TYR  23           H        TYR  23   0.197  -4.534   1.225
  180    HA   TYR  23           HA       TYR  23   2.862  -5.502   1.559
  181   1HB   TYR  23          2HB       TYR  23   1.705  -7.771   1.438
  182   2HB   TYR  23          1HB       TYR  23   1.066  -6.687   2.646
  183    HD1  TYR  23          1HD       TYR  23  -1.186  -5.572   2.261
  184    HD2  TYR  23          2HD       TYR  23   0.360  -8.428  -0.504
  185    HE1  TYR  23          1HE       TYR  23  -3.404  -5.874   1.334
  186    HE2  TYR  23          2HE       TYR  23  -1.885  -8.722  -1.426
  187    HH   TYR  23           HH       TYR  23  -4.155  -6.890  -1.376
  188    H    ARG  24           H        ARG  24   1.248  -4.763  -1.238
  189    HA   ARG  24           HA       ARG  24   2.766  -6.679  -2.854
  190   1HB   ARG  24          2HB       ARG  24   0.358  -4.972  -3.172
  191   2HB   ARG  24          1HB       ARG  24   1.304  -5.234  -4.608
  192   1HG   ARG  24          2HG       ARG  24   0.994  -7.635  -4.473
  193   2HG   ARG  24          1HG       ARG  24   0.541  -7.568  -2.789
  194   1HD   ARG  24          2HD       ARG  24  -1.326  -7.901  -4.609
  195   2HD   ARG  24          1HD       ARG  24  -1.631  -6.831  -3.244
  196    HE   ARG  24           HE       ARG  24  -1.356  -4.915  -4.693
  197   1HH1  ARG  24          2HH1      ARG  24  -3.043  -6.522  -6.377
  198   2HH1  ARG  24          1HH1      ARG  24  -2.252  -6.601  -7.903
  199   1HH2  ARG  24          1HH2      ARG  24   0.800  -5.535  -6.363
  200   2HH2  ARG  24          2HH2      ARG  24   0.146  -5.999  -7.885
  201    H    LEU  25           H        LEU  25   2.532  -3.152  -2.311
  202    HA   LEU  25           HA       LEU  25   4.805  -2.947  -4.201
  203   1HB   LEU  25          2HB       LEU  25   4.144  -0.361  -3.134
  204   2HB   LEU  25          1HB       LEU  25   4.063  -1.046  -4.720
  205    HG   LEU  25           HG       LEU  25   1.989  -0.156  -4.422
  206   1HD1  LEU  25          1HD1      LEU  25   0.603  -1.756  -5.052
  207   2HD1  LEU  25          2HD1      LEU  25   1.204  -2.937  -3.915
  208   3HD1  LEU  25          3HD1      LEU  25   2.151  -2.553  -5.334
  209   1HD2  LEU  25          1HD2      LEU  25   2.066  -1.442  -1.744
  210   2HD2  LEU  25          2HD2      LEU  25   0.590  -0.784  -2.445
  211   3HD2  LEU  25          3HD2      LEU  25   1.986   0.263  -2.148
  212    H    SER  26           H        SER  26   3.690  -1.777  -1.107
  213    HA   SER  26           HA       SER  26   5.803  -2.674   0.481
  214   1HB   SER  26          2HB       SER  26   6.773  -0.089   0.686
  215   2HB   SER  26          1HB       SER  26   7.441  -1.206  -0.517
  216    HG   SER  26           HG       SER  26   6.436  -0.113  -2.034
  217    H    PHE  27           H        PHE  27   4.440   0.321  -0.098
  218    HA   PHE  27           HA       PHE  27   2.352   0.262   1.926
  219   1HB   PHE  27          2HB       PHE  27   4.703   2.171   2.177
  220   2HB   PHE  27          1HB       PHE  27   3.178   2.360   2.985
  221    HD1  PHE  27          1HD       PHE  27   6.345   0.679   2.968
  222    HD2  PHE  27          2HD       PHE  27   2.424   0.477   4.613
  223    HE1  PHE  27          1HE       PHE  27   7.144  -0.879   4.670
  224    HE2  PHE  27          2HE       PHE  27   3.220  -1.085   6.313
  225    HZ   PHE  27           HZ       PHE  27   5.587  -1.780   6.352
  226    H    CYS  28           H        CYS  28   4.221   2.482  -0.063
  227    HA   CYS  28           HA       CYS  28   1.699   3.795  -0.993
  228   1HB   CYS  28          2HB       CYS  28   4.234   4.737   0.026
  229   2HB   CYS  28          1HB       CYS  28   3.880   5.566  -1.395
  230    H    ARG  29           H        ARG  29   1.630   4.352  -3.106
  231    HA   ARG  29           HA       ARG  29   3.668   3.766  -5.056
  232   1HB   ARG  29          2HB       ARG  29   2.735   1.574  -4.157
  233   2HB   ARG  29          1HB       ARG  29   1.381   1.795  -5.235
  234   1HG   ARG  29          2HG       ARG  29   4.182   2.224  -6.257
  235   2HG   ARG  29          1HG       ARG  29   3.770   0.580  -5.913
  236   1HD   ARG  29          2HD       ARG  29   2.191   2.396  -7.786
  237   2HD   ARG  29          1HD       ARG  29   3.371   1.169  -8.248
  238    HE   ARG  29           HE       ARG  29   1.234   0.209  -6.465
  239   1HH1  ARG  29          2HH1      ARG  29   0.110   1.255  -8.946
  240   2HH1  ARG  29          1HH1      ARG  29   0.003  -0.084 -10.038
  241   1HH2  ARG  29          1HH2      ARG  29   2.344  -1.805  -7.913
  242   2HH2  ARG  29          2HH2      ARG  29   1.395  -2.074  -9.323
  243    H    LYS  30           H        LYS  30   0.328   3.064  -5.888
  244    HA   LYS  30           HA       LYS  30   0.276   4.530  -8.258
  245   1HB   LYS  30          2HB       LYS  30  -1.294   2.810  -7.727
  246   2HB   LYS  30          1HB       LYS  30  -1.928   3.691  -6.352
  247   1HG   LYS  30          2HG       LYS  30  -2.057   5.096  -8.975
  248   2HG   LYS  30          1HG       LYS  30  -3.011   3.647  -8.930
  249   1HD   LYS  30          2HD       LYS  30  -4.681   4.760  -7.813
  250   2HD   LYS  30          1HD       LYS  30  -3.610   4.861  -6.442
  251   1HE   LYS  30          2HE       LYS  30  -4.615   7.086  -7.310
  252   2HE   LYS  30          1HE       LYS  30  -2.933   7.060  -6.873
  253   1HZ   LYS  30          1HZ       LYS  30  -3.909   7.841  -9.306
  254   2HZ   LYS  30          2HZ       LYS  30  -3.214   6.333  -9.605
  255   3HZ   LYS  30          3HZ       LYS  30  -2.286   7.524  -8.854
  256    H    THR  31           H        THR  31  -0.126   5.883  -5.166
  257    HA   THR  31           HA       THR  31  -0.942   8.572  -6.214
  258    HB   THR  31           HB       THR  31  -1.048   7.469  -3.474
  259    HG1  THR  31          1HG       THR  31  -2.411   6.039  -4.445
  260   1HG2  THR  31          1HG2      THR  31  -3.073   9.292  -4.911
  261   2HG2  THR  31          2HG2      THR  31  -1.671   9.974  -4.081
  262   3HG2  THR  31          3HG2      THR  31  -2.890   9.087  -3.173
  263    H    CYS  32           H        CYS  32   1.399   6.822  -5.333
  264    HA   CYS  32           HA       CYS  32   3.267   8.761  -4.122
  265   1HB   CYS  32          2HB       CYS  32   3.410   5.775  -4.243
  266   2HB   CYS  32          1HB       CYS  32   4.170   6.881  -3.146
  267    H    GLY  33           H        GLY  33   5.532   8.190  -4.837
  268   1HA   GLY  33          2HA       GLY  33   5.726   7.683  -7.782
  269   2HA   GLY  33          1HA       GLY  33   6.512   9.095  -7.050
  270    H    THR  34           H        THR  34   6.050   6.069  -5.503
  271    HA   THR  34           HA       THR  34   8.998   5.698  -5.292
  272    HB   THR  34           HB       THR  34   8.436   5.597  -3.074
  273    HG1  THR  34          1HG       THR  34   8.259   3.581  -2.496
  274   1HG2  THR  34          1HG2      THR  34   6.123   5.231  -2.225
  275   2HG2  THR  34          2HG2      THR  34   5.568   4.918  -3.855
  276   3HG2  THR  34          3HG2      THR  34   6.178   6.521  -3.413
  277   1HN   ABA  35           HN       ABA  35   6.586   3.144  -5.049
  278    HA   ABA  35           HA       ABA  35   8.226   1.484  -6.932
  279   1HB   ABA  35          1HB       ABA  35   6.388   0.508  -4.710
  280   2HB   ABA  35          2HB       ABA  35   8.072   0.912  -4.424
  281   1HG   ABA  35          1HG       ABA  35   6.876  -1.441  -5.818
  282   2HG   ABA  35          2HG       ABA  35   8.311  -1.374  -4.807
  283   3HG   ABA  35          3HG       ABA  35   8.384  -0.858  -6.492
  Start of MODEL    4
    1   1H    ARG   1          1H        ARG   1  -5.408   9.397   8.609
    2   2H    ARG   1          2H        ARG   1  -5.301   9.879   6.983
    3   3H    ARG   1          3H        ARG   1  -6.586  10.430   7.945
    4    HA   ARG   1           HA       ARG   1  -5.357  12.238   8.445
    5   1HB   ARG   1          2HB       ARG   1  -4.481  10.461  10.277
    6   2HB   ARG   1          1HB       ARG   1  -3.029  10.441   9.300
    7   1HG   ARG   1          2HG       ARG   1  -2.322  12.431  10.086
    8   2HG   ARG   1          1HG       ARG   1  -3.861  13.221   9.860
    9   1HD   ARG   1          2HD       ARG   1  -3.549  11.258  12.169
   10   2HD   ARG   1          1HD       ARG   1  -2.834  12.854  12.290
   11    HE   ARG   1           HE       ARG   1  -5.161  13.789  11.825
   12   1HH1  ARG   1          2HH1      ARG   1  -4.609  12.134  14.390
   13   2HH1  ARG   1          1HH1      ARG   1  -6.120  11.350  14.630
   14   1HH2  ARG   1          2HH2      ARG   1  -7.147  12.213  11.335
   15   2HH2  ARG   1          1HH2      ARG   1  -7.679  11.417  12.765
   16    H    SER   2           H        SER   2  -2.865  13.109   7.984
   17    HA   SER   2           HA       SER   2  -2.621  12.972   5.149
   18   1HB   SER   2          2HB       SER   2  -0.401  14.135   6.840
   19   2HB   SER   2          1HB       SER   2  -1.303  14.893   5.516
   20    HG   SER   2           HG       SER   2  -2.468  15.761   7.065
   21   1HN   ABA   3           HN       ABA   3   0.323  13.104   5.147
   22    HA   ABA   3           HA       ABA   3   0.789  10.315   4.601
   23   1HB   ABA   3          1HB       ABA   3   2.102  11.978   3.365
   24   2HB   ABA   3          2HB       ABA   3   3.216  11.040   4.322
   25   1HG   ABA   3          1HG       ABA   3   2.273  13.877   4.820
   26   2HG   ABA   3          2HG       ABA   3   3.903  13.272   4.712
   27   3HG   ABA   3          3HG       ABA   3   2.943  12.927   6.138
   28    H    ILE   4           H        ILE   4   2.645   9.168   5.542
   29    HA   ILE   4           HA       ILE   4   2.735   9.390   8.499
   30    HB   ILE   4           HB       ILE   4   1.584   7.407   8.183
   31   1HG1  ILE   4          2HG1      ILE   4   4.023   6.579   8.814
   32   2HG1  ILE   4          1HG1      ILE   4   2.677   5.511   8.587
   33   1HG2  ILE   4          1HG2      ILE   4   0.953   7.625   5.945
   34   2HG2  ILE   4          2HG2      ILE   4   1.571   5.986   6.056
   35   3HG2  ILE   4          3HG2      ILE   4   2.547   7.238   5.316
   36   1HD1  ILE   4          1HD1      ILE   4   3.538   4.490   6.738
   37   2HD1  ILE   4          2HD1      ILE   4   5.071   5.167   7.256
   38   3HD1  ILE   4          3HD1      ILE   4   4.128   5.975   6.021
   39    H    ASP   5           H        ASP   5   4.960   7.170   7.324
   40    HA   ASP   5           HA       ASP   5   6.959   9.196   6.628
   41   1HB   ASP   5          2HB       ASP   5   6.871   7.729   9.206
   42   2HB   ASP   5          1HB       ASP   5   8.381   7.431   8.358
   43    H    THR   6           H        THR   6   6.202   8.097   4.688
   44    HA   THR   6           HA       THR   6   7.733   5.582   4.182
   45    HB   THR   6           HB       THR   6   5.385   5.344   3.474
   46    HG1  THR   6          1HG       THR   6   6.646   4.708   1.809
   47   1HG2  THR   6          1HG2      THR   6   4.361   7.496   3.438
   48   2HG2  THR   6          2HG2      THR   6   4.518   7.159   1.734
   49   3HG2  THR   6          3HG2      THR   6   5.663   8.234   2.514
   50    H    ILE   7           H        ILE   7   7.317   7.160   1.319
   51    HA   ILE   7           HA       ILE   7   9.963   8.567   1.585
   52    HB   ILE   7           HB       ILE   7   8.698   6.903  -0.610
   53   1HG1  ILE   7          2HG1      ILE   7  11.607   7.104  -0.030
   54   2HG1  ILE   7          1HG1      ILE   7  10.590   6.469   1.248
   55   1HG2  ILE   7          1HG2      ILE   7   9.257   8.964  -1.897
   56   2HG2  ILE   7          2HG2      ILE   7  10.503   7.776  -2.207
   57   3HG2  ILE   7          3HG2      ILE   7  10.797   9.087  -1.074
   58   1HD1  ILE   7          1HD1      ILE   7  11.401   4.627  -0.228
   59   2HD1  ILE   7          2HD1      ILE   7  10.618   5.388  -1.607
   60   3HD1  ILE   7          3HD1      ILE   7   9.647   4.766  -0.275
   61    HA   PRO   8           HA       PRO   8   7.699  11.594  -0.913
   62   1HB   PRO   8          2HB       PRO   8   5.062  11.352  -1.840
   63   2HB   PRO   8          1HB       PRO   8   6.440  10.797  -2.795
   64   1HG   PRO   8          2HG       PRO   8   4.635   9.268  -0.943
   65   2HG   PRO   8          1HG       PRO   8   5.274   8.717  -2.488
   66   1HD   PRO   8          2HD       PRO   8   6.294   7.896  -0.078
   67   2HD   PRO   8          1HD       PRO   8   7.284   8.038  -1.543
   68    H    LYS   9           H        LYS   9   7.651  12.613   1.077
   69    HA   LYS   9           HA       LYS   9   5.463  12.207   2.982
   70   1HB   LYS   9          2HB       LYS   9   8.101  13.027   3.349
   71   2HB   LYS   9          1HB       LYS   9   7.297  14.587   3.351
   72   1HG   LYS   9          2HG       LYS   9   5.831  13.964   5.140
   73   2HG   LYS   9          1HG       LYS   9   6.271  12.267   5.052
   74   1HD   LYS   9          2HD       LYS   9   8.596  12.886   5.877
   75   2HD   LYS   9          1HD       LYS   9   8.069  14.554   6.004
   76   1HE   LYS   9          2HE       LYS   9   7.630  13.780   8.193
   77   2HE   LYS   9          1HE       LYS   9   6.057  13.580   7.450
   78   1HZ   LYS   9          1HZ       LYS   9   7.586  11.578   8.661
   79   2HZ   LYS   9          2HZ       LYS   9   7.697  11.239   7.071
   80   3HZ   LYS   9          3HZ       LYS   9   6.177  11.359   7.789
   81    H    SER  10           H        SER  10   4.075  12.671   1.207
   82    HA   SER  10           HA       SER  10   3.135  15.503   1.078
   83   1HB   SER  10          2HB       SER  10   2.816  13.249  -1.018
   84   2HB   SER  10          1HB       SER  10   2.222  14.904  -1.206
   85    HG   SER  10           HG       SER  10   4.274  15.437  -1.754
   86    H    ARG  11           H        ARG  11   1.148  13.067  -0.251
   87    HA   ARG  11           HA       ARG  11  -0.211  12.402   2.270
   88   1HB   ARG  11          2HB       ARG  11  -1.353  14.446   1.639
   89   2HB   ARG  11          1HB       ARG  11  -1.393  14.047  -0.047
   90   1HG   ARG  11          2HG       ARG  11  -2.696  11.996   1.694
   91   2HG   ARG  11          1HG       ARG  11  -3.408  13.566   1.931
   92   1HD   ARG  11          2HD       ARG  11  -4.071  11.703  -0.048
   93   2HD   ARG  11          1HD       ARG  11  -4.569  13.391  -0.071
   94    HE   ARG  11           HE       ARG  11  -1.967  12.551  -1.313
   95   1HH1  ARG  11          1HH2      ARG  11  -2.748  15.356  -1.625
   96   2HH1  ARG  11          2HH2      ARG  11  -3.592  15.441  -3.131
   97   1HH2  ARG  11          2HH1      ARG  11  -4.033  11.918  -3.037
   98   2HH2  ARG  11          1HH1      ARG  11  -4.395  13.295  -4.016
   99    H    CYS  12           H        CYS  12   0.873  10.504   1.700
  100    HA   CYS  12           HA       CYS  12  -0.761   8.812  -0.044
  101   1HB   CYS  12          2HB       CYS  12   0.890   8.185  -1.437
  102   2HB   CYS  12          1HB       CYS  12   1.545   9.737  -1.151
  103    H    THR  13           H        THR  13  -1.002   6.807   0.966
  104    HA   THR  13           HA       THR  13   0.840   5.887   2.955
  105    HB   THR  13           HB       THR  13  -0.414   6.372   4.822
  106    HG1  THR  13          1HG       THR  13  -2.930   6.537   4.188
  107   1HG2  THR  13          1HG2      THR  13  -1.762   8.271   2.869
  108   2HG2  THR  13          2HG2      THR  13  -0.569   8.694   4.053
  109   3HG2  THR  13          3HG2      THR  13  -2.199   8.308   4.559
  110    H    ALA  14           H        ALA  14   0.182   3.653   3.535
  111    HA   ALA  14           HA       ALA  14  -1.077   2.474   1.205
  112   1HB   ALA  14          1HB       ALA  14   0.566   1.544   3.446
  113   2HB   ALA  14          2HB       ALA  14   0.131   0.669   1.984
  114   3HB   ALA  14          3HB       ALA  14  -0.887   0.557   3.411
  115    H    PHE  15           H        PHE  15  -2.199   4.110   3.833
  116    HA   PHE  15           HA       PHE  15  -4.593   2.563   4.353
  117   1HB   PHE  15          2HB       PHE  15  -4.223   5.333   5.347
  118   2HB   PHE  15          1HB       PHE  15  -4.809   3.893   6.151
  119    HD1  PHE  15          1HD       PHE  15  -2.599   1.970   5.757
  120    HD2  PHE  15          2HD       PHE  15  -2.497   6.108   6.741
  121    HE1  PHE  15          1HE       PHE  15  -0.429   1.666   6.777
  122    HE2  PHE  15          2HE       PHE  15  -0.333   5.833   7.771
  123    HZ   PHE  15           HZ       PHE  15   0.752   3.592   7.817
  124    H    GLN  16           H        GLN  16  -3.439   4.442   1.967
  125    HA   GLN  16           HA       GLN  16  -6.123   5.118   1.017
  126   1HB   GLN  16          2HB       GLN  16  -4.671   7.439   0.371
  127   2HB   GLN  16          1HB       GLN  16  -6.087   7.235   1.384
  128   1HG   GLN  16          2HG       GLN  16  -4.735   6.851   3.331
  129   2HG   GLN  16          1HG       GLN  16  -3.271   6.888   2.316
  130   1HE2  GLN  16          1HE2      GLN  16  -6.074   8.690   3.312
  131   2HE2  GLN  16          2HE2      GLN  16  -5.434  10.253   3.044
  132    H    CYS  17           H        CYS  17  -2.773   5.899   0.275
  133    HA   CYS  17           HA       CYS  17  -2.635   6.267  -2.387
  134   1HB   CYS  17          2HB       CYS  17  -0.537   5.516  -0.623
  135   2HB   CYS  17          1HB       CYS  17  -0.720   4.098  -1.543
  136    H    LYS  18           H        LYS  18  -2.643   3.192  -0.911
  137    HA   LYS  18           HA       LYS  18  -4.310   2.057  -2.960
  138   1HB   LYS  18          2HB       LYS  18  -2.043   2.299  -4.074
  139   2HB   LYS  18          1HB       LYS  18  -1.392   1.196  -2.904
  140   1HG   LYS  18          2HG       LYS  18  -1.911  -0.087  -4.916
  141   2HG   LYS  18          1HG       LYS  18  -3.047  -0.542  -3.679
  142   1HD   LYS  18          2HD       LYS  18  -4.063   1.773  -5.218
  143   2HD   LYS  18          1HD       LYS  18  -3.674   0.453  -6.282
  144   1HE   LYS  18          2HE       LYS  18  -5.589  -0.635  -5.770
  145   2HE   LYS  18          1HE       LYS  18  -5.105  -0.761  -4.094
  146   1HZ   LYS  18          1HZ       LYS  18  -6.017   1.881  -4.532
  147   2HZ   LYS  18          2HZ       LYS  18  -6.685   0.664  -3.567
  148   3HZ   LYS  18          3HZ       LYS  18  -7.164   0.814  -5.167
  149    H    HIS  19           H        HIS  19  -5.285   1.659  -0.729
  150    HA   HIS  19           HA       HIS  19  -4.582   0.124   1.313
  151   1HB   HIS  19          2HB       HIS  19  -7.097  -0.192  -0.385
  152   2HB   HIS  19          1HB       HIS  19  -6.918  -0.810   1.241
  153    HD1  HIS  19          1HD       HIS  19  -6.995   0.887   3.149
  154    HD2  HIS  19          2HD       HIS  19  -7.271   2.595  -0.644
  155    HE1  HIS  19          1HE       HIS  19  -7.670   3.268   3.350
  156    H    SER  20           H        SER  20  -6.223  -1.801  -1.192
  157    HA   SER  20           HA       SER  20  -4.844  -4.156  -0.367
  158   1HB   SER  20          2HB       SER  20  -6.264  -4.369  -2.944
  159   2HB   SER  20          1HB       SER  20  -6.613  -5.133  -1.390
  160    HG   SER  20           HG       SER  20  -8.244  -3.759  -1.424
  161    H    ALA  21           H        ALA  21  -2.822  -3.248  -0.712
  162    HA   ALA  21           HA       ALA  21  -1.335  -4.502  -2.752
  163   1HB   ALA  21          1HB       ALA  21  -0.661  -2.721  -4.200
  164   2HB   ALA  21          2HB       ALA  21  -1.294  -1.503  -3.116
  165   3HB   ALA  21          3HB       ALA  21  -2.393  -2.490  -4.088
  166    H    LYS  22           H        LYS  22  -1.605  -2.567   0.017
  167    HA   LYS  22           HA       LYS  22   1.073  -1.663   0.119
  168   1HB   LYS  22          2HB       LYS  22   0.741  -1.454   2.530
  169   2HB   LYS  22          1HB       LYS  22  -0.813  -1.137   1.775
  170   1HG   LYS  22          2HG       LYS  22  -1.733  -3.210   2.432
  171   2HG   LYS  22          1HG       LYS  22  -0.144  -3.917   2.770
  172   1HD   LYS  22          2HD       LYS  22   0.210  -2.728   4.670
  173   2HD   LYS  22          1HD       LYS  22  -0.989  -1.488   4.307
  174   1HE   LYS  22          2HE       LYS  22  -2.826  -2.901   4.908
  175   2HE   LYS  22          1HE       LYS  22  -1.854  -4.360   4.798
  176   1HZ   LYS  22          1HZ       LYS  22  -0.645  -2.658   6.678
  177   2HZ   LYS  22          2HZ       LYS  22  -1.356  -4.168   6.929
  178   3HZ   LYS  22          3HZ       LYS  22  -2.287  -2.764   7.074
  179    H    TYR  23           H        TYR  23  -0.014  -4.837   0.241
  180    HA   TYR  23           HA       TYR  23   2.495  -5.882   1.449
  181   1HB   TYR  23          2HB       TYR  23   1.127  -8.124   0.968
  182   2HB   TYR  23          1HB       TYR  23   0.669  -7.075   2.296
  183    HD1  TYR  23          1HD       TYR  23  -0.352  -8.239  -1.076
  184    HD2  TYR  23          2HD       TYR  23  -1.289  -5.637   2.163
  185    HE1  TYR  23          1HE       TYR  23  -2.608  -7.891  -1.979
  186    HE2  TYR  23          2HE       TYR  23  -3.523  -5.301   1.260
  187    HH   TYR  23           HH       TYR  23  -4.923  -7.225  -0.904
  188    H    ARG  24           H        ARG  24   1.578  -4.821  -1.371
  189    HA   ARG  24           HA       ARG  24   3.118  -6.682  -3.027
  190   1HB   ARG  24          2HB       ARG  24   0.848  -4.831  -3.499
  191   2HB   ARG  24          1HB       ARG  24   1.933  -5.234  -4.823
  192   1HG   ARG  24          2HG       ARG  24   1.401  -7.542  -4.731
  193   2HG   ARG  24          1HG       ARG  24   0.848  -7.455  -3.080
  194   1HD   ARG  24          2HD       ARG  24  -0.825  -7.594  -5.197
  195   2HD   ARG  24          1HD       ARG  24  -1.241  -6.868  -3.646
  196    HE   ARG  24           HE       ARG  24  -1.113  -4.702  -4.607
  197   1HH1  ARG  24          2HH1      ARG  24  -2.263  -6.283  -6.883
  198   2HH1  ARG  24          1HH1      ARG  24  -1.370  -5.764  -8.252
  199   1HH2  ARG  24          1HH2      ARG  24   1.058  -4.273  -6.062
  200   2HH2  ARG  24          2HH2      ARG  24   0.710  -4.476  -7.734
  201    H    LEU  25           H        LEU  25   2.685  -3.150  -2.503
  202    HA   LEU  25           HA       LEU  25   5.173  -2.791  -4.044
  203   1HB   LEU  25          2HB       LEU  25   4.432  -0.291  -2.825
  204   2HB   LEU  25          1HB       LEU  25   4.345  -0.805  -4.474
  205    HG   LEU  25           HG       LEU  25   2.209   0.038  -3.980
  206   1HD1  LEU  25          1HD1      LEU  25   0.985  -1.478  -5.015
  207   2HD1  LEU  25          2HD1      LEU  25   1.425  -2.776  -3.924
  208   3HD1  LEU  25          3HD1      LEU  25   2.520  -2.313  -5.212
  209   1HD2  LEU  25          1HD2      LEU  25   0.856  -0.848  -2.176
  210   2HD2  LEU  25          2HD2      LEU  25   2.278   0.051  -1.678
  211   3HD2  LEU  25          3HD2      LEU  25   2.271  -1.702  -1.580
  212    H    SER  26           H        SER  26   3.936  -1.554  -1.016
  213    HA   SER  26           HA       SER  26   5.609  -2.882   0.825
  214   1HB   SER  26          2HB       SER  26   6.666  -0.103  -0.028
  215   2HB   SER  26          1HB       SER  26   7.089  -0.861   1.502
  216    HG   SER  26           HG       SER  26   7.470  -2.556  -0.620
  217    H    PHE  27           H        PHE  27   4.378   0.259  -0.010
  218    HA   PHE  27           HA       PHE  27   2.377   0.278   2.072
  219   1HB   PHE  27          2HB       PHE  27   4.856   2.014   2.302
  220   2HB   PHE  27          1HB       PHE  27   3.333   2.526   2.962
  221    HD1  PHE  27          1HD       PHE  27   6.318   0.963   3.757
  222    HD2  PHE  27          2HD       PHE  27   2.134   0.478   4.432
  223    HE1  PHE  27          1HE       PHE  27   6.792  -0.388   5.724
  224    HE2  PHE  27          2HE       PHE  27   2.613  -0.871   6.398
  225    HZ   PHE  27           HZ       PHE  27   4.949  -1.310   7.071
  226    H    CYS  28           H        CYS  28   4.302   2.578   0.199
  227    HA   CYS  28           HA       CYS  28   1.803   3.828  -0.828
  228   1HB   CYS  28          2HB       CYS  28   4.399   4.823   0.154
  229   2HB   CYS  28          1HB       CYS  28   3.885   5.605  -1.271
  230    H    ARG  29           H        ARG  29   1.820   4.510  -2.947
  231    HA   ARG  29           HA       ARG  29   3.729   4.027  -4.990
  232   1HB   ARG  29          2HB       ARG  29   3.062   1.688  -4.211
  233   2HB   ARG  29          1HB       ARG  29   1.572   1.882  -5.083
  234   1HG   ARG  29          2HG       ARG  29   3.296   2.645  -6.996
  235   2HG   ARG  29          1HG       ARG  29   4.463   1.816  -6.002
  236   1HD   ARG  29          2HD       ARG  29   3.702   0.190  -7.571
  237   2HD   ARG  29          1HD       ARG  29   2.830  -0.221  -6.099
  238    HE   ARG  29           HE       ARG  29   0.913   1.117  -6.966
  239   1HH1  ARG  29          1HH2      ARG  29   3.271   1.828  -9.021
  240   2HH1  ARG  29          2HH2      ARG  29   2.569   1.327 -10.503
  241   1HH2  ARG  29          2HH1      ARG  29  -0.038  -0.373  -8.693
  242   2HH2  ARG  29          1HH1      ARG  29   0.518  -0.071 -10.300
  243    H    LYS  30           H        LYS  30   0.390   3.090  -5.582
  244    HA   LYS  30           HA       LYS  30  -0.155   4.539  -7.812
  245   1HB   LYS  30          2HB       LYS  30  -1.887   3.715  -5.516
  246   2HB   LYS  30          1HB       LYS  30  -2.597   4.795  -6.672
  247   1HG   LYS  30          2HG       LYS  30  -1.346   2.855  -8.320
  248   2HG   LYS  30          1HG       LYS  30  -1.939   1.929  -6.960
  249   1HD   LYS  30          2HD       LYS  30  -3.898   1.889  -8.093
  250   2HD   LYS  30          1HD       LYS  30  -4.137   3.476  -7.400
  251   1HE   LYS  30          2HE       LYS  30  -2.690   4.115  -9.691
  252   2HE   LYS  30          1HE       LYS  30  -3.499   2.660 -10.239
  253   1HZ   LYS  30          1HZ       LYS  30  -5.365   4.330  -8.903
  254   2HZ   LYS  30          2HZ       LYS  30  -5.363   3.839 -10.528
  255   3HZ   LYS  30          3HZ       LYS  30  -4.519   5.228 -10.064
  256    H    THR  31           H        THR  31  -0.601   6.060  -4.721
  257    HA   THR  31           HA       THR  31  -1.225   8.725  -5.874
  258    HB   THR  31           HB       THR  31  -1.236   7.665  -3.080
  259    HG1  THR  31          1HG       THR  31  -3.715   7.856  -4.164
  260   1HG2  THR  31          1HG2      THR  31  -3.014   9.495  -2.747
  261   2HG2  THR  31          2HG2      THR  31  -2.775  10.006  -4.429
  262   3HG2  THR  31          3HG2      THR  31  -1.484  10.193  -3.249
  263    H    CYS  32           H        CYS  32   1.132   6.907  -4.906
  264    HA   CYS  32           HA       CYS  32   2.956   8.916  -3.774
  265   1HB   CYS  32          2HB       CYS  32   3.377   5.983  -4.048
  266   2HB   CYS  32          1HB       CYS  32   4.040   7.093  -2.901
  267    H    GLY  33           H        GLY  33   5.022   9.068  -4.317
  268   1HA   GLY  33          2HA       GLY  33   5.570   8.827  -7.245
  269   2HA   GLY  33          1HA       GLY  33   6.269  10.057  -6.197
  270    H    THR  34           H        THR  34   5.863   6.685  -5.636
  271    HA   THR  34           HA       THR  34   8.864   6.361  -5.460
  272    HB   THR  34           HB       THR  34   8.170   5.817  -3.274
  273    HG1  THR  34          1HG       THR  34   8.873   3.825  -3.407
  274   1HG2  THR  34          1HG2      THR  34   5.876   5.851  -2.973
  275   2HG2  THR  34          2HG2      THR  34   6.005   4.120  -3.169
  276   3HG2  THR  34          3HG2      THR  34   5.537   5.114  -4.527
  277   1HN   ABA  35           HN       ABA  35   6.382   3.862  -5.800
  278    HA   ABA  35           HA       ABA  35   7.648   3.041  -8.389
  279   1HB   ABA  35          1HB       ABA  35   7.308   0.696  -7.731
  280   2HB   ABA  35          2HB       ABA  35   6.479   1.187  -6.267
  281   1HG   ABA  35          1HG       ABA  35   9.187   0.634  -6.356
  282   2HG   ABA  35          2HG       ABA  35   8.434   1.667  -5.145
  283   3HG   ABA  35          3HG       ABA  35   9.195   2.378  -6.556
  Start of MODEL    5
    1   1H    ARG   1          1H        ARG   1  -5.302  10.018   8.081
    2   2H    ARG   1          2H        ARG   1  -6.293  11.369   8.342
    3   3H    ARG   1          3H        ARG   1  -4.625  11.577   8.217
    4    HA   ARG   1           HA       ARG   1  -5.479  10.300   5.833
    5   1HB   ARG   1          2HB       ARG   1  -7.749  11.367   6.409
    6   2HB   ARG   1          1HB       ARG   1  -6.927  12.901   6.623
    7   1HG   ARG   1          2HG       ARG   1  -6.633  13.294   4.377
    8   2HG   ARG   1          1HG       ARG   1  -6.642  11.612   3.912
    9   1HD   ARG   1          2HD       ARG   1  -9.190  12.651   5.184
   10   2HD   ARG   1          1HD       ARG   1  -8.791  13.285   3.602
   11    HE   ARG   1           HE       ARG   1  -8.715  10.320   3.958
   12   1HH1  ARG   1          2HH2      ARG   1  -8.625  11.395   1.264
   13   2HH1  ARG   1          1HH2      ARG   1 -10.267  11.434   0.722
   14   1HH2  ARG   1          2HH1      ARG   1 -11.435  11.087   4.067
   15   2HH2  ARG   1          1HH1      ARG   1 -11.989  11.199   2.443
   16    H    SER   2           H        SER   2  -3.210  10.802   7.106
   17    HA   SER   2           HA       SER   2  -2.087  13.013   5.586
   18   1HB   SER   2          2HB       SER   2  -1.029  12.596   8.391
   19   2HB   SER   2          1HB       SER   2  -1.410  14.123   7.584
   20    HG   SER   2           HG       SER   2  -3.135  14.030   8.780
   21   1HN   ABA   3           HN       ABA   3   0.507  12.712   5.992
   22    HA   ABA   3           HA       ABA   3   1.292  10.395   4.662
   23   1HB   ABA   3          1HB       ABA   3   2.916  12.152   4.753
   24   2HB   ABA   3          2HB       ABA   3   3.596  10.923   5.793
   25   1HG   ABA   3          1HG       ABA   3   2.440  13.551   6.602
   26   2HG   ABA   3          2HG       ABA   3   3.831  12.686   7.220
   27   3HG   ABA   3          3HG       ABA   3   2.226  12.193   7.708
   28    H    ILE   4           H        ILE   4   2.939   8.724   5.613
   29    HA   ILE   4           HA       ILE   4   1.765   7.579   8.093
   30    HB   ILE   4           HB       ILE   4   1.374   5.896   6.574
   31   1HG1  ILE   4          2HG1      ILE   4   3.641   5.129   7.886
   32   2HG1  ILE   4          1HG1      ILE   4   2.666   4.112   6.870
   33   1HG2  ILE   4          1HG2      ILE   4   2.562   5.612   4.337
   34   2HG2  ILE   4          2HG2      ILE   4   3.438   7.085   4.690
   35   3HG2  ILE   4          3HG2      ILE   4   1.697   7.120   4.589
   36   1HD1  ILE   4          1HD1      ILE   4   4.320   3.814   5.388
   37   2HD1  ILE   4          2HD1      ILE   4   5.392   4.624   6.509
   38   3HD1  ILE   4          3HD1      ILE   4   4.662   5.511   5.193
   39    H    ASP   5           H        ASP   5   4.706   6.729   6.570
   40    HA   ASP   5           HA       ASP   5   6.449   8.130   8.469
   41   1HB   ASP   5          2HB       ASP   5   6.011   6.109   9.717
   42   2HB   ASP   5          1HB       ASP   5   6.176   5.075   8.318
   43    H    THR   6           H        THR   6   7.307   5.295   6.617
   44    HA   THR   6           HA       THR   6   9.520   5.591   5.463
   45    HB   THR   6           HB       THR   6   7.160   4.894   3.629
   46    HG1  THR   6          1HG       THR   6   6.592   3.529   5.147
   47   1HG2  THR   6          1HG2      THR   6   8.893   3.792   2.506
   48   2HG2  THR   6          2HG2      THR   6   9.025   2.765   3.917
   49   3HG2  THR   6          3HG2      THR   6  10.046   4.184   3.770
   50    H    ILE   7           H        ILE   7   7.677   6.423   2.513
   51    HA   ILE   7           HA       ILE   7   9.204   8.984   2.439
   52    HB   ILE   7           HB       ILE   7   9.466   8.315  -0.128
   53   1HG1  ILE   7          2HG1      ILE   7   9.151   5.566   1.184
   54   2HG1  ILE   7          1HG1      ILE   7   8.013   6.267   0.047
   55   1HG2  ILE   7          1HG2      ILE   7  11.306   8.575   1.594
   56   2HG2  ILE   7          2HG2      ILE   7  11.664   7.336   0.407
   57   3HG2  ILE   7          3HG2      ILE   7  11.106   6.881   2.005
   58   1HD1  ILE   7          1HD1      ILE   7   9.422   4.768  -1.175
   59   2HD1  ILE   7          2HD1      ILE   7  10.888   5.438  -0.475
   60   3HD1  ILE   7          3HD1      ILE   7   9.949   6.389  -1.622
   61    HA   PRO   8           HA       PRO   8   4.923   9.684   0.790
   62   1HB   PRO   8          2HB       PRO   8   3.497  10.581   2.880
   63   2HB   PRO   8          1HB       PRO   8   3.671   8.846   2.580
   64   1HG   PRO   8          2HG       PRO   8   5.213  10.620   4.523
   65   2HG   PRO   8          1HG       PRO   8   4.608   8.989   4.815
   66   1HD   PRO   8          2HD       PRO   8   7.238   9.558   4.132
   67   2HD   PRO   8          1HD       PRO   8   6.429   8.008   3.847
   68    H    LYS   9           H        LYS   9   6.099  11.405  -0.232
   69    HA   LYS   9           HA       LYS   9   6.882  13.766   1.253
   70   1HB   LYS   9          2HB       LYS   9   7.819  12.892  -1.017
   71   2HB   LYS   9          1HB       LYS   9   6.391  13.617  -1.739
   72   1HG   LYS   9          2HG       LYS   9   7.365  15.603  -1.754
   73   2HG   LYS   9          1HG       LYS   9   7.431  15.594  -0.006
   74   1HD   LYS   9          2HD       LYS   9   9.628  14.510   0.011
   75   2HD   LYS   9          1HD       LYS   9   9.616  14.306  -1.727
   76   1HE   LYS   9          2HE       LYS   9   9.322  17.103  -0.539
   77   2HE   LYS   9          1HE       LYS   9  10.907  16.362  -0.568
   78   1HZ   LYS   9          1HZ       LYS   9   9.540  17.609  -2.689
   79   2HZ   LYS   9          2HZ       LYS   9   9.774  15.985  -3.103
   80   3HZ   LYS   9          3HZ       LYS   9  11.098  16.960  -2.690
   81    H    SER  10           H        SER  10   4.080  13.085   1.570
   82    HA   SER  10           HA       SER  10   2.841  15.618   1.695
   83   1HB   SER  10          2HB       SER  10   2.493  14.175  -0.948
   84   2HB   SER  10          1HB       SER  10   1.021  14.891  -0.282
   85    HG   SER  10           HG       SER  10   3.474  16.163  -0.808
   86    H    ARG  11           H        ARG  11   0.505  13.394   0.561
   87    HA   ARG  11           HA       ARG  11   0.032  12.297   3.249
   88   1HB   ARG  11          2HB       ARG  11  -2.420  12.709   2.626
   89   2HB   ARG  11          1HB       ARG  11  -1.496  14.092   3.188
   90   1HG   ARG  11          2HG       ARG  11  -1.073  14.409   0.529
   91   2HG   ARG  11          1HG       ARG  11  -2.450  13.342   0.416
   92   1HD   ARG  11          2HD       ARG  11  -3.400  15.583   0.399
   93   2HD   ARG  11          1HD       ARG  11  -3.644  15.039   2.056
   94    HE   ARG  11           HE       ARG  11  -1.360  16.217   2.488
   95   1HH1  ARG  11          2HH1      ARG  11  -1.054  17.350  -0.191
   96   2HH1  ARG  11          1HH1      ARG  11  -1.730  18.930  -0.110
   97   1HH2  ARG  11          1HH2      ARG  11  -3.389  18.129   2.917
   98   2HH2  ARG  11          2HH2      ARG  11  -3.134  19.405   1.798
   99    H    CYS  12           H        CYS  12   1.288  10.688   1.663
  100    HA   CYS  12           HA       CYS  12  -0.764   8.990   0.359
  101   1HB   CYS  12          2HB       CYS  12   0.796   8.176  -1.159
  102   2HB   CYS  12          1HB       CYS  12   1.513   9.716  -0.967
  103    H    THR  13           H        THR  13  -1.163   7.033   1.329
  104    HA   THR  13           HA       THR  13   0.760   5.847   3.149
  105    HB   THR  13           HB       THR  13  -0.503   6.226   5.074
  106    HG1  THR  13          1HG       THR  13  -3.038   6.310   4.407
  107   1HG2  THR  13          1HG2      THR  13  -0.726   8.559   4.405
  108   2HG2  THR  13          2HG2      THR  13  -2.345   8.099   4.875
  109   3HG2  THR  13          3HG2      THR  13  -1.899   8.163   3.190
  110    H    ALA  14           H        ALA  14  -0.011   3.588   3.691
  111    HA   ALA  14           HA       ALA  14  -1.124   2.499   1.226
  112   1HB   ALA  14          1HB       ALA  14   0.575   1.524   3.282
  113   2HB   ALA  14          2HB       ALA  14  -0.062   0.600   1.932
  114   3HB   ALA  14          3HB       ALA  14  -0.893   0.577   3.480
  115    H    PHE  15           H        PHE  15  -2.328   3.977   3.882
  116    HA   PHE  15           HA       PHE  15  -4.735   2.421   4.299
  117   1HB   PHE  15          2HB       PHE  15  -4.373   5.174   5.384
  118   2HB   PHE  15          1HB       PHE  15  -5.013   3.730   6.122
  119    HD1  PHE  15          1HD       PHE  15  -2.663   5.912   6.845
  120    HD2  PHE  15          2HD       PHE  15  -2.861   1.777   5.837
  121    HE1  PHE  15          1HE       PHE  15  -0.570   5.550   7.999
  122    HE2  PHE  15          2HE       PHE  15  -0.764   1.394   6.983
  123    HZ   PHE  15           HZ       PHE  15   0.421   3.279   8.097
  124    H    GLN  16           H        GLN  16  -3.464   4.389   2.026
  125    HA   GLN  16           HA       GLN  16  -6.088   5.129   0.987
  126   1HB   GLN  16          2HB       GLN  16  -4.407   7.477   0.592
  127   2HB   GLN  16          1HB       GLN  16  -5.987   7.328   1.330
  128   1HG   GLN  16          2HG       GLN  16  -4.864   6.551   3.425
  129   2HG   GLN  16          1HG       GLN  16  -3.330   6.863   2.597
  130   1HE2  GLN  16          1HE2      GLN  16  -6.353   8.330   3.657
  131   2HE2  GLN  16          2HE2      GLN  16  -5.713   9.926   3.758
  132    H    CYS  17           H        CYS  17  -2.678   5.863   0.260
  133    HA   CYS  17           HA       CYS  17  -2.543   6.321  -2.401
  134   1HB   CYS  17          2HB       CYS  17  -0.500   5.445  -0.672
  135   2HB   CYS  17          1HB       CYS  17  -0.708   4.029  -1.618
  136    H    LYS  18           H        LYS  18  -2.715   3.217  -1.030
  137    HA   LYS  18           HA       LYS  18  -4.484   2.225  -3.011
  138   1HB   LYS  18          2HB       LYS  18  -2.388   2.311  -4.340
  139   2HB   LYS  18          1HB       LYS  18  -1.563   1.331  -3.155
  140   1HG   LYS  18          2HG       LYS  18  -2.215  -0.081  -5.120
  141   2HG   LYS  18          1HG       LYS  18  -2.920  -0.601  -3.622
  142   1HD   LYS  18          2HD       LYS  18  -4.931  -0.655  -4.730
  143   2HD   LYS  18          1HD       LYS  18  -4.989   1.039  -4.424
  144   1HE   LYS  18          2HE       LYS  18  -5.286   1.248  -6.624
  145   2HE   LYS  18          1HE       LYS  18  -3.532   1.167  -6.691
  146   1HZ   LYS  18          1HZ       LYS  18  -3.703  -0.767  -7.821
  147   2HZ   LYS  18          2HZ       LYS  18  -5.384  -0.634  -7.775
  148   3HZ   LYS  18          3HZ       LYS  18  -4.580  -1.434  -6.518
  149    H    HIS  19           H        HIS  19  -5.496   1.695  -0.986
  150    HA   HIS  19           HA       HIS  19  -4.831   0.253   1.131
  151   1HB   HIS  19          2HB       HIS  19  -7.243  -0.052  -0.703
  152   2HB   HIS  19          1HB       HIS  19  -7.165  -0.794   0.889
  153    HD1  HIS  19          1HD       HIS  19  -7.196   0.774   2.904
  154    HD2  HIS  19          2HD       HIS  19  -7.387   2.747  -0.764
  155    HE1  HIS  19          1HE       HIS  19  -7.806   3.156   3.267
  156    H    SER  20           H        SER  20  -6.193  -1.893  -1.407
  157    HA   SER  20           HA       SER  20  -4.842  -4.128  -0.299
  158   1HB   SER  20          2HB       SER  20  -5.890  -4.523  -3.064
  159   2HB   SER  20          1HB       SER  20  -6.444  -5.252  -1.559
  160    HG   SER  20           HG       SER  20  -8.058  -3.889  -1.845
  161    H    ALA  21           H        ALA  21  -2.709  -2.446  -1.005
  162    HA   ALA  21           HA       ALA  21  -1.297  -4.406  -2.631
  163   1HB   ALA  21          1HB       ALA  21  -0.507  -2.810  -4.266
  164   2HB   ALA  21          2HB       ALA  21  -1.055  -1.455  -3.306
  165   3HB   ALA  21          3HB       ALA  21  -2.230  -2.477  -4.158
  166    H    LYS  22           H        LYS  22  -1.510  -2.645   0.055
  167    HA   LYS  22           HA       LYS  22   1.143  -1.612   0.206
  168   1HB   LYS  22          2HB       LYS  22   0.738  -1.516   2.628
  169   2HB   LYS  22          1HB       LYS  22  -0.811  -1.254   1.845
  170   1HG   LYS  22          2HG       LYS  22  -1.606  -3.423   2.344
  171   2HG   LYS  22          1HG       LYS  22  -0.015  -3.996   2.863
  172   1HD   LYS  22          2HD       LYS  22   0.041  -2.267   4.646
  173   2HD   LYS  22          1HD       LYS  22  -1.594  -1.775   4.244
  174   1HE   LYS  22          2HE       LYS  22  -0.718  -4.516   5.296
  175   2HE   LYS  22          1HE       LYS  22  -1.599  -3.287   6.188
  176   1HZ   LYS  22          1HZ       LYS  22  -2.978  -3.698   3.816
  177   2HZ   LYS  22          2HZ       LYS  22  -3.474  -4.115   5.380
  178   3HZ   LYS  22          3HZ       LYS  22  -2.633  -5.250   4.438
  179    H    TYR  23           H        TYR  23  -0.155  -4.743   0.419
  180    HA   TYR  23           HA       TYR  23   2.362  -5.963   1.357
  181   1HB   TYR  23          2HB       TYR  23   0.955  -8.087   1.061
  182   2HB   TYR  23          1HB       TYR  23   0.381  -6.932   2.231
  183    HD1  TYR  23          1HD       TYR  23  -0.339  -8.461  -1.052
  184    HD2  TYR  23          2HD       TYR  23  -1.667  -5.630   1.839
  185    HE1  TYR  23          1HE       TYR  23  -2.552  -8.418  -2.097
  186    HE2  TYR  23          2HE       TYR  23  -3.869  -5.597   0.790
  187    HH   TYR  23           HH       TYR  23  -4.903  -7.882  -1.433
  188    H    ARG  24           H        ARG  24   1.582  -4.629  -1.349
  189    HA   ARG  24           HA       ARG  24   2.931  -6.594  -3.082
  190   1HB   ARG  24          2HB       ARG  24   0.679  -4.669  -3.486
  191   2HB   ARG  24          1HB       ARG  24   1.738  -4.965  -4.844
  192   1HG   ARG  24          2HG       ARG  24   1.069  -7.218  -5.025
  193   2HG   ARG  24          1HG       ARG  24   0.936  -7.412  -3.299
  194   1HD   ARG  24          2HD       ARG  24  -1.227  -7.543  -4.728
  195   2HD   ARG  24          1HD       ARG  24  -1.247  -6.678  -3.196
  196    HE   ARG  24           HE       ARG  24  -1.371  -4.589  -4.377
  197   1HH1  ARG  24          2HH1      ARG  24  -3.317  -6.022  -5.897
  198   2HH1  ARG  24          1HH1      ARG  24  -2.853  -5.882  -7.551
  199   1HH2  ARG  24          1HH2      ARG  24   0.429  -4.936  -6.406
  200   2HH2  ARG  24          2HH2      ARG  24  -0.431  -5.099  -7.887
  201    H    LEU  25           H        LEU  25   2.687  -3.052  -2.551
  202    HA   LEU  25           HA       LEU  25   5.288  -2.827  -3.933
  203   1HB   LEU  25          2HB       LEU  25   4.650  -0.280  -2.840
  204   2HB   LEU  25          1HB       LEU  25   4.531  -0.818  -4.478
  205    HG   LEU  25           HG       LEU  25   2.484   0.221  -3.945
  206   1HD1  LEU  25          1HD1      LEU  25   2.565  -2.144  -5.219
  207   2HD1  LEU  25          2HD1      LEU  25   1.068  -1.260  -4.919
  208   3HD1  LEU  25          3HD1      LEU  25   1.533  -2.577  -3.889
  209   1HD2  LEU  25          1HD2      LEU  25   1.053  -0.567  -2.163
  210   2HD2  LEU  25          2HD2      LEU  25   2.562   0.170  -1.633
  211   3HD2  LEU  25          3HD2      LEU  25   2.362  -1.574  -1.589
  212    H    SER  26           H        SER  26   3.901  -1.619  -0.941
  213    HA   SER  26           HA       SER  26   5.541  -2.910   0.960
  214   1HB   SER  26          2HB       SER  26   6.501  -0.047   0.237
  215   2HB   SER  26          1HB       SER  26   6.882  -0.840   1.753
  216    HG   SER  26           HG       SER  26   7.448  -2.449  -0.386
  217    H    PHE  27           H        PHE  27   4.247   0.207   0.081
  218    HA   PHE  27           HA       PHE  27   2.098   0.063   2.014
  219   1HB   PHE  27          2HB       PHE  27   4.474   1.911   2.437
  220   2HB   PHE  27          1HB       PHE  27   2.887   2.389   2.965
  221    HD1  PHE  27          1HD       PHE  27   1.737   0.964   4.813
  222    HD2  PHE  27          2HD       PHE  27   5.750   0.267   3.570
  223    HE1  PHE  27          1HE       PHE  27   2.130  -0.361   6.810
  224    HE2  PHE  27          2HE       PHE  27   6.150  -1.059   5.566
  225    HZ   PHE  27           HZ       PHE  27   4.336  -1.388   7.220
  226    H    CYS  28           H        CYS  28   4.002   2.532   0.490
  227    HA   CYS  28           HA       CYS  28   1.697   3.768  -0.888
  228   1HB   CYS  28          2HB       CYS  28   4.251   4.673   0.345
  229   2HB   CYS  28          1HB       CYS  28   3.873   5.505  -1.082
  230    H    ARG  29           H        ARG  29   1.976   4.549  -2.984
  231    HA   ARG  29           HA       ARG  29   4.058   4.093  -4.823
  232   1HB   ARG  29          2HB       ARG  29   3.507   1.796  -4.343
  233   2HB   ARG  29          1HB       ARG  29   1.947   1.975  -5.135
  234   1HG   ARG  29          2HG       ARG  29   4.007   3.205  -6.791
  235   2HG   ARG  29          1HG       ARG  29   4.660   1.691  -6.249
  236   1HD   ARG  29          2HD       ARG  29   1.976   2.064  -7.633
  237   2HD   ARG  29          1HD       ARG  29   3.484   1.553  -8.404
  238    HE   ARG  29           HE       ARG  29   2.349   0.052  -6.070
  239   1HH1  ARG  29          2HH1      ARG  29   1.258  -0.700  -8.686
  240   2HH1  ARG  29          1HH1      ARG  29   2.267  -1.985  -9.243
  241   1HH2  ARG  29          1HH2      ARG  29   4.752  -1.015  -6.885
  242   2HH2  ARG  29          2HH2      ARG  29   4.448  -2.224  -8.080
  243    H    LYS  30           H        LYS  30   0.805   3.192  -5.776
  244    HA   LYS  30           HA       LYS  30   0.601   4.787  -8.002
  245   1HB   LYS  30          2HB       LYS  30  -1.322   3.327  -6.340
  246   2HB   LYS  30          1HB       LYS  30  -2.065   4.810  -6.879
  247   1HG   LYS  30          2HG       LYS  30  -0.762   2.720  -8.701
  248   2HG   LYS  30          1HG       LYS  30  -2.483   3.044  -8.581
  249   1HD   LYS  30          2HD       LYS  30  -1.542   5.578  -9.183
  250   2HD   LYS  30          1HD       LYS  30  -0.317   4.641  -9.984
  251   1HE   LYS  30          2HE       LYS  30  -3.295   4.179 -10.452
  252   2HE   LYS  30          1HE       LYS  30  -2.394   5.379 -11.354
  253   1HZ   LYS  30          1HZ       LYS  30  -2.570   2.648 -11.920
  254   2HZ   LYS  30          2HZ       LYS  30  -0.961   2.932 -11.438
  255   3HZ   LYS  30          3HZ       LYS  30  -1.641   3.810 -12.698
  256    H    THR  31           H        THR  31  -0.222   6.048  -4.845
  257    HA   THR  31           HA       THR  31  -0.785   8.778  -5.900
  258    HB   THR  31           HB       THR  31  -1.039   7.612  -3.175
  259    HG1  THR  31          1HG       THR  31  -3.442   7.949  -4.346
  260   1HG2  THR  31          1HG2      THR  31  -1.239  10.096  -3.188
  261   2HG2  THR  31          2HG2      THR  31  -2.851   9.442  -2.940
  262   3HG2  THR  31          3HG2      THR  31  -2.366  10.035  -4.539
  263    H    CYS  32           H        CYS  32   1.503   6.894  -4.799
  264    HA   CYS  32           HA       CYS  32   3.063   8.884  -3.293
  265   1HB   CYS  32          2HB       CYS  32   3.556   5.999  -3.790
  266   2HB   CYS  32          1HB       CYS  32   4.187   7.008  -2.525
  267    H    GLY  33           H        GLY  33   5.323   9.048  -3.548
  268   1HA   GLY  33          2HA       GLY  33   6.091   9.182  -6.449
  269   2HA   GLY  33          1HA       GLY  33   6.720  10.256  -5.192
  270    H    THR  34           H        THR  34   6.163   6.875  -5.057
  271    HA   THR  34           HA       THR  34   9.105   6.429  -4.559
  272    HB   THR  34           HB       THR  34   7.829   5.882  -2.566
  273    HG1  THR  34          1HG       THR  34   9.237   4.057  -3.869
  274   1HG2  THR  34          1HG2      THR  34   5.686   5.191  -4.224
  275   2HG2  THR  34          2HG2      THR  34   5.791   4.862  -2.511
  276   3HG2  THR  34          3HG2      THR  34   6.243   3.623  -3.645
  277   1HN   ABA  35           HN       ABA  35   6.732   3.957  -5.436
  278    HA   ABA  35           HA       ABA  35   8.351   3.353  -7.876
  279   1HB   ABA  35          1HB       ABA  35   8.064   0.980  -7.417
  280   2HB   ABA  35          2HB       ABA  35   6.954   1.298  -6.105
  281   1HG   ABA  35          1HG       ABA  35   9.578   0.790  -5.644
  282   2HG   ABA  35          2HG       ABA  35   8.653   1.873  -4.611
  283   3HG   ABA  35          3HG       ABA  35   9.700   2.525  -5.871
  Start of MODEL    6
    1   1H    ARG   1          1H        ARG   1  -2.119  16.013  10.700
    2   2H    ARG   1          2H        ARG   1  -0.658  15.624   9.943
    3   3H    ARG   1          3H        ARG   1  -1.597  14.402  10.652
    4    HA   ARG   1           HA       ARG   1  -2.634  14.085   8.694
    5   1HB   ARG   1          2HB       ARG   1  -3.344  17.071   8.895
    6   2HB   ARG   1          1HB       ARG   1  -4.132  15.898   7.863
    7   1HG   ARG   1          2HG       ARG   1  -4.496  14.543  10.169
    8   2HG   ARG   1          1HG       ARG   1  -4.217  16.095  10.914
    9   1HD   ARG   1          2HD       ARG   1  -6.654  15.375  10.480
   10   2HD   ARG   1          1HD       ARG   1  -6.205  17.022  10.087
   11    HE   ARG   1           HE       ARG   1  -6.163  14.970   7.907
   12   1HH1  ARG   1          2HH1      ARG   1  -5.858  17.788   7.280
   13   2HH1  ARG   1          1HH1      ARG   1  -7.440  18.341   6.871
   14   1HH2  ARG   1          2HH2      ARG   1  -8.896  15.484   8.404
   15   2HH2  ARG   1          1HH2      ARG   1  -9.307  16.918   7.552
   16    H    SER   2           H        SER   2  -0.923  13.549   7.494
   17    HA   SER   2           HA       SER   2  -0.264  14.855   5.151
   18   1HB   SER   2          2HB       SER   2   1.573  15.473   7.527
   19   2HB   SER   2          1HB       SER   2   2.364  15.151   5.983
   20    HG   SER   2           HG       SER   2   0.427  17.075   6.637
   21   1HN   ABA   3           HN       ABA   3   2.364  13.558   4.950
   22    HA   ABA   3           HA       ABA   3   1.438  10.843   4.573
   23   1HB   ABA   3          1HB       ABA   3   4.327  10.964   4.420
   24   2HB   ABA   3          2HB       ABA   3   3.705  12.462   3.768
   25   1HG   ABA   3          1HG       ABA   3   3.938  10.289   2.242
   26   2HG   ABA   3          2HG       ABA   3   2.609  11.396   2.014
   27   3HG   ABA   3          3HG       ABA   3   2.396   9.893   2.920
   28    H    ILE   4           H        ILE   4   3.418   9.089   5.324
   29    HA   ILE   4           HA       ILE   4   3.439   9.172   8.239
   30    HB   ILE   4           HB       ILE   4   3.588   6.734   7.945
   31   1HG1  ILE   4          2HG1      ILE   4   4.608   6.523   5.613
   32   2HG1  ILE   4          1HG1      ILE   4   3.260   5.484   5.920
   33   1HG2  ILE   4          1HG2      ILE   4   1.266   6.372   6.962
   34   2HG2  ILE   4          2HG2      ILE   4   1.233   8.120   6.722
   35   3HG2  ILE   4          3HG2      ILE   4   1.406   7.461   8.342
   36   1HD1  ILE   4          1HD1      ILE   4   2.662   6.260   3.878
   37   2HD1  ILE   4          2HD1      ILE   4   3.544   7.746   4.034
   38   3HD1  ILE   4          3HD1      ILE   4   1.952   7.595   4.758
   39    H    ASP   5           H        ASP   5   5.296   6.765   7.198
   40    HA   ASP   5           HA       ASP   5   7.818   8.261   7.424
   41   1HB   ASP   5          2HB       ASP   5   8.715   6.079   8.235
   42   2HB   ASP   5          1HB       ASP   5   7.326   6.549   9.203
   43    H    THR   6           H        THR   6   6.551   8.180   4.835
   44    HA   THR   6           HA       THR   6   8.090   6.138   3.351
   45    HB   THR   6           HB       THR   6   6.501   7.247   1.421
   46    HG1  THR   6          1HG       THR   6   5.514   8.923   2.325
   47   1HG2  THR   6          1HG2      THR   6   5.504   5.693   3.845
   48   2HG2  THR   6          2HG2      THR   6   5.846   5.064   2.243
   49   3HG2  THR   6          3HG2      THR   6   4.474   6.129   2.490
   50    H    ILE   7           H        ILE   7   8.166   7.735   0.934
   51    HA   ILE   7           HA       ILE   7  10.557   9.397   1.571
   52    HB   ILE   7           HB       ILE   7  10.192   9.048  -1.310
   53   1HG1  ILE   7          2HG1      ILE   7  10.100   6.454   0.294
   54   2HG1  ILE   7          1HG1      ILE   7   8.852   7.032  -0.798
   55   1HG2  ILE   7          1HG2      ILE   7  12.272   7.782   0.510
   56   2HG2  ILE   7          2HG2      ILE   7  12.318   9.462   0.007
   57   3HG2  ILE   7          3HG2      ILE   7  12.452   8.190  -1.190
   58   1HD1  ILE   7          1HD1      ILE   7  11.638   6.091  -1.547
   59   2HD1  ILE   7          2HD1      ILE   7  10.621   6.971  -2.673
   60   3HD1  ILE   7          3HD1      ILE   7  10.109   5.413  -2.057
   61    HA   PRO   8           HA       PRO   8   7.877  12.516  -0.666
   62   1HB   PRO   8          2HB       PRO   8   5.244  11.933  -1.327
   63   2HB   PRO   8          1HB       PRO   8   6.554  11.814  -2.507
   64   1HG   PRO   8          2HG       PRO   8   5.201   9.627  -0.942
   65   2HG   PRO   8          1HG       PRO   8   5.896   9.557  -2.556
   66   1HD   PRO   8          2HD       PRO   8   7.104   8.572  -0.262
   67   2HD   PRO   8          1HD       PRO   8   7.993   8.969  -1.750
   68    H    LYS   9           H        LYS   9   7.183  13.804   0.695
   69    HA   LYS   9           HA       LYS   9   5.818  12.836   3.145
   70   1HB   LYS   9          2HB       LYS   9   6.756  14.907   4.128
   71   2HB   LYS   9          1HB       LYS   9   8.002  13.905   3.406
   72   1HG   LYS   9          2HG       LYS   9   8.331  15.367   1.562
   73   2HG   LYS   9          1HG       LYS   9   6.766  16.129   1.762
   74   1HD   LYS   9          2HD       LYS   9   7.378  17.408   3.609
   75   2HD   LYS   9          1HD       LYS   9   8.731  16.395   4.050
   76   1HE   LYS   9          2HE       LYS   9   8.583  18.287   1.669
   77   2HE   LYS   9          1HE       LYS   9   9.572  18.476   3.110
   78   1HZ   LYS   9          1HZ       LYS   9  10.228  17.113   0.760
   79   2HZ   LYS   9          2HZ       LYS   9  10.103  15.939   1.999
   80   3HZ   LYS   9          3HZ       LYS   9  11.148  17.258   2.163
   81    H    SER  10           H        SER  10   4.297  12.936   0.986
   82    HA   SER  10           HA       SER  10   2.710  15.471   1.087
   83   1HB   SER  10          2HB       SER  10   2.567  13.203  -0.997
   84   2HB   SER  10          1HB       SER  10   1.838  14.813  -1.133
   85    HG   SER  10           HG       SER  10   3.744  15.483  -1.805
   86    H    ARG  11           H        ARG  11   0.896  12.837  -0.097
   87    HA   ARG  11           HA       ARG  11  -0.125  12.006   2.517
   88   1HB   ARG  11          2HB       ARG  11  -1.458  13.994   0.781
   89   2HB   ARG  11          1HB       ARG  11  -2.458  12.569   0.935
   90   1HG   ARG  11          2HG       ARG  11  -2.803  12.799   3.176
   91   2HG   ARG  11          1HG       ARG  11  -1.203  13.414   3.495
   92   1HD   ARG  11          2HD       ARG  11  -3.468  15.076   2.325
   93   2HD   ARG  11          1HD       ARG  11  -2.824  15.190   3.961
   94    HE   ARG  11           HE       ARG  11  -1.293  15.915   1.472
   95   1HH1  ARG  11          1HH2      ARG  11  -2.425  17.855   3.525
   96   2HH1  ARG  11          2HH2      ARG  11  -1.006  18.240   4.433
   97   1HH2  ARG  11          2HH1      ARG  11   0.827  15.563   3.083
   98   2HH2  ARG  11          1HH1      ARG  11   0.926  16.869   4.201
   99    H    CYS  12           H        CYS  12   1.153  10.342   1.577
  100    HA   CYS  12           HA       CYS  12  -0.418   8.577  -0.200
  101   1HB   CYS  12          2HB       CYS  12   1.360   8.234  -1.568
  102   2HB   CYS  12          1HB       CYS  12   1.949   9.725  -0.985
  103    H    THR  13           H        THR  13  -0.962   6.758   0.989
  104    HA   THR  13           HA       THR  13   0.970   5.682   2.866
  105    HB   THR  13           HB       THR  13  -0.318   6.053   4.771
  106    HG1  THR  13          1HG       THR  13  -2.788   6.425   4.205
  107   1HG2  THR  13          1HG2      THR  13  -1.508   8.178   2.917
  108   2HG2  THR  13          2HG2      THR  13  -0.205   8.382   4.051
  109   3HG2  THR  13          3HG2      THR  13  -1.852   8.140   4.631
  110    H    ALA  14           H        ALA  14   0.189   3.524   3.536
  111    HA   ALA  14           HA       ALA  14  -0.904   2.315   1.135
  112   1HB   ALA  14          1HB       ALA  14  -0.782   0.456   3.389
  113   2HB   ALA  14          2HB       ALA  14   0.648   1.472   3.443
  114   3HB   ALA  14          3HB       ALA  14   0.278   0.567   1.979
  115    H    PHE  15           H        PHE  15  -2.168   4.018   3.566
  116    HA   PHE  15           HA       PHE  15  -4.644   2.581   4.010
  117   1HB   PHE  15          2HB       PHE  15  -4.149   5.272   5.136
  118   2HB   PHE  15          1HB       PHE  15  -4.820   3.825   5.853
  119    HD1  PHE  15          1HD       PHE  15  -2.507   5.886   6.718
  120    HD2  PHE  15          2HD       PHE  15  -2.613   1.860   5.361
  121    HE1  PHE  15          1HE       PHE  15  -0.398   5.482   7.793
  122    HE2  PHE  15          2HE       PHE  15  -0.491   1.421   6.419
  123    HZ   PHE  15           HZ       PHE  15   0.672   3.237   7.684
  124    H    GLN  16           H        GLN  16  -3.237   4.447   1.760
  125    HA   GLN  16           HA       GLN  16  -5.813   5.363   0.722
  126   1HB   GLN  16          2HB       GLN  16  -3.858   7.478   0.245
  127   2HB   GLN  16          1HB       GLN  16  -5.503   7.582   0.827
  128   1HG   GLN  16          2HG       GLN  16  -4.680   6.957   3.125
  129   2HG   GLN  16          1HG       GLN  16  -3.069   6.990   2.421
  130   1HE2  GLN  16          1HE2      GLN  16  -4.262   9.226   0.624
  131   2HE2  GLN  16          2HE2      GLN  16  -4.123  10.628   1.578
  132    H    CYS  17           H        CYS  17  -2.420   5.827   0.124
  133    HA   CYS  17           HA       CYS  17  -2.298   5.994  -2.594
  134   1HB   CYS  17          2HB       CYS  17  -0.229   5.324  -0.696
  135   2HB   CYS  17          1HB       CYS  17  -0.350   3.914  -1.651
  136    H    LYS  18           H        LYS  18  -2.376   3.060  -0.814
  137    HA   LYS  18           HA       LYS  18  -3.908   1.886  -2.963
  138   1HB   LYS  18          2HB       LYS  18  -1.292   2.101  -3.551
  139   2HB   LYS  18          1HB       LYS  18  -1.162   0.612  -2.691
  140   1HG   LYS  18          2HG       LYS  18  -2.350   1.254  -5.382
  141   2HG   LYS  18          1HG       LYS  18  -1.493  -0.166  -4.871
  142   1HD   LYS  18          2HD       LYS  18  -3.517  -1.162  -5.101
  143   2HD   LYS  18          1HD       LYS  18  -3.761  -0.645  -3.465
  144   1HE   LYS  18          2HE       LYS  18  -5.548   0.626  -4.061
  145   2HE   LYS  18          1HE       LYS  18  -4.593   1.518  -5.236
  146   1HZ   LYS  18          1HZ       LYS  18  -5.654   0.428  -6.842
  147   2HZ   LYS  18          2HZ       LYS  18  -6.562  -0.425  -5.716
  148   3HZ   LYS  18          3HZ       LYS  18  -5.080  -1.054  -6.265
  149    H    HIS  19           H        HIS  19  -5.047   1.719  -0.845
  150    HA   HIS  19           HA       HIS  19  -4.740   0.255   1.320
  151   1HB   HIS  19          2HB       HIS  19  -7.026   0.129  -0.670
  152   2HB   HIS  19          1HB       HIS  19  -7.129  -0.530   0.950
  153    HD1  HIS  19          1HD       HIS  19  -7.186   1.143   2.882
  154    HD2  HIS  19          2HD       HIS  19  -7.014   2.871  -0.909
  155    HE1  HIS  19          1HE       HIS  19  -7.690   3.561   3.054
  156    H    SER  20           H        SER  20  -6.360  -1.765  -1.094
  157    HA   SER  20           HA       SER  20  -5.203  -4.133   0.010
  158   1HB   SER  20          2HB       SER  20  -6.582  -4.687  -2.479
  159   2HB   SER  20          1HB       SER  20  -7.174  -4.900  -0.832
  160    HG   SER  20           HG       SER  20  -8.517  -3.390  -1.596
  161    H    ALA  21           H        ALA  21  -3.114  -2.712  -0.806
  162    HA   ALA  21           HA       ALA  21  -1.561  -4.441  -2.529
  163   1HB   ALA  21          1HB       ALA  21  -0.973  -2.781  -4.118
  164   2HB   ALA  21          2HB       ALA  21  -1.782  -1.529  -3.183
  165   3HB   ALA  21          3HB       ALA  21  -2.730  -2.743  -4.063
  166    H    LYS  22           H        LYS  22  -1.948  -2.572   0.198
  167    HA   LYS  22           HA       LYS  22   0.603  -1.354   0.254
  168   1HB   LYS  22          2HB       LYS  22   0.459  -1.421   2.643
  169   2HB   LYS  22          1HB       LYS  22  -1.133  -1.047   1.982
  170   1HG   LYS  22          2HG       LYS  22  -2.013  -3.168   2.624
  171   2HG   LYS  22          1HG       LYS  22  -0.403  -3.854   2.894
  172   1HD   LYS  22          2HD       LYS  22   0.047  -2.511   4.765
  173   2HD   LYS  22          1HD       LYS  22  -1.249  -1.379   4.395
  174   1HE   LYS  22          2HE       LYS  22  -2.848  -3.403   4.844
  175   2HE   LYS  22          1HE       LYS  22  -1.466  -4.122   5.658
  176   1HZ   LYS  22          1HZ       LYS  22  -3.241  -2.195   6.621
  177   2HZ   LYS  22          2HZ       LYS  22  -1.735  -1.418   6.520
  178   3HZ   LYS  22          3HZ       LYS  22  -1.905  -2.830   7.433
  179    H    TYR  23           H        TYR  23  -0.214  -4.629   0.333
  180    HA   TYR  23           HA       TYR  23   2.455  -5.488   1.318
  181   1HB   TYR  23          2HB       TYR  23   1.354  -7.832   1.080
  182   2HB   TYR  23          1HB       TYR  23   0.664  -6.785   2.303
  183    HD1  TYR  23          1HD       TYR  23  -1.447  -5.436   1.702
  184    HD2  TYR  23          2HD       TYR  23   0.018  -8.596  -0.750
  185    HE1  TYR  23          1HE       TYR  23  -3.596  -5.549   0.576
  186    HE2  TYR  23          2HE       TYR  23  -2.153  -8.721  -1.872
  187    HH   TYR  23           HH       TYR  23  -4.840  -7.625  -0.820
  188    H    ARG  24           H        ARG  24   1.293  -4.481  -1.480
  189    HA   ARG  24           HA       ARG  24   2.749  -6.396  -3.169
  190   1HB   ARG  24          2HB       ARG  24   0.372  -4.820  -3.571
  191   2HB   ARG  24          1HB       ARG  24   1.570  -4.176  -4.662
  192   1HG   ARG  24          2HG       ARG  24   1.229  -5.873  -6.106
  193   2HG   ARG  24          1HG       ARG  24   1.877  -6.979  -4.929
  194   1HD   ARG  24          2HD       ARG  24  -0.419  -7.617  -5.580
  195   2HD   ARG  24          1HD       ARG  24  -0.246  -7.219  -3.865
  196    HE   ARG  24           HE       ARG  24  -0.997  -4.946  -5.574
  197   1HH1  ARG  24          1HH2      ARG  24  -1.671  -6.614  -2.775
  198   2HH1  ARG  24          2HH2      ARG  24  -3.374  -6.349  -2.783
  199   1HH2  ARG  24          2HH1      ARG  24  -3.423  -5.041  -6.021
  200   2HH2  ARG  24          1HH1      ARG  24  -4.330  -5.387  -4.585
  201    H    LEU  25           H        LEU  25   2.474  -2.911  -2.587
  202    HA   LEU  25           HA       LEU  25   5.027  -2.524  -4.018
  203   1HB   LEU  25          2HB       LEU  25   4.354  -0.095  -2.673
  204   2HB   LEU  25          1HB       LEU  25   4.213  -0.493  -4.349
  205    HG   LEU  25           HG       LEU  25   2.088   0.394  -3.605
  206   1HD1  LEU  25          1HD1      LEU  25   1.079  -2.335  -3.785
  207   2HD1  LEU  25          2HD1      LEU  25   2.329  -2.070  -4.972
  208   3HD1  LEU  25          3HD1      LEU  25   0.899  -1.038  -4.927
  209   1HD2  LEU  25          1HD2      LEU  25   2.216   0.062  -1.331
  210   2HD2  LEU  25          2HD2      LEU  25   2.170  -1.678  -1.457
  211   3HD2  LEU  25          3HD2      LEU  25   0.773  -0.734  -1.922
  212    H    SER  26           H        SER  26   3.881  -1.502  -0.880
  213    HA   SER  26           HA       SER  26   5.705  -2.869   0.811
  214   1HB   SER  26          2HB       SER  26   6.618   0.015   0.125
  215   2HB   SER  26          1HB       SER  26   7.111  -0.827   1.582
  216    HG   SER  26           HG       SER  26   7.535  -2.314  -0.701
  217    H    PHE  27           H        PHE  27   4.404   0.171   0.084
  218    HA   PHE  27           HA       PHE  27   2.354   0.222   2.063
  219   1HB   PHE  27          2HB       PHE  27   4.828   1.929   2.442
  220   2HB   PHE  27          1HB       PHE  27   3.274   2.435   3.035
  221    HD1  PHE  27          1HD       PHE  27   6.152   1.210   4.168
  222    HD2  PHE  27          2HD       PHE  27   2.060   0.027   4.202
  223    HE1  PHE  27          1HE       PHE  27   6.564  -0.157   6.133
  224    HE2  PHE  27          2HE       PHE  27   2.466  -1.334   6.165
  225    HZ   PHE  27           HZ       PHE  27   4.725  -1.437   7.170
  226    H    CYS  28           H        CYS  28   4.460   2.296   0.098
  227    HA   CYS  28           HA       CYS  28   2.072   3.725  -0.944
  228   1HB   CYS  28          2HB       CYS  28   4.703   4.626   0.002
  229   2HB   CYS  28          1HB       CYS  28   4.220   5.449  -1.387
  230    H    ARG  29           H        ARG  29   1.851   4.225  -2.901
  231    HA   ARG  29           HA       ARG  29   3.684   3.987  -5.116
  232   1HB   ARG  29          2HB       ARG  29   3.238   1.626  -4.600
  233   2HB   ARG  29          1HB       ARG  29   1.595   1.813  -5.228
  234   1HG   ARG  29          2HG       ARG  29   3.348   3.133  -7.095
  235   2HG   ARG  29          1HG       ARG  29   4.258   1.752  -6.568
  236   1HD   ARG  29          2HD       ARG  29   1.410   1.612  -7.635
  237   2HD   ARG  29          1HD       ARG  29   2.875   1.412  -8.609
  238    HE   ARG  29           HE       ARG  29   2.391  -0.257  -6.168
  239   1HH1  ARG  29          2HH1      ARG  29   4.640  -0.004  -8.303
  240   2HH1  ARG  29          1HH1      ARG  29   4.575  -1.490  -9.142
  241   1HH2  ARG  29          1HH2      ARG  29   1.299  -2.098  -7.687
  242   2HH2  ARG  29          2HH2      ARG  29   2.458  -2.793  -8.756
  243    H    LYS  30           H        LYS  30   0.274   3.105  -5.593
  244    HA   LYS  30           HA       LYS  30  -0.178   4.655  -7.842
  245   1HB   LYS  30          2HB       LYS  30  -1.936   3.469  -5.756
  246   2HB   LYS  30          1HB       LYS  30  -2.703   4.726  -6.683
  247   1HG   LYS  30          2HG       LYS  30  -1.164   2.493  -8.079
  248   2HG   LYS  30          1HG       LYS  30  -2.837   2.274  -7.606
  249   1HD   LYS  30          2HD       LYS  30  -3.547   4.190  -8.976
  250   2HD   LYS  30          1HD       LYS  30  -1.902   4.640  -9.334
  251   1HE   LYS  30          2HE       LYS  30  -3.061   1.912 -10.111
  252   2HE   LYS  30          1HE       LYS  30  -3.205   3.319 -11.149
  253   1HZ   LYS  30          1HZ       LYS  30  -0.520   3.179 -10.397
  254   2HZ   LYS  30          2HZ       LYS  30  -1.189   2.884 -11.923
  255   3HZ   LYS  30          3HZ       LYS  30  -0.982   1.595 -10.844
  256    H    THR  31           H        THR  31  -0.112   6.016  -4.784
  257    HA   THR  31           HA       THR  31  -0.973   8.728  -5.707
  258    HB   THR  31           HB       THR  31  -0.975   7.330  -3.049
  259    HG1  THR  31          1HG       THR  31  -2.541   7.100  -5.080
  260   1HG2  THR  31          1HG2      THR  31  -2.310   9.196  -2.201
  261   2HG2  THR  31          2HG2      THR  31  -2.499   9.880  -3.813
  262   3HG2  THR  31          3HG2      THR  31  -0.940   9.965  -2.992
  263    H    CYS  32           H        CYS  32   1.437   6.784  -4.865
  264    HA   CYS  32           HA       CYS  32   3.297   8.790  -3.783
  265   1HB   CYS  32          2HB       CYS  32   3.713   5.853  -4.032
  266   2HB   CYS  32          1HB       CYS  32   4.380   6.983  -2.901
  267    H    GLY  33           H        GLY  33   5.478   8.699  -4.407
  268   1HA   GLY  33          2HA       GLY  33   5.793   8.388  -7.385
  269   2HA   GLY  33          1HA       GLY  33   6.643   9.613  -6.417
  270    H    THR  34           H        THR  34   5.953   6.243  -5.562
  271    HA   THR  34           HA       THR  34   8.827   5.813  -5.129
  272    HB   THR  34           HB       THR  34   7.742   3.706  -3.987
  273    HG1  THR  34          1HG       THR  34   5.543   3.791  -3.895
  274   1HG2  THR  34          1HG2      THR  34   6.244   5.778  -2.632
  275   2HG2  THR  34          2HG2      THR  34   7.786   6.470  -3.127
  276   3HG2  THR  34          3HG2      THR  34   7.752   5.024  -2.118
  277   1HN   ABA  35           HN       ABA  35   6.394   3.596  -5.979
  278    HA   ABA  35           HA       ABA  35   7.890   2.694  -8.423
  279   1HB   ABA  35          1HB       ABA  35   7.444   0.365  -7.792
  280   2HB   ABA  35          2HB       ABA  35   6.489   0.869  -6.411
  281   1HG   ABA  35          1HG       ABA  35   9.331   1.880  -6.561
  282   2HG   ABA  35          2HG       ABA  35   9.091   0.197  -6.130
  283   3HG   ABA  35          3HG       ABA  35   8.376   1.463  -5.142
  Start of MODEL    7
    1   1H    ARG   1          1H        ARG   1  -4.838  14.578   8.879
    2   2H    ARG   1          2H        ARG   1  -3.385  13.940   8.285
    3   3H    ARG   1          3H        ARG   1  -4.540  12.909   8.993
    4    HA   ARG   1           HA       ARG   1  -5.342  12.534   6.915
    5   1HB   ARG   1          2HB       ARG   1  -6.145  15.426   7.504
    6   2HB   ARG   1          1HB       ARG   1  -6.008  15.070   5.809
    7   1HG   ARG   1          2HG       ARG   1  -8.174  14.487   6.035
    8   2HG   ARG   1          1HG       ARG   1  -7.489  12.929   6.409
    9   1HD   ARG   1          2HD       ARG   1  -7.563  14.177   8.946
   10   2HD   ARG   1          1HD       ARG   1  -8.951  14.869   8.132
   11    HE   ARG   1           HE       ARG   1  -8.531  11.892   8.403
   12   1HH1  ARG   1          2HH2      ARG   1 -10.508  12.627   6.491
   13   2HH1  ARG   1          1HH2      ARG   1 -11.994  12.722   7.359
   14   1HH2  ARG   1          2HH1      ARG   1 -10.171  12.958  10.422
   15   2HH2  ARG   1          1HH1      ARG   1 -11.785  12.934   9.813
   16    H    SER   2           H        SER   2  -2.936  12.126   6.846
   17    HA   SER   2           HA       SER   2  -1.875  13.464   4.523
   18   1HB   SER   2          2HB       SER   2   0.255  13.998   6.288
   19   2HB   SER   2          1HB       SER   2  -0.982  15.186   5.859
   20    HG   SER   2           HG       SER   2  -0.567  13.875   8.167
   21   1HN   ABA   3           HN       ABA   3   0.692  12.812   4.647
   22    HA   ABA   3           HA       ABA   3   0.691   9.907   4.403
   23   1HB   ABA   3          1HB       ABA   3   1.970  11.226   2.731
   24   2HB   ABA   3          2HB       ABA   3   3.080  10.293   3.703
   25   1HG   ABA   3          1HG       ABA   3   4.164  12.201   4.280
   26   2HG   ABA   3          2HG       ABA   3   2.754  12.788   5.113
   27   3HG   ABA   3          3HG       ABA   3   2.994  13.205   3.438
   28    H    ILE   4           H        ILE   4   2.254   8.594   5.767
   29    HA   ILE   4           HA       ILE   4   2.754   9.899   8.353
   30    HB   ILE   4           HB       ILE   4   2.860   7.529   9.062
   31   1HG1  ILE   4          2HG1      ILE   4   3.371   6.377   6.810
   32   2HG1  ILE   4          1HG1      ILE   4   2.154   5.622   7.793
   33   1HG2  ILE   4          1HG2      ILE   4   0.887   8.787   9.406
   34   2HG2  ILE   4          2HG2      ILE   4   0.403   7.150   8.969
   35   3HG2  ILE   4          3HG2      ILE   4   0.297   8.453   7.784
   36   1HD1  ILE   4          1HD1      ILE   4   2.003   6.677   5.110
   37   2HD1  ILE   4          2HD1      ILE   4   0.732   7.398   6.092
   38   3HD1  ILE   4          3HD1      ILE   4   0.881   5.645   5.964
   39    H    ASP   5           H        ASP   5   4.390   7.124   8.093
   40    HA   ASP   5           HA       ASP   5   6.912   8.492   7.534
   41   1HB   ASP   5          2HB       ASP   5   6.423   5.641   8.476
   42   2HB   ASP   5          1HB       ASP   5   7.911   6.566   8.631
   43    H    THR   6           H        THR   6   5.006   7.805   5.265
   44    HA   THR   6           HA       THR   6   6.465   5.672   3.878
   45    HB   THR   6           HB       THR   6   4.676   6.985   2.015
   46    HG1  THR   6          1HG       THR   6   3.119   7.837   3.167
   47   1HG2  THR   6          1HG2      THR   6   4.078   4.906   4.187
   48   2HG2  THR   6          2HG2      THR   6   4.517   4.553   2.519
   49   3HG2  THR   6          3HG2      THR   6   2.962   5.279   2.881
   50    H    ILE   7           H        ILE   7   7.753   6.352   1.905
   51    HA   ILE   7           HA       ILE   7   9.527   8.473   2.592
   52    HB   ILE   7           HB       ILE   7   9.531   7.891  -0.341
   53   1HG1  ILE   7          2HG1      ILE   7   9.691   5.652   1.718
   54   2HG1  ILE   7          1HG1      ILE   7   8.625   5.739   0.327
   55   1HG2  ILE   7          1HG2      ILE   7  11.705   7.251   1.682
   56   2HG2  ILE   7          2HG2      ILE   7  11.396   8.909   1.191
   57   3HG2  ILE   7          3HG2      ILE   7  11.874   7.717   0.002
   58   1HD1  ILE   7          1HD1      ILE   7  10.363   4.202  -0.304
   59   2HD1  ILE   7          2HD1      ILE   7  11.624   5.240   0.322
   60   3HD1  ILE   7          3HD1      ILE   7  10.774   5.693  -1.143
   61    HA   PRO   8           HA       PRO   8   7.771  11.315  -0.667
   62   1HB   PRO   8          2HB       PRO   8   5.199  11.126  -1.587
   63   2HB   PRO   8          1HB       PRO   8   6.519  10.180  -2.302
   64   1HG   PRO   8          2HG       PRO   8   4.567   9.401  -0.099
   65   2HG   PRO   8          1HG       PRO   8   4.927   8.427  -1.510
   66   1HD   PRO   8          2HD       PRO   8   6.076   7.990   0.890
   67   2HD   PRO   8          1HD       PRO   8   7.029   7.727  -0.583
   68    H    LYS   9           H        LYS   9   7.656  13.010   0.857
   69    HA   LYS   9           HA       LYS   9   5.672  12.837   2.972
   70   1HB   LYS   9          2HB       LYS   9   8.125  13.917   2.969
   71   2HB   LYS   9          1HB       LYS   9   7.276  15.360   2.451
   72   1HG   LYS   9          2HG       LYS   9   6.140  15.598   4.472
   73   2HG   LYS   9          1HG       LYS   9   6.068  13.871   4.773
   74   1HD   LYS   9          2HD       LYS   9   8.608  13.934   5.199
   75   2HD   LYS   9          1HD       LYS   9   8.488  15.677   5.259
   76   1HE   LYS   9          2HE       LYS   9   6.708  13.853   6.975
   77   2HE   LYS   9          1HE       LYS   9   8.307  14.317   7.513
   78   1HZ   LYS   9          1HZ       LYS   9   5.925  15.778   7.703
   79   2HZ   LYS   9          2HZ       LYS   9   6.973  16.660   6.693
   80   3HZ   LYS   9          3HZ       LYS   9   7.462  16.232   8.259
   81    H    SER  10           H        SER  10   3.860  12.755   1.478
   82    HA   SER  10           HA       SER  10   2.689  15.465   1.060
   83   1HB   SER  10          2HB       SER  10   3.027  13.368  -1.136
   84   2HB   SER  10          1HB       SER  10   1.935  14.758  -1.277
   85    HG   SER  10           HG       SER  10   4.368  15.508  -0.275
   86    H    ARG  11           H        ARG  11   1.114  12.831  -0.472
   87    HA   ARG  11           HA       ARG  11  -0.472  12.274   1.933
   88   1HB   ARG  11          2HB       ARG  11  -1.406  14.155   0.069
   89   2HB   ARG  11          1HB       ARG  11  -2.185  12.706  -0.484
   90   1HG   ARG  11          2HG       ARG  11  -3.670  12.860   1.165
   91   2HG   ARG  11          1HG       ARG  11  -2.422  12.498   2.308
   92   1HD   ARG  11          2HD       ARG  11  -3.611  15.158   1.654
   93   2HD   ARG  11          1HD       ARG  11  -3.118  14.544   3.216
   94    HE   ARG  11           HE       ARG  11  -0.664  14.894   2.249
   95   1HH1  ARG  11          1HH2      ARG  11  -2.196  17.155   3.442
   96   2HH1  ARG  11          2HH2      ARG  11  -1.978  18.449   2.324
   97   1HH2  ARG  11          2HH1      ARG  11  -0.924  16.103  -0.174
   98   2HH2  ARG  11          1HH1      ARG  11  -1.172  17.783   0.077
   99    H    CYS  12           H        CYS  12   0.958  10.488   1.446
  100    HA   CYS  12           HA       CYS  12  -0.484   8.457  -0.119
  101   1HB   CYS  12          2HB       CYS  12   1.321   8.032  -1.405
  102   2HB   CYS  12          1HB       CYS  12   1.997   9.492  -0.868
  103    H    THR  13           H        THR  13  -1.091   6.859   1.225
  104    HA   THR  13           HA       THR  13   0.623   5.909   3.366
  105    HB   THR  13           HB       THR  13  -0.880   6.535   5.081
  106    HG1  THR  13          1HG       THR  13  -3.261   6.689   4.177
  107   1HG2  THR  13          1HG2      THR  13  -0.777   8.731   3.850
  108   2HG2  THR  13          2HG2      THR  13  -2.316   8.507   4.646
  109   3HG2  THR  13          3HG2      THR  13  -2.160   8.260   2.914
  110    H    ALA  14           H        ALA  14  -0.151   3.595   3.823
  111    HA   ALA  14           HA       ALA  14  -1.312   2.600   1.335
  112   1HB   ALA  14          1HB       ALA  14   0.075   1.404   3.717
  113   2HB   ALA  14          2HB       ALA  14  -0.007   0.803   2.067
  114   3HB   ALA  14          3HB       ALA  14  -1.295   0.441   3.199
  115    H    PHE  15           H        PHE  15  -2.630   4.295   3.680
  116    HA   PHE  15           HA       PHE  15  -5.030   2.734   4.187
  117   1HB   PHE  15          2HB       PHE  15  -4.640   5.483   5.237
  118   2HB   PHE  15          1HB       PHE  15  -5.285   4.037   5.973
  119    HD1  PHE  15          1HD       PHE  15  -2.963   6.199   6.732
  120    HD2  PHE  15          2HD       PHE  15  -3.108   2.080   5.655
  121    HE1  PHE  15          1HE       PHE  15  -0.849   5.842   7.841
  122    HE2  PHE  15          2HE       PHE  15  -0.997   1.698   6.757
  123    HZ   PHE  15           HZ       PHE  15   0.180   3.584   7.897
  124    H    GLN  16           H        GLN  16  -3.703   4.608   1.881
  125    HA   GLN  16           HA       GLN  16  -6.323   5.337   0.820
  126   1HB   GLN  16          2HB       GLN  16  -4.680   7.633   0.376
  127   2HB   GLN  16          1HB       GLN  16  -6.278   7.519   1.118
  128   1HG   GLN  16          2HG       GLN  16  -5.209   7.001   3.297
  129   2HG   GLN  16          1HG       GLN  16  -3.656   7.068   2.450
  130   1HE2  GLN  16          1HE2      GLN  16  -5.263   9.320   0.885
  131   2HE2  GLN  16          2HE2      GLN  16  -4.966  10.704   1.832
  132    H    CYS  17           H        CYS  17  -2.918   6.092   0.315
  133    HA   CYS  17           HA       CYS  17  -2.736   6.452  -2.347
  134   1HB   CYS  17          2HB       CYS  17  -0.812   5.619  -0.354
  135   2HB   CYS  17          1HB       CYS  17  -0.691   4.436  -1.591
  136    H    LYS  18           H        LYS  18  -2.612   3.386  -0.853
  137    HA   LYS  18           HA       LYS  18  -4.249   2.212  -2.949
  138   1HB   LYS  18          2HB       LYS  18  -2.036   2.491  -4.091
  139   2HB   LYS  18          1HB       LYS  18  -1.275   1.484  -2.893
  140   1HG   LYS  18          2HG       LYS  18  -1.713   0.080  -4.841
  141   2HG   LYS  18          1HG       LYS  18  -2.803  -0.354  -3.543
  142   1HD   LYS  18          2HD       LYS  18  -4.236   1.625  -4.994
  143   2HD   LYS  18          1HD       LYS  18  -3.500   0.595  -6.203
  144   1HE   LYS  18          2HE       LYS  18  -4.403  -1.403  -4.637
  145   2HE   LYS  18          1HE       LYS  18  -5.464  -0.171  -3.989
  146   1HZ   LYS  18          1HZ       LYS  18  -5.793  -1.642  -6.358
  147   2HZ   LYS  18          2HZ       LYS  18  -5.593   0.000  -6.778
  148   3HZ   LYS  18          3HZ       LYS  18  -6.804  -0.486  -5.685
  149    H    HIS  19           H        HIS  19  -5.260   1.838  -0.863
  150    HA   HIS  19           HA       HIS  19  -4.698   0.348   1.259
  151   1HB   HIS  19          2HB       HIS  19  -7.070  -0.009  -0.631
  152   2HB   HIS  19          1HB       HIS  19  -7.027  -0.608   1.010
  153    HD1  HIS  19          1HD       HIS  19  -7.281   1.058   2.869
  154    HD2  HIS  19          2HD       HIS  19  -7.285   2.798  -0.917
  155    HE1  HIS  19          1HE       HIS  19  -8.058   3.421   3.036
  156    H    SER  20           H        SER  20  -5.993  -1.747  -1.402
  157    HA   SER  20           HA       SER  20  -4.688  -3.998  -0.175
  158   1HB   SER  20          2HB       SER  20  -5.659  -4.642  -2.846
  159   2HB   SER  20          1HB       SER  20  -6.398  -5.038  -1.299
  160    HG   SER  20           HG       SER  20  -7.844  -3.632  -1.947
  161    H    ALA  21           H        ALA  21  -2.630  -2.282  -0.808
  162    HA   ALA  21           HA       ALA  21  -1.133  -4.083  -2.564
  163   1HB   ALA  21          1HB       ALA  21  -0.994  -1.083  -2.942
  164   2HB   ALA  21          2HB       ALA  21  -2.058  -2.097  -3.944
  165   3HB   ALA  21          3HB       ALA  21  -0.315  -2.291  -4.014
  166    H    LYS  22           H        LYS  22  -1.360  -2.626   0.322
  167    HA   LYS  22           HA       LYS  22   1.325  -1.587   0.468
  168   1HB   LYS  22          2HB       LYS  22   1.045  -1.781   2.926
  169   2HB   LYS  22          1HB       LYS  22  -0.487  -1.270   2.243
  170   1HG   LYS  22          2HG       LYS  22  -1.414  -3.553   2.428
  171   2HG   LYS  22          1HG       LYS  22   0.143  -4.157   3.012
  172   1HD   LYS  22          2HD       LYS  22   0.040  -2.412   4.822
  173   2HD   LYS  22          1HD       LYS  22  -1.590  -2.048   4.319
  174   1HE   LYS  22          2HE       LYS  22  -1.115  -4.987   4.836
  175   2HE   LYS  22          1HE       LYS  22  -0.798  -3.995   6.246
  176   1HZ   LYS  22          1HZ       LYS  22  -3.210  -3.112   5.126
  177   2HZ   LYS  22          2HZ       LYS  22  -2.969  -3.898   6.617
  178   3HZ   LYS  22          3HZ       LYS  22  -3.296  -4.807   5.231
  179    H    TYR  23           H        TYR  23  -0.027  -4.663   0.250
  180    HA   TYR  23           HA       TYR  23   2.490  -6.043   1.002
  181   1HB   TYR  23          2HB       TYR  23   1.019  -8.078   0.802
  182   2HB   TYR  23          1HB       TYR  23   0.467  -6.906   1.978
  183    HD1  TYR  23          1HD       TYR  23  -0.163  -8.179  -1.472
  184    HD2  TYR  23          2HD       TYR  23  -1.652  -5.837   1.762
  185    HE1  TYR  23          1HE       TYR  23  -2.356  -8.087  -2.542
  186    HE2  TYR  23          2HE       TYR  23  -3.845  -5.755   0.693
  187    HH   TYR  23           HH       TYR  23  -4.544  -7.522  -2.260
  188    H    ARG  24           H        ARG  24   1.574  -4.471  -1.539
  189    HA   ARG  24           HA       ARG  24   2.482  -6.455  -3.529
  190   1HB   ARG  24          2HB       ARG  24   0.605  -4.210  -3.631
  191   2HB   ARG  24          1HB       ARG  24   1.802  -4.111  -4.900
  192   1HG   ARG  24          2HG       ARG  24   0.833  -5.860  -6.085
  193   2HG   ARG  24          1HG       ARG  24   0.902  -6.898  -4.698
  194   1HD   ARG  24          2HD       ARG  24  -1.430  -6.537  -5.507
  195   2HD   ARG  24          1HD       ARG  24  -1.175  -6.102  -3.823
  196    HE   ARG  24           HE       ARG  24  -1.654  -3.898  -4.351
  197   1HH1  ARG  24          1HH2      ARG  24   0.501  -3.511  -6.195
  198   2HH1  ARG  24          2HH2      ARG  24  -0.208  -3.142  -7.715
  199   1HH2  ARG  24          2HH1      ARG  24  -3.303  -4.502  -6.532
  200   2HH2  ARG  24          1HH1      ARG  24  -2.610  -3.802  -7.947
  201    H    LEU  25           H        LEU  25   2.947  -3.034  -2.617
  202    HA   LEU  25           HA       LEU  25   5.611  -3.215  -3.923
  203   1HB   LEU  25          2HB       LEU  25   5.403  -0.625  -2.928
  204   2HB   LEU  25          1HB       LEU  25   5.004  -1.066  -4.540
  205    HG   LEU  25           HG       LEU  25   3.378   0.342  -3.581
  206   1HD1  LEU  25          1HD1      LEU  25   1.712  -2.134  -3.673
  207   2HD1  LEU  25          2HD1      LEU  25   2.713  -1.843  -5.079
  208   3HD1  LEU  25          3HD1      LEU  25   1.519  -0.663  -4.567
  209   1HD2  LEU  25          1HD2      LEU  25   1.834  -0.456  -1.790
  210   2HD2  LEU  25          2HD2      LEU  25   3.460   0.050  -1.369
  211   3HD2  LEU  25          3HD2      LEU  25   3.043  -1.668  -1.401
  212    H    SER  26           H        SER  26   4.945  -1.233  -1.269
  213    HA   SER  26           HA       SER  26   5.943  -3.212   0.737
  214   1HB   SER  26          2HB       SER  26   7.186  -0.411   0.314
  215   2HB   SER  26          1HB       SER  26   7.599  -1.544   1.614
  216    HG   SER  26           HG       SER  26   8.257  -1.666  -1.060
  217    H    PHE  27           H        PHE  27   4.834  -0.003   0.099
  218    HA   PHE  27           HA       PHE  27   2.682  -0.219   2.053
  219   1HB   PHE  27          2HB       PHE  27   4.955   1.795   2.347
  220   2HB   PHE  27          1HB       PHE  27   3.342   2.126   2.940
  221    HD1  PHE  27          1HD       PHE  27   6.467   0.597   3.708
  222    HD2  PHE  27          2HD       PHE  27   2.291   0.356   4.561
  223    HE1  PHE  27          1HE       PHE  27   6.947  -0.638   5.756
  224    HE2  PHE  27          2HE       PHE  27   2.786  -0.888   6.617
  225    HZ   PHE  27           HZ       PHE  27   5.123  -1.386   7.218
  226    H    CYS  28           H        CYS  28   4.434   2.254   0.257
  227    HA   CYS  28           HA       CYS  28   1.873   3.180  -0.944
  228   1HB   CYS  28          2HB       CYS  28   4.272   4.515   0.034
  229   2HB   CYS  28          1HB       CYS  28   3.668   5.179  -1.403
  230    H    ARG  29           H        ARG  29   1.641   3.723  -2.951
  231    HA   ARG  29           HA       ARG  29   3.680   3.633  -4.970
  232   1HB   ARG  29          2HB       ARG  29   1.922   1.382  -4.402
  233   2HB   ARG  29          1HB       ARG  29   1.486   1.985  -5.956
  234   1HG   ARG  29          2HG       ARG  29   4.411   1.560  -5.302
  235   2HG   ARG  29          1HG       ARG  29   3.450   0.213  -5.879
  236   1HD   ARG  29          2HD       ARG  29   3.665   2.883  -7.354
  237   2HD   ARG  29          1HD       ARG  29   4.695   1.506  -7.656
  238    HE   ARG  29           HE       ARG  29   1.717   1.287  -7.905
  239   1HH1  ARG  29          2HH1      ARG  29   3.353  -1.096  -8.207
  240   2HH1  ARG  29          1HH1      ARG  29   3.686  -1.214  -9.901
  241   1HH2  ARG  29          1HH2      ARG  29   2.807   2.221 -10.299
  242   2HH2  ARG  29          2HH2      ARG  29   3.311   0.846 -11.206
  243    H    LYS  30           H        LYS  30   0.325   3.171  -5.468
  244    HA   LYS  30           HA       LYS  30  -0.350   4.754  -7.505
  245   1HB   LYS  30          2HB       LYS  30  -1.842   3.273  -6.372
  246   2HB   LYS  30          1HB       LYS  30  -1.775   4.290  -4.961
  247   1HG   LYS  30          2HG       LYS  30  -3.891   4.708  -5.905
  248   2HG   LYS  30          1HG       LYS  30  -2.959   6.108  -6.314
  249   1HD   LYS  30          2HD       LYS  30  -2.500   4.366  -8.499
  250   2HD   LYS  30          1HD       LYS  30  -4.145   3.990  -8.032
  251   1HE   LYS  30          2HE       LYS  30  -4.296   5.846  -9.613
  252   2HE   LYS  30          1HE       LYS  30  -4.672   6.474  -8.017
  253   1HZ   LYS  30          1HZ       LYS  30  -2.563   7.250  -9.733
  254   2HZ   LYS  30          2HZ       LYS  30  -1.865   6.628  -8.351
  255   3HZ   LYS  30          3HZ       LYS  30  -2.945   7.883  -8.224
  256    H    THR  31           H        THR  31  -0.545   6.472  -4.372
  257    HA   THR  31           HA       THR  31  -0.711   9.123  -5.807
  258    HB   THR  31           HB       THR  31  -1.745   7.910  -3.372
  259    HG1  THR  31          1HG       THR  31  -3.518   9.402  -4.836
  260   1HG2  THR  31          1HG2      THR  31  -1.197  10.292  -2.722
  261   2HG2  THR  31          2HG2      THR  31  -2.929  10.085  -2.748
  262   3HG2  THR  31          3HG2      THR  31  -2.117  10.898  -4.091
  263    H    CYS  32           H        CYS  32   1.160   7.314  -4.513
  264    HA   CYS  32           HA       CYS  32   2.851   9.027  -2.838
  265   1HB   CYS  32          2HB       CYS  32   3.804   6.398  -3.532
  266   2HB   CYS  32          1HB       CYS  32   3.376   7.028  -1.964
  267    H    GLY  33           H        GLY  33   5.090   9.100  -3.146
  268   1HA   GLY  33          2HA       GLY  33   5.961   9.340  -5.998
  269   2HA   GLY  33          1HA       GLY  33   6.396  10.529  -4.763
  270    H    THR  34           H        THR  34   6.128   7.126  -4.303
  271    HA   THR  34           HA       THR  34   9.082   6.898  -3.798
  272    HB   THR  34           HB       THR  34   8.176   6.290  -1.695
  273    HG1  THR  34          1HG       THR  34   8.836   4.281  -1.907
  274   1HG2  THR  34          1HG2      THR  34   5.756   6.658  -2.199
  275   2HG2  THR  34          2HG2      THR  34   5.981   5.132  -1.377
  276   3HG2  THR  34          3HG2      THR  34   5.689   5.152  -3.101
  277   1HN   ABA  35           HN       ABA  35   6.837   4.206  -4.238
  278    HA   ABA  35           HA       ABA  35   8.310   3.576  -6.769
  279   1HB   ABA  35          1HB       ABA  35   7.120   1.305  -6.422
  280   2HB   ABA  35          2HB       ABA  35   6.639   1.913  -4.847
  281   1HG   ABA  35          1HG       ABA  35   8.665   1.077  -4.118
  282   2HG   ABA  35          2HG       ABA  35   9.368   2.496  -4.870
  283   3HG   ABA  35          3HG       ABA  35   9.312   0.976  -5.750
  Start of MODEL    8
    1   1H    ARG   1          1H        ARG   1  -3.885  11.948   9.328
    2   2H    ARG   1          2H        ARG   1  -4.703  10.459   9.273
    3   3H    ARG   1          3H        ARG   1  -5.457  11.824   9.934
    4    HA   ARG   1           HA       ARG   1  -5.426  10.961   7.221
    5   1HB   ARG   1          2HB       ARG   1  -7.020  12.644   9.031
    6   2HB   ARG   1          1HB       ARG   1  -6.665  13.568   7.609
    7   1HG   ARG   1          2HG       ARG   1  -7.439  11.011   6.585
    8   2HG   ARG   1          1HG       ARG   1  -8.453  11.245   7.983
    9   1HD   ARG   1          2HD       ARG   1  -9.279  12.104   5.649
   10   2HD   ARG   1          1HD       ARG   1  -9.561  13.097   7.070
   11    HE   ARG   1           HE       ARG   1  -7.224  13.561   5.227
   12   1HH1  ARG   1          2HH1      ARG   1 -10.076  14.722   5.042
   13   2HH1  ARG   1          1HH1      ARG   1  -9.867  16.327   5.618
   14   1HH2  ARG   1          2HH2      ARG   1  -6.627  15.458   6.882
   15   2HH2  ARG   1          1HH2      ARG   1  -7.747  16.767   6.810
   16    H    SER   2           H        SER   2  -2.905  11.346   7.476
   17    HA   SER   2           HA       SER   2  -2.289  13.513   5.643
   18   1HB   SER   2          2HB       SER   2  -0.849  13.287   8.380
   19   2HB   SER   2          1HB       SER   2  -0.615  14.558   7.170
   20    HG   SER   2           HG       SER   2  -3.109  14.670   7.441
   21   1HN   ABA   3           HN       ABA   3   0.553  13.069   6.240
   22    HA   ABA   3           HA       ABA   3   1.021  10.751   4.571
   23   1HB   ABA   3          1HB       ABA   3   2.669  12.537   4.417
   24   2HB   ABA   3          2HB       ABA   3   3.480  11.268   5.293
   25   1HG   ABA   3          1HG       ABA   3   2.487  12.549   7.441
   26   2HG   ABA   3          2HG       ABA   3   2.538  13.917   6.328
   27   3HG   ABA   3          3HG       ABA   3   3.993  13.019   6.691
   28    H    ILE   4           H        ILE   4   2.922   9.078   5.555
   29    HA   ILE   4           HA       ILE   4   1.877   8.211   8.199
   30    HB   ILE   4           HB       ILE   4   1.187   6.470   6.892
   31   1HG1  ILE   4          2HG1      ILE   4   3.486   5.613   8.084
   32   2HG1  ILE   4          1HG1      ILE   4   2.314   4.609   7.284
   33   1HG2  ILE   4          1HG2      ILE   4   2.175   5.824   4.641
   34   2HG2  ILE   4          2HG2      ILE   4   3.124   7.292   4.743
   35   3HG2  ILE   4          3HG2      ILE   4   1.374   7.382   4.790
   36   1HD1  ILE   4          1HD1      ILE   4   4.384   5.711   5.399
   37   2HD1  ILE   4          2HD1      ILE   4   3.671   4.130   5.514
   38   3HD1  ILE   4          3HD1      ILE   4   4.954   4.590   6.621
   39    H    ASP   5           H        ASP   5   4.671   6.821   6.669
   40    HA   ASP   5           HA       ASP   5   6.470   8.350   8.427
   41   1HB   ASP   5          2HB       ASP   5   6.177   6.401   9.719
   42   2HB   ASP   5          1HB       ASP   5   6.049   5.344   8.341
   43    H    THR   6           H        THR   6   7.500   5.589   6.706
   44    HA   THR   6           HA       THR   6   9.787   6.034   5.649
   45    HB   THR   6           HB       THR   6   9.266   4.571   3.722
   46    HG1  THR   6          1HG       THR   6   6.644   4.409   3.815
   47   1HG2  THR   6          1HG2      THR   6   8.171   2.768   4.845
   48   2HG2  THR   6          2HG2      THR   6   7.067   3.822   5.719
   49   3HG2  THR   6          3HG2      THR   6   8.740   3.707   6.199
   50    H    ILE   7           H        ILE   7   7.863   6.576   2.748
   51    HA   ILE   7           HA       ILE   7   9.299   9.191   2.427
   52    HB   ILE   7           HB       ILE   7   9.521   8.379  -0.082
   53   1HG1  ILE   7          2HG1      ILE   7   9.191   5.689   1.386
   54   2HG1  ILE   7          1HG1      ILE   7   8.075   6.325   0.204
   55   1HG2  ILE   7          1HG2      ILE   7  11.414   8.752   1.454
   56   2HG2  ILE   7          2HG2      ILE   7  11.703   7.281   0.553
   57   3HG2  ILE   7          3HG2      ILE   7  11.153   7.194   2.216
   58   1HD1  ILE   7          1HD1      ILE   7  10.909   5.339  -0.221
   59   2HD1  ILE   7          2HD1      ILE   7  10.125   6.359  -1.420
   60   3HD1  ILE   7          3HD1      ILE   7   9.432   4.798  -0.993
   61    HA   PRO   8           HA       PRO   8   4.907   9.802   0.871
   62   1HB   PRO   8          2HB       PRO   8   3.519  10.657   3.055
   63   2HB   PRO   8          1HB       PRO   8   3.680   8.933   2.714
   64   1HG   PRO   8          2HG       PRO   8   5.342  10.610   4.645
   65   2HG   PRO   8          1HG       PRO   8   4.693   8.986   4.891
   66   1HD   PRO   8          2HD       PRO   8   7.287   9.500   4.148
   67   2HD   PRO   8          1HD       PRO   8   6.424   7.991   3.783
   68    H    LYS   9           H        LYS   9   5.594  11.586  -0.197
   69    HA   LYS   9           HA       LYS   9   6.662  13.879   1.329
   70   1HB   LYS   9          2HB       LYS   9   7.414  12.771  -1.060
   71   2HB   LYS   9          1HB       LYS   9   6.332  14.004  -1.672
   72   1HG   LYS   9          2HG       LYS   9   7.607  15.758  -0.829
   73   2HG   LYS   9          1HG       LYS   9   8.402  14.762   0.382
   74   1HD   LYS   9          2HD       LYS   9   9.491  13.453  -1.537
   75   2HD   LYS   9          1HD       LYS   9   8.866  14.679  -2.631
   76   1HE   LYS   9          2HE       LYS   9  10.115  16.445  -1.365
   77   2HE   LYS   9          1HE       LYS   9  10.710  15.228  -0.245
   78   1HZ   LYS   9          1HZ       LYS   9  11.827  15.996  -2.696
   79   2HZ   LYS   9          2HZ       LYS   9  11.321  14.382  -2.859
   80   3HZ   LYS   9          3HZ       LYS   9  12.369  14.808  -1.605
   81    H    SER  10           H        SER  10   3.892  12.965   0.857
   82    HA   SER  10           HA       SER  10   2.607  15.609   1.051
   83   1HB   SER  10          2HB       SER  10   1.976  13.626  -1.212
   84   2HB   SER  10          1HB       SER  10   0.941  15.010  -0.824
   85    HG   SER  10           HG       SER  10   3.523  15.837  -0.935
   86    H    ARG  11           H        ARG  11   0.440  13.186   0.125
   87    HA   ARG  11           HA       ARG  11   0.048  12.200   2.879
   88   1HB   ARG  11          2HB       ARG  11  -1.493  14.027   2.740
   89   2HB   ARG  11          1HB       ARG  11  -1.913  13.704   1.090
   90   1HG   ARG  11          2HG       ARG  11  -2.585  11.340   2.650
   91   2HG   ARG  11          1HG       ARG  11  -3.117  12.708   3.582
   92   1HD   ARG  11          2HD       ARG  11  -4.865  11.802   1.922
   93   2HD   ARG  11          1HD       ARG  11  -4.533  13.523   1.704
   94    HE   ARG  11           HE       ARG  11  -2.881  12.736  -0.119
   95   1HH1  ARG  11          2HH1      ARG  11  -3.071   9.956   0.368
   96   2HH1  ARG  11          1HH1      ARG  11  -4.107   9.340  -0.873
   97   1HH2  ARG  11          1HH2      ARG  11  -5.389  12.663  -1.326
   98   2HH2  ARG  11          2HH2      ARG  11  -5.595  11.064  -1.898
   99    H    CYS  12           H        CYS  12   1.211  10.451   1.861
  100    HA   CYS  12           HA       CYS  12  -0.529   8.752   0.172
  101   1HB   CYS  12          2HB       CYS  12   1.229   8.166  -1.152
  102   2HB   CYS  12          1HB       CYS  12   1.858   9.700  -0.716
  103    H    THR  13           H        THR  13  -1.034   6.826   1.222
  104    HA   THR  13           HA       THR  13   0.750   5.769   3.225
  105    HB   THR  13           HB       THR  13  -0.615   6.189   5.055
  106    HG1  THR  13          1HG       THR  13  -3.086   6.405   4.335
  107   1HG2  THR  13          1HG2      THR  13  -2.268   8.165   4.782
  108   2HG2  THR  13          2HG2      THR  13  -1.873   8.101   3.074
  109   3HG2  THR  13          3HG2      THR  13  -0.637   8.501   4.226
  110    H    ALA  14           H        ALA  14   0.063   3.611   3.878
  111    HA   ALA  14           HA       ALA  14  -0.993   2.270   1.523
  112   1HB   ALA  14          1HB       ALA  14   0.654   1.610   3.806
  113   2HB   ALA  14          2HB       ALA  14   0.318   0.668   2.366
  114   3HB   ALA  14          3HB       ALA  14  -0.688   0.470   3.790
  115    H    PHE  15           H        PHE  15  -2.352   4.002   3.817
  116    HA   PHE  15           HA       PHE  15  -4.707   2.403   4.376
  117   1HB   PHE  15          2HB       PHE  15  -4.355   5.179   5.366
  118   2HB   PHE  15          1HB       PHE  15  -4.987   3.751   6.141
  119    HD1  PHE  15          1HD       PHE  15  -2.787   1.808   5.888
  120    HD2  PHE  15          2HD       PHE  15  -2.677   5.958   6.836
  121    HE1  PHE  15          1HE       PHE  15  -0.676   1.485   7.015
  122    HE2  PHE  15          2HE       PHE  15  -0.572   5.651   7.970
  123    HZ   PHE  15           HZ       PHE  15   0.475   3.411   8.094
  124    H    GLN  16           H        GLN  16  -3.431   4.275   2.026
  125    HA   GLN  16           HA       GLN  16  -6.059   5.001   0.954
  126   1HB   GLN  16          2HB       GLN  16  -4.669   7.318   0.440
  127   2HB   GLN  16          1HB       GLN  16  -6.098   7.029   1.416
  128   1HG   GLN  16          2HG       GLN  16  -4.786   6.674   3.379
  129   2HG   GLN  16          1HG       GLN  16  -3.302   6.729   2.386
  130   1HE2  GLN  16          1HE2      GLN  16  -6.118   8.528   3.362
  131   2HE2  GLN  16          2HE2      GLN  16  -5.482  10.085   3.073
  132    H    CYS  17           H        CYS  17  -2.624   5.618   0.406
  133    HA   CYS  17           HA       CYS  17  -2.291   6.231  -2.163
  134   1HB   CYS  17          2HB       CYS  17  -0.405   5.167  -0.454
  135   2HB   CYS  17          1HB       CYS  17  -0.696   3.767  -1.394
  136    H    LYS  18           H        LYS  18  -2.812   3.112  -1.089
  137    HA   LYS  18           HA       LYS  18  -4.556   2.224  -3.109
  138   1HB   LYS  18          2HB       LYS  18  -2.694   2.408  -4.503
  139   2HB   LYS  18          1HB       LYS  18  -1.614   1.615  -3.403
  140   1HG   LYS  18          2HG       LYS  18  -2.259   0.048  -5.310
  141   2HG   LYS  18          1HG       LYS  18  -2.633  -0.500  -3.697
  142   1HD   LYS  18          2HD       LYS  18  -4.529  -1.118  -4.950
  143   2HD   LYS  18          1HD       LYS  18  -5.030   0.232  -3.976
  144   1HE   LYS  18          2HE       LYS  18  -4.183   1.556  -6.240
  145   2HE   LYS  18          1HE       LYS  18  -4.658   0.019  -6.939
  146   1HZ   LYS  18          1HZ       LYS  18  -6.751   0.676  -6.828
  147   2HZ   LYS  18          2HZ       LYS  18  -6.267   2.136  -6.104
  148   3HZ   LYS  18          3HZ       LYS  18  -6.692   0.800  -5.152
  149    H    HIS  19           H        HIS  19  -5.489   1.632  -1.081
  150    HA   HIS  19           HA       HIS  19  -4.734   0.255   1.042
  151   1HB   HIS  19          2HB       HIS  19  -7.231  -0.138  -0.675
  152   2HB   HIS  19          1HB       HIS  19  -7.045  -0.850   0.914
  153    HD1  HIS  19          1HD       HIS  19  -7.093   0.749   2.925
  154    HD2  HIS  19          2HD       HIS  19  -7.415   2.656  -0.775
  155    HE1  HIS  19          1HE       HIS  19  -7.740   3.128   3.258
  156    H    SER  20           H        SER  20  -6.353  -1.876  -1.217
  157    HA   SER  20           HA       SER  20  -5.083  -4.156  -0.252
  158   1HB   SER  20          2HB       SER  20  -6.303  -4.321  -3.008
  159   2HB   SER  20          1HB       SER  20  -6.750  -5.200  -1.545
  160    HG   SER  20           HG       SER  20  -8.371  -3.777  -1.650
  161    H    ALA  21           H        ALA  21  -2.943  -2.398  -1.287
  162    HA   ALA  21           HA       ALA  21  -1.441  -4.459  -2.745
  163   1HB   ALA  21          1HB       ALA  21  -1.098  -3.246  -4.642
  164   2HB   ALA  21          2HB       ALA  21  -1.069  -1.720  -3.792
  165   3HB   ALA  21          3HB       ALA  21  -2.619  -2.460  -4.257
  166    H    LYS  22           H        LYS  22  -1.805  -2.513  -0.159
  167    HA   LYS  22           HA       LYS  22   0.740  -1.236  -0.074
  168   1HB   LYS  22          2HB       LYS  22   0.581  -1.416   2.402
  169   2HB   LYS  22          1HB       LYS  22  -0.952  -0.881   1.727
  170   1HG   LYS  22          2HG       LYS  22  -1.778  -3.244   1.870
  171   2HG   LYS  22          1HG       LYS  22  -0.224  -3.674   2.607
  172   1HD   LYS  22          2HD       LYS  22  -0.643  -2.240   4.512
  173   2HD   LYS  22          1HD       LYS  22  -2.016  -1.481   3.732
  174   1HE   LYS  22          2HE       LYS  22  -2.686  -3.218   5.445
  175   2HE   LYS  22          1HE       LYS  22  -3.329  -3.497   3.831
  176   1HZ   LYS  22          1HZ       LYS  22  -1.714  -5.194   5.362
  177   2HZ   LYS  22          2HZ       LYS  22  -0.795  -4.757   4.007
  178   3HZ   LYS  22          3HZ       LYS  22  -2.326  -5.480   3.825
  179    H    TYR  23           H        TYR  23  -0.238  -4.537   0.271
  180    HA   TYR  23           HA       TYR  23   2.424  -5.453   1.140
  181   1HB   TYR  23          2HB       TYR  23   1.314  -7.731   1.056
  182   2HB   TYR  23          1HB       TYR  23   0.516  -6.595   2.111
  183    HD1  TYR  23          1HD       TYR  23  -1.631  -5.429   1.307
  184    HD2  TYR  23          2HD       TYR  23   0.171  -8.641  -0.841
  185    HE1  TYR  23          1HE       TYR  23  -3.710  -5.793   0.095
  186    HE2  TYR  23          2HE       TYR  23  -1.928  -9.003  -2.043
  187    HH   TYR  23           HH       TYR  23  -4.602  -8.321  -1.357
  188    H    ARG  24           H        ARG  24   1.394  -4.447  -1.668
  189    HA   ARG  24           HA       ARG  24   2.829  -6.433  -3.306
  190   1HB   ARG  24          2HB       ARG  24   0.500  -4.854  -3.795
  191   2HB   ARG  24          1HB       ARG  24   1.737  -4.166  -4.815
  192   1HG   ARG  24          2HG       ARG  24   1.425  -5.781  -6.322
  193   2HG   ARG  24          1HG       ARG  24   2.121  -6.901  -5.190
  194   1HD   ARG  24          2HD       ARG  24  -0.146  -7.608  -5.850
  195   2HD   ARG  24          1HD       ARG  24   0.020  -7.243  -4.124
  196    HE   ARG  24           HE       ARG  24  -0.831  -4.971  -5.791
  197   1HH1  ARG  24          1HH2      ARG  24  -1.434  -6.838  -3.051
  198   2HH1  ARG  24          2HH2      ARG  24  -3.138  -6.597  -3.029
  199   1HH2  ARG  24          2HH1      ARG  24  -3.253  -5.077  -6.157
  200   2HH2  ARG  24          1HH1      ARG  24  -4.138  -5.581  -4.753
  201    H    LEU  25           H        LEU  25   2.602  -2.960  -2.647
  202    HA   LEU  25           HA       LEU  25   5.254  -2.618  -3.932
  203   1HB   LEU  25          2HB       LEU  25   4.511  -0.162  -2.686
  204   2HB   LEU  25          1HB       LEU  25   4.527  -0.611  -4.346
  205    HG   LEU  25           HG       LEU  25   2.417   0.351  -3.977
  206   1HD1  LEU  25          1HD1      LEU  25   2.644  -2.203  -5.122
  207   2HD1  LEU  25          2HD1      LEU  25   1.290  -1.104  -5.312
  208   3HD1  LEU  25          3HD1      LEU  25   1.245  -2.318  -4.079
  209   1HD2  LEU  25          1HD2      LEU  25   0.843  -0.635  -2.379
  210   2HD2  LEU  25          2HD2      LEU  25   2.214   0.258  -1.712
  211   3HD2  LEU  25          3HD2      LEU  25   2.199  -1.501  -1.680
  212    H    SER  26           H        SER  26   3.814  -1.507  -0.946
  213    HA   SER  26           HA       SER  26   5.253  -3.078   0.915
  214   1HB   SER  26          2HB       SER  26   6.736  -0.562   0.023
  215   2HB   SER  26          1HB       SER  26   6.767  -0.990   1.734
  216    HG   SER  26           HG       SER  26   7.533  -2.607  -0.456
  217    H    PHE  27           H        PHE  27   4.283   0.140   0.151
  218    HA   PHE  27           HA       PHE  27   2.191   0.136   2.146
  219   1HB   PHE  27          2HB       PHE  27   4.655   1.907   2.459
  220   2HB   PHE  27          1HB       PHE  27   3.101   2.358   3.114
  221    HD1  PHE  27          1HD       PHE  27   5.984   0.166   3.383
  222    HD2  PHE  27          2HD       PHE  27   2.114   0.928   4.988
  223    HE1  PHE  27          1HE       PHE  27   6.492  -1.271   5.267
  224    HE2  PHE  27          2HE       PHE  27   2.610  -0.502   6.877
  225    HZ   PHE  27           HZ       PHE  27   4.812  -1.613   7.061
  226    H    CYS  28           H        CYS  28   4.225   2.415   0.595
  227    HA   CYS  28           HA       CYS  28   1.991   3.758  -0.798
  228   1HB   CYS  28          2HB       CYS  28   4.477   4.623   0.546
  229   2HB   CYS  28          1HB       CYS  28   4.132   5.525  -0.841
  230    H    ARG  29           H        ARG  29   2.133   4.215  -2.780
  231    HA   ARG  29           HA       ARG  29   4.236   4.236  -4.659
  232   1HB   ARG  29          2HB       ARG  29   4.019   1.732  -4.155
  233   2HB   ARG  29          1HB       ARG  29   2.613   1.860  -5.227
  234   1HG   ARG  29          2HG       ARG  29   5.069   3.327  -6.225
  235   2HG   ARG  29          1HG       ARG  29   5.298   1.633  -6.016
  236   1HD   ARG  29          2HD       ARG  29   2.963   2.674  -7.592
  237   2HD   ARG  29          1HD       ARG  29   4.524   2.185  -8.280
  238    HE   ARG  29           HE       ARG  29   2.800   0.388  -6.591
  239   1HH1  ARG  29          2HH1      ARG  29   5.531  -0.282  -6.646
  240   2HH1  ARG  29          1HH1      ARG  29   5.802  -1.334  -7.967
  241   1HH2  ARG  29          1HH2      ARG  29   2.661  -0.256  -9.377
  242   2HH2  ARG  29          2HH2      ARG  29   4.010  -1.282  -9.705
  243    H    LYS  30           H        LYS  30   0.601   3.791  -4.533
  244    HA   LYS  30           HA       LYS  30   0.482   4.685  -7.337
  245   1HB   LYS  30          2HB       LYS  30  -1.254   3.300  -5.519
  246   2HB   LYS  30          1HB       LYS  30  -2.113   4.765  -5.947
  247   1HG   LYS  30          2HG       LYS  30  -0.879   2.830  -7.941
  248   2HG   LYS  30          1HG       LYS  30  -2.583   2.851  -7.502
  249   1HD   LYS  30          2HD       LYS  30  -2.984   4.863  -8.607
  250   2HD   LYS  30          1HD       LYS  30  -1.384   5.477  -8.301
  251   1HE   LYS  30          2HE       LYS  30  -1.702   4.963 -10.740
  252   2HE   LYS  30          1HE       LYS  30  -0.362   4.084 -10.029
  253   1HZ   LYS  30          1HZ       LYS  30  -1.395   2.139 -10.610
  254   2HZ   LYS  30          2HZ       LYS  30  -2.617   3.062 -11.323
  255   3HZ   LYS  30          3HZ       LYS  30  -2.756   2.596  -9.704
  256    H    THR  31           H        THR  31  -0.677   6.019  -4.232
  257    HA   THR  31           HA       THR  31  -0.993   8.719  -5.414
  258    HB   THR  31           HB       THR  31  -1.026   7.680  -2.613
  259    HG1  THR  31          1HG       THR  31  -2.666   7.112  -4.535
  260   1HG2  THR  31          1HG2      THR  31  -1.670   9.879  -1.986
  261   2HG2  THR  31          2HG2      THR  31  -2.955   9.877  -3.198
  262   3HG2  THR  31          3HG2      THR  31  -1.322  10.392  -3.617
  263    H    CYS  32           H        CYS  32   1.310   6.766  -4.413
  264    HA   CYS  32           HA       CYS  32   3.194   8.721  -3.288
  265   1HB   CYS  32          2HB       CYS  32   3.671   5.825  -3.597
  266   2HB   CYS  32          1HB       CYS  32   4.236   6.902  -2.404
  267    H    GLY  33           H        GLY  33   3.738   6.087  -5.745
  268   1HA   GLY  33          2HA       GLY  33   4.796   6.432  -7.866
  269   2HA   GLY  33          1HA       GLY  33   5.135   8.109  -7.408
  270    H    THR  34           H        THR  34   5.714   5.996  -4.919
  271    HA   THR  34           HA       THR  34   8.513   6.407  -4.782
  272    HB   THR  34           HB       THR  34   8.019   4.652  -2.777
  273    HG1  THR  34          1HG       THR  34   5.936   4.033  -2.841
  274   1HG2  THR  34          1HG2      THR  34   6.473   6.324  -1.617
  275   2HG2  THR  34          2HG2      THR  34   6.469   7.273  -3.101
  276   3HG2  THR  34          3HG2      THR  34   7.962   7.058  -2.200
  277   1HN   ABA  35           HN       ABA  35   7.052   3.355  -4.320
  278    HA   ABA  35           HA       ABA  35   8.266   1.952  -6.555
  279   1HB   ABA  35          1HB       ABA  35   9.512   1.221  -3.886
  280   2HB   ABA  35          2HB       ABA  35  10.236   2.490  -4.864
  281   1HG   ABA  35          1HG       ABA  35   9.662  -0.254  -6.023
  282   2HG   ABA  35          2HG       ABA  35  11.186   0.128  -5.240
  283   3HG   ABA  35          3HG       ABA  35  10.706   0.998  -6.686
  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1  -0.593  18.005   5.104
    2   2H    ARG   1          2H        ARG   1  -1.419  17.942   3.617
    3   3H    ARG   1          3H        ARG   1  -0.341  19.210   3.938
    4    HA   ARG   1           HA       ARG   1   0.282  16.647   2.868
    5   1HB   ARG   1          2HB       ARG   1   2.261  18.839   3.672
    6   2HB   ARG   1          1HB       ARG   1   2.337  17.826   2.261
    7   1HG   ARG   1          2HG       ARG   1   0.072  19.098   1.557
    8   2HG   ARG   1          1HG       ARG   1   0.632  20.314   2.702
    9   1HD   ARG   1          2HD       ARG   1   1.532  20.988   0.656
   10   2HD   ARG   1          1HD       ARG   1   2.891  20.232   1.492
   11    HE   ARG   1           HE       ARG   1   1.601  18.155  -0.004
   12   1HH1  ARG   1          2HH2      ARG   1   1.153  20.306  -1.933
   13   2HH1  ARG   1          1HH2      ARG   1   2.602  20.390  -2.861
   14   1HH2  ARG   1          2HH1      ARG   1   4.306  18.495  -0.370
   15   2HH2  ARG   1          1HH1      ARG   1   4.589  19.308  -1.868
   16    H    SER   2           H        SER   2   0.542  14.923   4.220
   17    HA   SER   2           HA       SER   2   2.464  15.188   6.329
   18   1HB   SER   2          2HB       SER   2  -0.297  14.269   7.263
   19   2HB   SER   2          1HB       SER   2   1.022  14.932   8.244
   20    HG   SER   2           HG       SER   2   0.731  16.911   7.111
   21   1HN   ABA   3           HN       ABA   3   3.568  13.308   5.968
   22    HA   ABA   3           HA       ABA   3   2.171  10.967   4.853
   23   1HB   ABA   3          1HB       ABA   3   4.283  11.645   3.828
   24   2HB   ABA   3          2HB       ABA   3   4.518  10.097   4.634
   25   1HG   ABA   3          1HG       ABA   3   5.181  11.985   6.643
   26   2HG   ABA   3          2HG       ABA   3   5.841  12.683   5.174
   27   3HG   ABA   3          3HG       ABA   3   6.306  11.072   5.666
   28    H    ILE   4           H        ILE   4   2.798   8.841   6.071
   29    HA   ILE   4           HA       ILE   4   2.886   9.299   9.008
   30    HB   ILE   4           HB       ILE   4   0.988   8.187   8.970
   31   1HG1  ILE   4          2HG1      ILE   4   2.649   6.130   9.336
   32   2HG1  ILE   4          1HG1      ILE   4   0.940   5.876   9.183
   33   1HG2  ILE   4          1HG2      ILE   4   1.256   7.379   6.079
   34   2HG2  ILE   4          2HG2      ILE   4   0.497   8.832   6.724
   35   3HG2  ILE   4          3HG2      ILE   4  -0.183   7.270   7.089
   36   1HD1  ILE   4          1HD1      ILE   4   2.637   4.391   7.740
   37   2HD1  ILE   4          2HD1      ILE   4   2.596   5.728   6.628
   38   3HD1  ILE   4          3HD1      ILE   4   1.126   4.893   7.018
   39    H    ASP   5           H        ASP   5   3.740   7.154   6.449
   40    HA   ASP   5           HA       ASP   5   6.164   6.303   7.934
   41   1HB   ASP   5          2HB       ASP   5   4.824   4.298   7.780
   42   2HB   ASP   5          1HB       ASP   5   4.300   4.652   6.136
   43    H    THR   6           H        THR   6   5.346   5.459   4.665
   44    HA   THR   6           HA       THR   6   7.750   6.105   3.548
   45    HB   THR   6           HB       THR   6   5.837   6.521   1.433
   46    HG1  THR   6          1HG       THR   6   4.018   5.963   2.455
   47   1HG2  THR   6          1HG2      THR   6   6.545   3.807   2.677
   48   2HG2  THR   6          2HG2      THR   6   7.778   4.713   1.830
   49   3HG2  THR   6          3HG2      THR   6   6.372   4.157   0.961
   50    H    ILE   7           H        ILE   7   7.887   7.562   1.570
   51    HA   ILE   7           HA       ILE   7   7.462  10.394   2.499
   52    HB   ILE   7           HB       ILE   7   9.696  10.800   1.248
   53   1HG1  ILE   7          2HG1      ILE   7  10.032   7.803   1.836
   54   2HG1  ILE   7          1HG1      ILE   7   9.776   8.463   0.228
   55   1HG2  ILE   7          1HG2      ILE   7   9.832   9.155   3.823
   56   2HG2  ILE   7          2HG2      ILE   7   9.155  10.769   3.801
   57   3HG2  ILE   7          3HG2      ILE   7  10.834  10.524   3.367
   58   1HD1  ILE   7          1HD1      ILE   7  12.164   8.138   0.613
   59   2HD1  ILE   7          2HD1      ILE   7  12.104   9.126   2.065
   60   3HD1  ILE   7          3HD1      ILE   7  11.819   9.856   0.485
   61    HA   PRO   8           HA       PRO   8   5.744  10.701  -1.677
   62   1HB   PRO   8          2HB       PRO   8   3.163  11.107  -1.125
   63   2HB   PRO   8          1HB       PRO   8   3.837   9.477  -0.987
   64   1HG   PRO   8          2HG       PRO   8   3.516  11.540   1.302
   65   2HG   PRO   8          1HG       PRO   8   3.006   9.852   1.313
   66   1HD   PRO   8          2HD       PRO   8   5.367  10.622   2.364
   67   2HD   PRO   8          1HD       PRO   8   5.074   9.016   1.672
   68    H    LYS   9           H        LYS   9   4.415  12.779  -2.324
   69    HA   LYS   9           HA       LYS   9   5.751  14.996  -0.917
   70   1HB   LYS   9          2HB       LYS   9   5.664  14.644  -3.474
   71   2HB   LYS   9          1HB       LYS   9   3.976  15.109  -3.398
   72   1HG   LYS   9          2HG       LYS   9   4.414  17.300  -2.962
   73   2HG   LYS   9          1HG       LYS   9   5.871  16.981  -2.037
   74   1HD   LYS   9          2HD       LYS   9   5.969  16.338  -4.982
   75   2HD   LYS   9          1HD       LYS   9   5.895  18.037  -4.568
   76   1HE   LYS   9          2HE       LYS   9   7.883  17.786  -3.076
   77   2HE   LYS   9          1HE       LYS   9   7.952  16.071  -3.439
   78   1HZ   LYS   9          1HZ       LYS   9   9.175  16.551  -5.215
   79   2HZ   LYS   9          2HZ       LYS   9   9.066  18.203  -4.880
   80   3HZ   LYS   9          3HZ       LYS   9   7.922  17.474  -5.885
   81    H    SER  10           H        SER  10   3.478  13.558   0.246
   82    HA   SER  10           HA       SER  10   2.137  15.727   1.517
   83   1HB   SER  10          2HB       SER  10   0.680  14.532  -0.827
   84   2HB   SER  10          1HB       SER  10  -0.265  15.074   0.571
   85    HG   SER  10           HG       SER  10   1.457  16.495  -1.079
   86    H    ARG  11           H        ARG  11  -0.091  13.162   0.879
   87    HA   ARG  11           HA       ARG  11   0.371  12.022   3.540
   88   1HB   ARG  11          2HB       ARG  11  -2.064  11.881   3.699
   89   2HB   ARG  11          1HB       ARG  11  -1.423  13.510   3.759
   90   1HG   ARG  11          2HG       ARG  11  -1.947  13.439   1.090
   91   2HG   ARG  11          1HG       ARG  11  -2.877  12.018   1.471
   92   1HD   ARG  11          2HD       ARG  11  -3.840  14.618   1.448
   93   2HD   ARG  11          1HD       ARG  11  -4.636  13.262   2.221
   94    HE   ARG  11           HE       ARG  11  -2.661  14.997   3.649
   95   1HH1  ARG  11          1HH2      ARG  11  -5.469  15.845   3.866
   96   2HH1  ARG  11          2HH2      ARG  11  -6.069  15.055   5.272
   97   1HH2  ARG  11          2HH1      ARG  11  -3.334  12.762   5.190
   98   2HH2  ARG  11          1HH1      ARG  11  -4.734  13.176   6.101
   99    H    CYS  12           H        CYS  12   1.508  10.565   1.860
  100    HA   CYS  12           HA       CYS  12  -0.455   8.621   0.758
  101   1HB   CYS  12          2HB       CYS  12   1.038   7.837  -0.692
  102   2HB   CYS  12          1HB       CYS  12   1.765   9.371  -0.534
  103    H    THR  13           H        THR  13  -0.992   7.017   1.894
  104    HA   THR  13           HA       THR  13   0.844   5.735   3.779
  105    HB   THR  13           HB       THR  13  -0.698   5.980   5.577
  106    HG1  THR  13          1HG       THR  13  -3.073   6.347   4.663
  107   1HG2  THR  13          1HG2      THR  13  -0.543   8.384   4.794
  108   2HG2  THR  13          2HG2      THR  13  -2.173   8.042   5.371
  109   3HG2  THR  13          3HG2      THR  13  -1.820   8.111   3.654
  110    H    ALA  14           H        ALA  14   0.049   3.450   4.103
  111    HA   ALA  14           HA       ALA  14  -0.854   2.518   1.498
  112   1HB   ALA  14          1HB       ALA  14   0.095   0.558   2.234
  113   2HB   ALA  14          2HB       ALA  14  -0.944   0.471   3.635
  114   3HB   ALA  14          3HB       ALA  14   0.569   1.361   3.727
  115    H    PHE  15           H        PHE  15  -2.346   3.978   4.055
  116    HA   PHE  15           HA       PHE  15  -4.817   2.444   4.065
  117   1HB   PHE  15          2HB       PHE  15  -4.516   5.029   5.486
  118   2HB   PHE  15          1HB       PHE  15  -5.215   3.505   6.009
  119    HD1  PHE  15          1HD       PHE  15  -2.954   5.537   7.185
  120    HD2  PHE  15          2HD       PHE  15  -2.997   1.598   5.572
  121    HE1  PHE  15          1HE       PHE  15  -0.914   5.040   8.367
  122    HE2  PHE  15          2HE       PHE  15  -0.954   1.076   6.739
  123    HZ   PHE  15           HZ       PHE  15   0.137   2.793   8.185
  124    H    GLN  16           H        GLN  16  -3.315   4.490   2.134
  125    HA   GLN  16           HA       GLN  16  -5.813   5.417   0.924
  126   1HB   GLN  16          2HB       GLN  16  -3.998   7.670   0.761
  127   2HB   GLN  16          1HB       GLN  16  -5.658   7.569   1.341
  128   1HG   GLN  16          2HG       GLN  16  -4.802   6.693   3.506
  129   2HG   GLN  16          1HG       GLN  16  -3.188   6.947   2.858
  130   1HE2  GLN  16          1HE2      GLN  16  -4.777   9.380   1.517
  131   2HE2  GLN  16          2HE2      GLN  16  -4.650  10.583   2.721
  132    H    CYS  17           H        CYS  17  -2.306   5.950   0.534
  133    HA   CYS  17           HA       CYS  17  -1.954   6.520  -2.073
  134   1HB   CYS  17          2HB       CYS  17  -0.094   5.461  -0.369
  135   2HB   CYS  17          1HB       CYS  17  -0.383   4.068  -1.318
  136    H    LYS  18           H        LYS  18  -2.534   3.419  -0.923
  137    HA   LYS  18           HA       LYS  18  -4.108   2.502  -3.098
  138   1HB   LYS  18          2HB       LYS  18  -1.744   2.600  -4.142
  139   2HB   LYS  18          1HB       LYS  18  -1.265   1.403  -2.976
  140   1HG   LYS  18          2HG       LYS  18  -1.747   0.317  -5.153
  141   2HG   LYS  18          1HG       LYS  18  -2.768  -0.233  -3.848
  142   1HD   LYS  18          2HD       LYS  18  -4.125   0.024  -5.792
  143   2HD   LYS  18          1HD       LYS  18  -4.632   1.134  -4.550
  144   1HE   LYS  18          2HE       LYS  18  -3.571   3.032  -5.684
  145   2HE   LYS  18          1HE       LYS  18  -2.783   1.971  -6.846
  146   1HZ   LYS  18          1HZ       LYS  18  -5.371   3.074  -6.956
  147   2HZ   LYS  18          2HZ       LYS  18  -5.520   1.397  -6.866
  148   3HZ   LYS  18          3HZ       LYS  18  -4.621   2.092  -8.131
  149    H    HIS  19           H        HIS  19  -5.230   1.997  -0.961
  150    HA   HIS  19           HA       HIS  19  -4.678   0.419   1.077
  151   1HB   HIS  19          2HB       HIS  19  -7.086   0.262  -0.779
  152   2HB   HIS  19          1HB       HIS  19  -7.045  -0.485   0.807
  153    HD1  HIS  19          1HD       HIS  19  -7.293   1.053   2.816
  154    HD2  HIS  19          2HD       HIS  19  -7.062   3.046  -0.841
  155    HE1  HIS  19          1HE       HIS  19  -7.865   3.433   3.137
  156    H    SER  20           H        SER  20  -6.223  -1.542  -1.491
  157    HA   SER  20           HA       SER  20  -5.030  -3.891  -0.443
  158   1HB   SER  20          2HB       SER  20  -6.143  -4.098  -3.209
  159   2HB   SER  20          1HB       SER  20  -6.714  -4.863  -1.725
  160    HG   SER  20           HG       SER  20  -8.238  -3.399  -1.848
  161    H    ALA  21           H        ALA  21  -2.794  -2.353  -1.099
  162    HA   ALA  21           HA       ALA  21  -1.496  -4.305  -2.849
  163   1HB   ALA  21          1HB       ALA  21  -1.047  -1.346  -3.305
  164   2HB   ALA  21          2HB       ALA  21  -2.363  -2.181  -4.143
  165   3HB   ALA  21          3HB       ALA  21  -0.698  -2.671  -4.397
  166    H    LYS  22           H        LYS  22  -1.607  -2.682  -0.001
  167    HA   LYS  22           HA       LYS  22   1.131  -1.876   0.220
  168   1HB   LYS  22          2HB       LYS  22   0.836  -2.239   2.690
  169   2HB   LYS  22          1HB       LYS  22  -0.495  -1.338   1.987
  170   1HG   LYS  22          2HG       LYS  22  -1.946  -3.291   1.986
  171   2HG   LYS  22          1HG       LYS  22  -0.609  -4.323   2.523
  172   1HD   LYS  22          2HD       LYS  22  -0.376  -3.124   4.545
  173   2HD   LYS  22          1HD       LYS  22  -1.508  -1.870   4.042
  174   1HE   LYS  22          2HE       LYS  22  -3.399  -3.266   4.352
  175   2HE   LYS  22          1HE       LYS  22  -2.445  -4.744   4.297
  176   1HZ   LYS  22          1HZ       LYS  22  -3.144  -3.229   6.555
  177   2HZ   LYS  22          2HZ       LYS  22  -1.461  -3.150   6.390
  178   3HZ   LYS  22          3HZ       LYS  22  -2.228  -4.656   6.486
  179    H    TYR  23           H        TYR  23  -0.344  -4.966   0.228
  180    HA   TYR  23           HA       TYR  23   2.092  -6.365   1.131
  181   1HB   TYR  23          2HB       TYR  23   0.561  -8.402   0.530
  182   2HB   TYR  23          1HB       TYR  23   0.094  -7.365   1.863
  183    HD1  TYR  23          1HD       TYR  23  -1.841  -5.935   1.749
  184    HD2  TYR  23          2HD       TYR  23  -0.715  -8.251  -1.648
  185    HE1  TYR  23          1HE       TYR  23  -4.006  -5.480   0.727
  186    HE2  TYR  23          2HE       TYR  23  -2.901  -7.784  -2.661
  187    HH   TYR  23           HH       TYR  23  -4.619  -5.993  -2.499
  188    H    ARG  24           H        ARG  24   1.286  -4.870  -1.536
  189    HA   ARG  24           HA       ARG  24   2.674  -6.665  -3.403
  190   1HB   ARG  24          2HB       ARG  24   0.457  -4.780  -3.675
  191   2HB   ARG  24          1HB       ARG  24   1.622  -4.746  -4.990
  192   1HG   ARG  24          2HG       ARG  24   1.096  -6.845  -5.742
  193   2HG   ARG  24          1HG       ARG  24   0.852  -7.492  -4.136
  194   1HD   ARG  24          2HD       ARG  24  -1.232  -7.241  -5.644
  195   2HD   ARG  24          1HD       ARG  24  -1.313  -6.704  -3.969
  196    HE   ARG  24           HE       ARG  24  -1.626  -4.524  -4.698
  197   1HH1  ARG  24          2HH1      ARG  24  -2.186  -5.983  -7.394
  198   2HH1  ARG  24          1HH1      ARG  24  -1.366  -4.981  -8.521
  199   1HH2  ARG  24          1HH2      ARG  24   0.408  -3.377  -5.854
  200   2HH2  ARG  24          2HH2      ARG  24   0.177  -3.344  -7.555
  201    H    LEU  25           H        LEU  25   2.563  -3.180  -2.545
  202    HA   LEU  25           HA       LEU  25   5.138  -2.872  -3.950
  203   1HB   LEU  25          2HB       LEU  25   4.459  -0.350  -2.763
  204   2HB   LEU  25          1HB       LEU  25   4.367  -0.842  -4.407
  205    HG   LEU  25           HG       LEU  25   2.215   0.069  -3.909
  206   1HD1  LEU  25          1HD1      LEU  25   2.487  -2.247  -5.179
  207   2HD1  LEU  25          2HD1      LEU  25   0.989  -1.331  -4.987
  208   3HD1  LEU  25          3HD1      LEU  25   1.341  -2.682  -3.926
  209   1HD2  LEU  25          1HD2      LEU  25   2.187  -1.676  -1.548
  210   2HD2  LEU  25          2HD2      LEU  25   0.836  -0.723  -2.146
  211   3HD2  LEU  25          3HD2      LEU  25   2.324   0.068  -1.639
  212    H    SER  26           H        SER  26   3.713  -1.868  -0.907
  213    HA   SER  26           HA       SER  26   5.349  -3.267   0.895
  214   1HB   SER  26          2HB       SER  26   6.558  -0.693  -0.121
  215   2HB   SER  26          1HB       SER  26   6.542  -0.859   1.641
  216    HG   SER  26           HG       SER  26   8.001  -2.359   1.452
  217    H    PHE  27           H        PHE  27   4.208  -0.084   0.253
  218    HA   PHE  27           HA       PHE  27   1.985  -0.229   2.083
  219   1HB   PHE  27          2HB       PHE  27   4.322   1.694   2.570
  220   2HB   PHE  27          1HB       PHE  27   2.737   1.907   3.248
  221    HD1  PHE  27          1HD       PHE  27   1.851  -0.616   4.251
  222    HD2  PHE  27          2HD       PHE  27   5.855   0.822   4.076
  223    HE1  PHE  27          1HE       PHE  27   2.469  -2.169   5.996
  224    HE2  PHE  27          2HE       PHE  27   6.492  -0.745   5.826
  225    HZ   PHE  27           HZ       PHE  27   4.811  -2.257   6.826
  226    H    CYS  28           H        CYS  28   4.046   2.159   0.605
  227    HA   CYS  28           HA       CYS  28   1.799   3.542  -0.731
  228   1HB   CYS  28          2HB       CYS  28   4.391   4.267   0.534
  229   2HB   CYS  28          1HB       CYS  28   4.112   5.201  -0.838
  230    H    ARG  29           H        ARG  29   2.215   4.426  -2.850
  231    HA   ARG  29           HA       ARG  29   4.205   3.763  -4.709
  232   1HB   ARG  29          2HB       ARG  29   3.271   1.494  -4.224
  233   2HB   ARG  29          1HB       ARG  29   1.816   1.889  -5.089
  234   1HG   ARG  29          2HG       ARG  29   3.634   2.612  -6.878
  235   2HG   ARG  29          1HG       ARG  29   4.717   1.715  -5.852
  236   1HD   ARG  29          2HD       ARG  29   4.080   0.060  -7.424
  237   2HD   ARG  29          1HD       ARG  29   2.910  -0.229  -6.130
  238    HE   ARG  29           HE       ARG  29   1.389   1.351  -7.275
  239   1HH1  ARG  29          2HH1      ARG  29   3.962   1.741  -9.080
  240   2HH1  ARG  29          1HH1      ARG  29   3.390   1.239 -10.616
  241   1HH2  ARG  29          1HH2      ARG  29   0.514  -0.246  -9.076
  242   2HH2  ARG  29          2HH2      ARG  29   1.270  -0.016 -10.612
  243    H    LYS  30           H        LYS  30   0.912   3.238  -5.701
  244    HA   LYS  30           HA       LYS  30   0.704   4.876  -7.808
  245   1HB   LYS  30          2HB       LYS  30  -1.177   3.576  -6.240
  246   2HB   LYS  30          1HB       LYS  30  -1.691   5.224  -6.045
  247   1HG   LYS  30          2HG       LYS  30  -1.494   3.633  -8.632
  248   2HG   LYS  30          1HG       LYS  30  -2.914   4.396  -7.958
  249   1HD   LYS  30          2HD       LYS  30  -0.523   6.031  -8.937
  250   2HD   LYS  30          1HD       LYS  30  -1.764   5.478  -9.998
  251   1HE   LYS  30          2HE       LYS  30  -3.153   7.184  -9.446
  252   2HE   LYS  30          1HE       LYS  30  -3.114   6.748  -7.750
  253   1HZ   LYS  30          1HZ       LYS  30  -0.680   8.044  -8.419
  254   2HZ   LYS  30          2HZ       LYS  30  -1.870   8.536  -7.329
  255   3HZ   LYS  30          3HZ       LYS  30  -1.971   8.987  -8.954
  256    H    THR  31           H        THR  31   0.036   6.157  -4.657
  257    HA   THR  31           HA       THR  31  -0.097   8.999  -5.545
  258    HB   THR  31           HB       THR  31  -0.487   7.760  -2.900
  259    HG1  THR  31          1HG       THR  31  -2.082   6.692  -4.010
  260   1HG2  THR  31          1HG2      THR  31  -2.248   9.581  -2.639
  261   2HG2  THR  31          2HG2      THR  31  -1.872  10.183  -4.250
  262   3HG2  THR  31          3HG2      THR  31  -0.676  10.302  -2.957
  263    H    CYS  32           H        CYS  32   1.986   6.922  -4.593
  264    HA   CYS  32           HA       CYS  32   3.688   8.710  -2.992
  265   1HB   CYS  32          2HB       CYS  32   3.917   5.757  -3.531
  266   2HB   CYS  32          1HB       CYS  32   4.657   6.699  -2.263
  267    H    GLY  33           H        GLY  33   4.260   6.556  -5.834
  268   1HA   GLY  33          2HA       GLY  33   5.588   7.180  -7.717
  269   2HA   GLY  33          1HA       GLY  33   6.171   8.591  -6.835
  270    H    THR  34           H        THR  34   6.420   6.301  -4.672
  271    HA   THR  34           HA       THR  34   9.283   6.039  -4.879
  272    HB   THR  34           HB       THR  34   7.770   5.973  -2.736
  273    HG1  THR  34          1HG       THR  34   9.521   5.222  -1.898
  274   1HG2  THR  34          1HG2      THR  34   7.500   3.016  -3.508
  275   2HG2  THR  34          2HG2      THR  34   6.160   4.143  -3.381
  276   3HG2  THR  34          3HG2      THR  34   7.076   3.691  -1.958
  277   1HN   ABA  35           HN       ABA  35   6.549   3.913  -5.554
  278    HA   ABA  35           HA       ABA  35   8.175   2.430  -7.505
  279   1HB   ABA  35          1HB       ABA  35   6.921   0.325  -6.575
  280   2HB   ABA  35          2HB       ABA  35   6.514   1.297  -5.181
  281   1HG   ABA  35          1HG       ABA  35   8.690  -0.139  -4.997
  282   2HG   ABA  35          2HG       ABA  35   8.748   1.527  -4.452
  283   3HG   ABA  35          3HG       ABA  35   9.429   1.095  -6.008
  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -3.881   9.958   6.604
    2   2H    ARG   1          2H        ARG   1  -2.841  10.420   5.353
    3   3H    ARG   1          3H        ARG   1  -4.485  10.646   5.185
    4    HA   ARG   1           HA       ARG   1  -4.265  12.735   6.010
    5   1HB   ARG   1          2HB       ARG   1  -3.266  11.123   8.428
    6   2HB   ARG   1          1HB       ARG   1  -3.127  12.863   8.429
    7   1HG   ARG   1          2HG       ARG   1  -5.778  12.662   7.713
    8   2HG   ARG   1          1HG       ARG   1  -5.590  11.156   8.577
    9   1HD   ARG   1          2HD       ARG   1  -6.179  12.583  10.326
   10   2HD   ARG   1          1HD       ARG   1  -4.433  12.661  10.445
   11    HE   ARG   1           HE       ARG   1  -4.593  14.824   9.064
   12   1HH1  ARG   1          2HH1      ARG   1  -7.365  14.720   8.372
   13   2HH1  ARG   1          1HH1      ARG   1  -8.177  15.698   9.535
   14   1HH2  ARG   1          2HH2      ARG   1  -5.359  15.517  11.713
   15   2HH2  ARG   1          1HH2      ARG   1  -6.925  16.211  11.573
   16    H    SER   2           H        SER   2  -1.277  11.489   7.457
   17    HA   SER   2           HA       SER   2   0.059  13.489   5.725
   18   1HB   SER   2          2HB       SER   2   1.184  12.082   8.248
   19   2HB   SER   2          1HB       SER   2   1.858  13.521   7.475
   20    HG   SER   2           HG       SER   2   0.569  14.549   8.843
   21   1HN   ABA   3           HN       ABA   3   2.610  12.092   6.110
   22    HA   ABA   3           HA       ABA   3   2.360  10.139   3.977
   23   1HB   ABA   3          1HB       ABA   3   4.260  11.640   4.102
   24   2HB   ABA   3          2HB       ABA   3   4.901  10.032   4.344
   25   1HG   ABA   3          1HG       ABA   3   4.828  12.349   6.211
   26   2HG   ABA   3          2HG       ABA   3   5.921  10.982   6.182
   27   3HG   ABA   3          3HG       ABA   3   4.364  10.824   6.961
   28    H    ILE   4           H        ILE   4   3.819   7.845   4.608
   29    HA   ILE   4           HA       ILE   4   2.580   6.879   7.073
   30    HB   ILE   4           HB       ILE   4   1.402   6.275   5.158
   31   1HG1  ILE   4          2HG1      ILE   4   1.999   4.441   6.781
   32   2HG1  ILE   4          1HG1      ILE   4   1.248   3.980   5.274
   33   1HG2  ILE   4          1HG2      ILE   4   2.592   6.768   3.236
   34   2HG2  ILE   4          2HG2      ILE   4   2.634   5.034   3.132
   35   3HG2  ILE   4          3HG2      ILE   4   4.038   5.927   3.680
   36   1HD1  ILE   4          1HD1      ILE   4   3.998   3.607   6.245
   37   2HD1  ILE   4          2HD1      ILE   4   3.849   3.831   4.506
   38   3HD1  ILE   4          3HD1      ILE   4   3.007   2.520   5.305
   39    H    ASP   5           H        ASP   5   4.845   5.221   4.992
   40    HA   ASP   5           HA       ASP   5   6.862   5.147   7.148
   41   1HB   ASP   5          2HB       ASP   5   5.903   2.954   7.003
   42   2HB   ASP   5          1HB       ASP   5   5.863   2.960   5.260
   43    H    THR   6           H        THR   6   7.461   3.657   4.198
   44    HA   THR   6           HA       THR   6   9.886   4.140   3.454
   45    HB   THR   6           HB       THR   6   8.802   3.049   1.701
   46    HG1  THR   6          1HG       THR   6   9.211   4.320   0.081
   47   1HG2  THR   6          1HG2      THR   6   6.503   3.155   2.384
   48   2HG2  THR   6          2HG2      THR   6   6.489   3.957   0.819
   49   3HG2  THR   6          3HG2      THR   6   6.468   4.907   2.296
   50    H    ILE   7           H        ILE   7   8.465   6.533   1.306
   51    HA   ILE   7           HA       ILE   7   9.830   8.692   2.826
   52    HB   ILE   7           HB       ILE   7  10.951   9.278   0.397
   53   1HG1  ILE   7          2HG1      ILE   7  11.946   7.153  -0.531
   54   2HG1  ILE   7          1HG1      ILE   7  10.822   6.227   0.439
   55   1HG2  ILE   7          1HG2      ILE   7  12.092   9.052   2.611
   56   2HG2  ILE   7          2HG2      ILE   7  13.048   8.410   1.287
   57   3HG2  ILE   7          3HG2      ILE   7  12.185   7.319   2.364
   58   1HD1  ILE   7          1HD1      ILE   7   8.951   6.954  -0.840
   59   2HD1  ILE   7          2HD1      ILE   7  10.201   6.857  -2.073
   60   3HD1  ILE   7          3HD1      ILE   7   9.760   8.414  -1.387
   61    HA   PRO   8           HA       PRO   8   6.615  10.042  -0.363
   62   1HB   PRO   8          2HB       PRO   8   4.147   9.982   0.853
   63   2HB   PRO   8          1HB       PRO   8   4.801   8.765  -0.241
   64   1HG   PRO   8          2HG       PRO   8   4.488   8.678   2.707
   65   2HG   PRO   8          1HG       PRO   8   4.662   7.329   1.582
   66   1HD   PRO   8          2HD       PRO   8   6.711   8.395   3.315
   67   2HD   PRO   8          1HD       PRO   8   6.874   7.152   2.067
   68    H    LYS   9           H        LYS   9   7.066  12.075  -0.286
   69    HA   LYS   9           HA       LYS   9   6.740  13.717   2.121
   70   1HB   LYS   9          2HB       LYS   9   8.593  13.841   0.205
   71   2HB   LYS   9          1HB       LYS   9   7.408  14.814  -0.648
   72   1HG   LYS   9          2HG       LYS   9   7.418  16.506   1.041
   73   2HG   LYS   9          1HG       LYS   9   8.195  15.455   2.208
   74   1HD   LYS   9          2HD       LYS   9  10.319  15.694   1.335
   75   2HD   LYS   9          1HD       LYS   9   9.781  15.915  -0.309
   76   1HE   LYS   9          2HE       LYS   9   9.610  18.004   1.919
   77   2HE   LYS   9          1HE       LYS   9  10.782  17.990   0.613
   78   1HZ   LYS   9          1HZ       LYS   9   9.330  19.046  -0.674
   79   2HZ   LYS   9          2HZ       LYS   9   8.189  19.067   0.577
   80   3HZ   LYS   9          3HZ       LYS   9   8.221  17.771  -0.516
   81    H    SER  10           H        SER  10   4.362  12.760   1.619
   82    HA   SER  10           HA       SER  10   2.778  15.137   1.025
   83   1HB   SER  10          2HB       SER  10   3.208  13.948  -1.249
   84   2HB   SER  10          1HB       SER  10   2.176  12.636  -0.663
   85    HG   SER  10           HG       SER  10   1.318  14.819  -1.716
   86    H    ARG  11           H        ARG  11   0.531  13.156   0.468
   87    HA   ARG  11           HA       ARG  11  -0.031  12.280   3.226
   88   1HB   ARG  11          2HB       ARG  11  -2.450  12.797   2.544
   89   2HB   ARG  11          1HB       ARG  11  -1.487  14.184   2.943
   90   1HG   ARG  11          2HG       ARG  11  -1.366  13.426   0.042
   91   2HG   ARG  11          1HG       ARG  11  -2.994  13.688   0.596
   92   1HD   ARG  11          2HD       ARG  11  -2.057  15.769  -0.323
   93   2HD   ARG  11          1HD       ARG  11  -2.418  15.980   1.384
   94    HE   ARG  11           HE       ARG  11   0.350  15.280   0.443
   95   1HH1  ARG  11          1HH2      ARG  11  -0.674  15.790   3.302
   96   2HH1  ARG  11          2HH2      ARG  11  -0.031  17.346   3.655
   97   1HH2  ARG  11          2HH1      ARG  11   0.661  17.865   0.205
   98   2HH2  ARG  11          1HH1      ARG  11   0.798  18.638   1.737
   99    H    CYS  12           H        CYS  12   1.171  10.700   1.265
  100    HA   CYS  12           HA       CYS  12  -1.003   9.010   0.214
  101   1HB   CYS  12          2HB       CYS  12   0.557   8.027  -1.208
  102   2HB   CYS  12          1HB       CYS  12   1.221   9.623  -1.130
  103    H    THR  13           H        THR  13  -1.321   6.979   1.134
  104    HA   THR  13           HA       THR  13   0.586   5.963   3.052
  105    HB   THR  13           HB       THR  13  -0.723   6.286   4.929
  106    HG1  THR  13          1HG       THR  13  -3.218   6.494   4.310
  107   1HG2  THR  13          1HG2      THR  13  -0.766   8.626   4.188
  108   2HG2  THR  13          2HG2      THR  13  -2.361   8.230   4.823
  109   3HG2  THR  13          3HG2      THR  13  -2.087   8.304   3.090
  110    H    ALA  14           H        ALA  14   0.000   3.756   3.600
  111    HA   ALA  14           HA       ALA  14  -1.144   2.524   1.237
  112   1HB   ALA  14          1HB       ALA  14   0.505   1.656   3.504
  113   2HB   ALA  14          2HB       ALA  14   0.137   0.769   2.034
  114   3HB   ALA  14          3HB       ALA  14  -0.899   0.606   3.442
  115    H    PHE  15           H        PHE  15  -2.451   4.151   3.759
  116    HA   PHE  15           HA       PHE  15  -4.808   2.506   4.212
  117   1HB   PHE  15          2HB       PHE  15  -4.499   5.249   5.314
  118   2HB   PHE  15          1HB       PHE  15  -5.097   3.781   6.044
  119    HD1  PHE  15          1HD       PHE  15  -2.718   6.024   6.663
  120    HD2  PHE  15          2HD       PHE  15  -2.968   1.860   5.813
  121    HE1  PHE  15          1HE       PHE  15  -0.596   5.687   7.762
  122    HE2  PHE  15          2HE       PHE  15  -0.851   1.497   6.908
  123    HZ   PHE  15           HZ       PHE  15   0.378   3.401   7.926
  124    H    GLN  16           H        GLN  16  -3.572   4.480   1.949
  125    HA   GLN  16           HA       GLN  16  -6.223   5.173   0.911
  126   1HB   GLN  16          2HB       GLN  16  -4.591   7.471   0.432
  127   2HB   GLN  16          1HB       GLN  16  -6.176   7.341   1.172
  128   1HG   GLN  16          2HG       GLN  16  -5.073   6.772   3.345
  129   2HG   GLN  16          1HG       GLN  16  -3.536   6.934   2.481
  130   1HE2  GLN  16          1HE2      GLN  16  -5.015   9.124   0.884
  131   2HE2  GLN  16          2HE2      GLN  16  -4.842  10.517   1.832
  132    H    CYS  17           H        CYS  17  -2.856   5.960   0.226
  133    HA   CYS  17           HA       CYS  17  -2.686   6.386  -2.407
  134   1HB   CYS  17          2HB       CYS  17  -0.668   5.527  -0.660
  135   2HB   CYS  17          1HB       CYS  17  -0.891   4.106  -1.561
  136    H    LYS  18           H        LYS  18  -2.783   3.294  -1.064
  137    HA   LYS  18           HA       LYS  18  -4.468   2.201  -3.143
  138   1HB   LYS  18          2HB       LYS  18  -2.336   2.462  -4.353
  139   2HB   LYS  18          1HB       LYS  18  -1.490   1.533  -3.153
  140   1HG   LYS  18          2HG       LYS  18  -1.915   0.072  -5.078
  141   2HG   LYS  18          1HG       LYS  18  -2.895  -0.468  -3.745
  142   1HD   LYS  18          2HD       LYS  18  -4.389   1.563  -5.207
  143   2HD   LYS  18          1HD       LYS  18  -3.778   0.414  -6.366
  144   1HE   LYS  18          2HE       LYS  18  -5.135  -1.306  -5.655
  145   2HE   LYS  18          1HE       LYS  18  -4.940  -0.915  -3.960
  146   1HZ   LYS  18          1HZ       LYS  18  -6.435   1.164  -5.117
  147   2HZ   LYS  18          2HZ       LYS  18  -6.930   0.011  -3.972
  148   3HZ   LYS  18          3HZ       LYS  18  -7.108  -0.314  -5.609
  149    H    HIS  19           H        HIS  19  -5.452   1.742  -0.995
  150    HA   HIS  19           HA       HIS  19  -4.733   0.312   1.092
  151   1HB   HIS  19          2HB       HIS  19  -7.182  -0.080  -0.669
  152   2HB   HIS  19          1HB       HIS  19  -7.035  -0.776   0.934
  153    HD1  HIS  19          1HD       HIS  19  -7.205   0.841   2.920
  154    HD2  HIS  19          2HD       HIS  19  -7.377   2.708  -0.805
  155    HE1  HIS  19          1HE       HIS  19  -7.903   3.195   3.207
  156    H    SER  20           H        SER  20  -6.174  -1.845  -1.364
  157    HA   SER  20           HA       SER  20  -4.834  -4.080  -0.300
  158   1HB   SER  20          2HB       SER  20  -5.905  -4.491  -3.052
  159   2HB   SER  20          1HB       SER  20  -6.492  -5.146  -1.525
  160    HG   SER  20           HG       SER  20  -8.060  -3.765  -1.952
  161    H    ALA  21           H        ALA  21  -2.689  -2.375  -1.093
  162    HA   ALA  21           HA       ALA  21  -1.318  -4.401  -2.717
  163   1HB   ALA  21          1HB       ALA  21  -0.583  -2.880  -4.360
  164   2HB   ALA  21          2HB       ALA  21  -0.980  -1.466  -3.386
  165   3HB   ALA  21          3HB       ALA  21  -2.267  -2.424  -4.152
  166    H    LYS  22           H        LYS  22  -1.479  -2.610   0.007
  167    HA   LYS  22           HA       LYS  22   1.207  -1.660   0.131
  168   1HB   LYS  22          2HB       LYS  22   0.899  -1.759   2.658
  169   2HB   LYS  22          1HB       LYS  22  -0.537  -1.105   1.880
  170   1HG   LYS  22          2HG       LYS  22  -1.641  -3.316   1.995
  171   2HG   LYS  22          1HG       LYS  22  -0.220  -3.976   2.815
  172   1HD   LYS  22          2HD       LYS  22  -0.578  -2.789   4.770
  173   2HD   LYS  22          1HD       LYS  22  -1.434  -1.487   3.983
  174   1HE   LYS  22          2HE       LYS  22  -3.165  -2.616   5.131
  175   2HE   LYS  22          1HE       LYS  22  -3.320  -3.198   3.480
  176   1HZ   LYS  22          1HZ       LYS  22  -1.469  -4.833   4.884
  177   2HZ   LYS  22          2HZ       LYS  22  -2.968  -5.269   4.222
  178   3HZ   LYS  22          3HZ       LYS  22  -2.864  -4.693   5.811
  179    H    TYR  23           H        TYR  23  -0.102  -4.767   0.550
  180    HA   TYR  23           HA       TYR  23   2.384  -5.963   1.545
  181   1HB   TYR  23          2HB       TYR  23   0.992  -8.126   1.048
  182   2HB   TYR  23          1HB       TYR  23   0.430  -7.050   2.305
  183    HD1  TYR  23          1HD       TYR  23  -0.318  -8.368  -1.054
  184    HD2  TYR  23          2HD       TYR  23  -1.531  -5.587   1.939
  185    HE1  TYR  23          1HE       TYR  23  -2.512  -8.157  -2.115
  186    HE2  TYR  23          2HE       TYR  23  -3.706  -5.386   0.874
  187    HH   TYR  23           HH       TYR  23  -4.295  -6.304  -2.201
  188    H    ARG  24           H        ARG  24   1.494  -4.753  -1.296
  189    HA   ARG  24           HA       ARG  24   3.076  -6.632  -2.907
  190   1HB   ARG  24          2HB       ARG  24   0.780  -4.841  -3.451
  191   2HB   ARG  24          1HB       ARG  24   1.872  -5.306  -4.747
  192   1HG   ARG  24          2HG       ARG  24   1.377  -7.624  -4.517
  193   2HG   ARG  24          1HG       ARG  24   0.832  -7.452  -2.873
  194   1HD   ARG  24          2HD       ARG  24  -0.860  -7.771  -4.944
  195   2HD   ARG  24          1HD       ARG  24  -1.277  -6.896  -3.468
  196    HE   ARG  24           HE       ARG  24  -1.191  -4.852  -4.647
  197   1HH1  ARG  24          2HH1      ARG  24  -2.143  -6.819  -6.797
  198   2HH1  ARG  24          1HH1      ARG  24  -1.231  -6.326  -8.166
  199   1HH2  ARG  24          1HH2      ARG  24   0.966  -4.425  -6.086
  200   2HH2  ARG  24          2HH2      ARG  24   0.699  -4.855  -7.727
  201    H    LEU  25           H        LEU  25   2.676  -3.081  -2.520
  202    HA   LEU  25           HA       LEU  25   5.145  -2.778  -4.103
  203   1HB   LEU  25          2HB       LEU  25   4.415  -0.258  -2.893
  204   2HB   LEU  25          1HB       LEU  25   4.392  -0.791  -4.538
  205    HG   LEU  25           HG       LEU  25   2.269   0.020  -4.265
  206   1HD1  LEU  25          1HD1      LEU  25   1.482  -2.790  -3.948
  207   2HD1  LEU  25          2HD1      LEU  25   2.533  -2.352  -5.278
  208   3HD1  LEU  25          3HD1      LEU  25   0.980  -1.549  -5.067
  209   1HD2  LEU  25          1HD2      LEU  25   2.286   0.273  -1.933
  210   2HD2  LEU  25          2HD2      LEU  25   2.243  -1.461  -1.685
  211   3HD2  LEU  25          3HD2      LEU  25   0.849  -0.649  -2.370
  212    H    SER  26           H        SER  26   3.857  -1.589  -1.109
  213    HA   SER  26           HA       SER  26   5.499  -2.888   0.761
  214   1HB   SER  26          2HB       SER  26   6.718  -0.308  -0.347
  215   2HB   SER  26          1HB       SER  26   6.861  -0.642   1.385
  216    HG   SER  26           HG       SER  26   7.537  -2.442  -0.715
  217    H    PHE  27           H        PHE  27   4.299   0.284  -0.040
  218    HA   PHE  27           HA       PHE  27   2.203   0.190   1.951
  219   1HB   PHE  27          2HB       PHE  27   4.540   2.085   2.267
  220   2HB   PHE  27          1HB       PHE  27   2.976   2.347   2.982
  221    HD1  PHE  27          1HD       PHE  27   2.072   0.043   4.281
  222    HD2  PHE  27          2HD       PHE  27   6.152   1.128   3.606
  223    HE1  PHE  27          1HE       PHE  27   2.765  -1.393   6.105
  224    HE2  PHE  27          2HE       PHE  27   6.840  -0.298   5.422
  225    HZ   PHE  27           HZ       PHE  27   5.162  -1.582   6.711
  226    H    CYS  28           H        CYS  28   4.161   2.585   0.339
  227    HA   CYS  28           HA       CYS  28   1.809   3.884  -0.911
  228   1HB   CYS  28          2HB       CYS  28   4.261   4.776   0.354
  229   2HB   CYS  28          1HB       CYS  28   3.924   5.671  -1.035
  230    H    ARG  29           H        ARG  29   1.796   4.131  -2.905
  231    HA   ARG  29           HA       ARG  29   3.983   4.004  -4.822
  232   1HB   ARG  29          2HB       ARG  29   3.250   1.619  -4.075
  233   2HB   ARG  29          1HB       ARG  29   2.076   1.785  -5.357
  234   1HG   ARG  29          2HG       ARG  29   5.102   2.159  -5.584
  235   2HG   ARG  29          1HG       ARG  29   4.284   0.700  -6.041
  236   1HD   ARG  29          2HD       ARG  29   4.286   3.357  -7.436
  237   2HD   ARG  29          1HD       ARG  29   4.509   1.736  -8.060
  238    HE   ARG  29           HE       ARG  29   1.838   2.655  -7.185
  239   1HH1  ARG  29          1HH2      ARG  29   3.163   2.889  -9.911
  240   2HH1  ARG  29          2HH2      ARG  29   2.504   1.579 -10.818
  241   1HH2  ARG  29          2HH1      ARG  29   1.275   0.134  -7.789
  242   2HH2  ARG  29          1HH1      ARG  29   1.353  -0.128  -9.490
  243    H    LYS  30           H        LYS  30   0.458   3.509  -4.800
  244    HA   LYS  30           HA       LYS  30   0.161   4.508  -7.506
  245   1HB   LYS  30          2HB       LYS  30  -1.540   3.087  -6.403
  246   2HB   LYS  30          1HB       LYS  30  -1.685   4.260  -5.132
  247   1HG   LYS  30          2HG       LYS  30  -3.343   5.291  -6.203
  248   2HG   LYS  30          1HG       LYS  30  -2.266   5.723  -7.505
  249   1HD   LYS  30          2HD       LYS  30  -2.789   3.061  -8.125
  250   2HD   LYS  30          1HD       LYS  30  -4.257   3.505  -7.274
  251   1HE   LYS  30          2HE       LYS  30  -4.600   3.985  -9.654
  252   2HE   LYS  30          1HE       LYS  30  -4.537   5.507  -8.780
  253   1HZ   LYS  30          1HZ       LYS  30  -1.910   4.733  -9.530
  254   2HZ   LYS  30          2HZ       LYS  30  -2.767   6.119 -10.000
  255   3HZ   LYS  30          3HZ       LYS  30  -2.925   4.696 -10.900
  256    H    THR  31           H        THR  31  -1.386   6.190  -4.779
  257    HA   THR  31           HA       THR  31  -1.170   8.791  -5.854
  258    HB   THR  31           HB       THR  31  -1.313   7.860  -2.994
  259    HG1  THR  31          1HG       THR  31  -3.678   8.177  -4.330
  260   1HG2  THR  31          1HG2      THR  31  -2.718  10.219  -4.473
  261   2HG2  THR  31          2HG2      THR  31  -1.430  10.410  -3.293
  262   3HG2  THR  31          3HG2      THR  31  -2.994   9.804  -2.781
  263    H    CYS  32           H        CYS  32   1.070   6.849  -4.613
  264    HA   CYS  32           HA       CYS  32   2.975   8.798  -3.565
  265   1HB   CYS  32          2HB       CYS  32   3.407   5.875  -3.843
  266   2HB   CYS  32          1HB       CYS  32   4.020   6.985  -2.676
  267    H    GLY  33           H        GLY  33   2.634   6.832  -6.419
  268   1HA   GLY  33          2HA       GLY  33   4.011   6.572  -8.280
  269   2HA   GLY  33          1HA       GLY  33   4.396   8.277  -8.023
  270    H    THR  34           H        THR  34   5.186   6.004  -5.523
  271    HA   THR  34           HA       THR  34   7.983   6.605  -5.670
  272    HB   THR  34           HB       THR  34   7.845   4.832  -3.664
  273    HG1  THR  34          1HG       THR  34   5.697   4.305  -3.250
  274   1HG2  THR  34          1HG2      THR  34   6.098   6.496  -2.501
  275   2HG2  THR  34          2HG2      THR  34   6.467   7.501  -3.897
  276   3HG2  THR  34          3HG2      THR  34   7.751   7.013  -2.793
  277   1HN   ABA  35           HN       ABA  35   6.546   3.570  -5.287
  278    HA   ABA  35           HA       ABA  35   8.740   2.301  -6.941
  279   1HB   ABA  35          1HB       ABA  35   7.086   0.530  -5.173
  280   2HB   ABA  35          2HB       ABA  35   8.010   1.762  -4.337
  281   1HG   ABA  35          1HG       ABA  35  10.096   0.981  -5.418
  282   2HG   ABA  35          2HG       ABA  35   9.176  -0.201  -6.343
  283   3HG   ABA  35          3HG       ABA  35   9.305  -0.361  -4.596
  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1  -4.686  10.036   9.078
    2   2H    ARG   1          2H        ARG   1  -3.161  10.206   8.371
    3   3H    ARG   1          3H        ARG   1  -3.874   8.665   8.496
    4    HA   ARG   1           HA       ARG   1  -4.803   8.924   6.477
    5   1HB   ARG   1          2HB       ARG   1  -5.996  11.489   7.635
    6   2HB   ARG   1          1HB       ARG   1  -6.485  10.679   6.168
    7   1HG   ARG   1          2HG       ARG   1  -6.878   8.549   7.721
    8   2HG   ARG   1          1HG       ARG   1  -6.814   9.683   9.054
    9   1HD   ARG   1          2HD       ARG   1  -9.146   9.090   8.089
   10   2HD   ARG   1          1HD       ARG   1  -8.798  10.783   8.407
   11    HE   ARG   1           HE       ARG   1  -8.374   9.659   5.656
   12   1HH1  ARG   1          2HH2      ARG   1 -11.139  10.147   6.062
   13   2HH1  ARG   1          1HH2      ARG   1 -11.417  11.798   5.656
   14   1HH2  ARG   1          2HH1      ARG   1  -7.924  12.475   5.963
   15   2HH2  ARG   1          1HH1      ARG   1  -9.421  13.230   5.587
   16    H    SER   2           H        SER   2  -2.259   9.481   6.355
   17    HA   SER   2           HA       SER   2  -1.894  11.150   4.176
   18   1HB   SER   2          2HB       SER   2  -2.182  13.145   5.683
   19   2HB   SER   2          1HB       SER   2  -1.110  12.421   6.891
   20    HG   SER   2           HG       SER   2  -0.392  13.689   4.455
   21   1HN   ABA   3           HN       ABA   3   0.707  11.671   4.413
   22    HA   ABA   3           HA       ABA   3   2.171   9.549   3.776
   23   1HB   ABA   3          1HB       ABA   3   3.018  11.801   3.733
   24   2HB   ABA   3          2HB       ABA   3   4.172  10.784   4.559
   25   1HG   ABA   3          1HG       ABA   3   3.437  13.132   5.602
   26   2HG   ABA   3          2HG       ABA   3   3.763  11.748   6.639
   27   3HG   ABA   3          3HG       ABA   3   2.110  12.182   6.244
   28    H    ILE   4           H        ILE   4   3.609   7.975   4.762
   29    HA   ILE   4           HA       ILE   4   3.161   7.479   7.661
   30    HB   ILE   4           HB       ILE   4   2.106   5.706   6.854
   31   1HG1  ILE   4          2HG1      ILE   4   4.638   4.713   7.399
   32   2HG1  ILE   4          1HG1      ILE   4   3.232   3.742   7.132
   33   1HG2  ILE   4          1HG2      ILE   4   3.359   5.991   4.130
   34   2HG2  ILE   4          2HG2      ILE   4   1.760   6.465   4.661
   35   3HG2  ILE   4          3HG2      ILE   4   2.165   4.767   4.533
   36   1HD1  ILE   4          1HD1      ILE   4   5.386   3.243   5.742
   37   2HD1  ILE   4          2HD1      ILE   4   4.852   4.541   4.698
   38   3HD1  ILE   4          3HD1      ILE   4   3.820   3.164   4.957
   39    H    ASP   5           H        ASP   5   5.489   5.819   5.588
   40    HA   ASP   5           HA       ASP   5   7.669   6.876   7.275
   41   1HB   ASP   5          2HB       ASP   5   7.290   4.576   7.847
   42   2HB   ASP   5          1HB       ASP   5   7.220   4.068   6.180
   43    H    THR   6           H        THR   6   8.531   4.755   4.722
   44    HA   THR   6           HA       THR   6  10.388   6.617   3.634
   45    HB   THR   6           HB       THR   6  10.211   4.535   1.738
   46    HG1  THR   6          1HG       THR   6   9.743   3.287   4.202
   47   1HG2  THR   6          1HG2      THR   6  11.549   4.497   4.508
   48   2HG2  THR   6          2HG2      THR   6  12.317   4.952   2.992
   49   3HG2  THR   6          3HG2      THR   6  11.840   3.286   3.264
   50    H    ILE   7           H        ILE   7   7.127   6.263   2.897
   51    HA   ILE   7           HA       ILE   7   7.077   6.814   0.152
   52    HB   ILE   7           HB       ILE   7   4.776   7.099   0.507
   53   1HG1  ILE   7          2HG1      ILE   7   4.757   9.144   1.878
   54   2HG1  ILE   7          1HG1      ILE   7   3.719   7.948   2.593
   55   1HG2  ILE   7          1HG2      ILE   7   4.092   5.400   1.975
   56   2HG2  ILE   7          2HG2      ILE   7   5.393   5.688   3.099
   57   3HG2  ILE   7          3HG2      ILE   7   5.737   4.954   1.547
   58   1HD1  ILE   7          1HD1      ILE   7   6.610   8.484   3.491
   59   2HD1  ILE   7          2HD1      ILE   7   5.514   7.366   4.243
   60   3HD1  ILE   7          3HD1      ILE   7   5.213   9.079   4.315
   61    HA   PRO   8           HA       PRO   8   7.888  11.201  -0.403
   62   1HB   PRO   8          2HB       PRO   8   5.521  11.965  -1.787
   63   2HB   PRO   8          1HB       PRO   8   7.020  11.443  -2.539
   64   1HG   PRO   8          2HG       PRO   8   4.533   9.901  -1.920
   65   2HG   PRO   8          1HG       PRO   8   5.674   9.691  -3.255
   66   1HD   PRO   8          2HD       PRO   8   5.555   7.995  -1.137
   67   2HD   PRO   8          1HD       PRO   8   7.090   8.313  -1.961
   68    H    LYS   9           H        LYS   9   7.593  11.437   1.823
   69    HA   LYS   9           HA       LYS   9   5.602  11.834   3.551
   70   1HB   LYS   9          2HB       LYS   9   8.116  12.420   3.781
   71   2HB   LYS   9          1HB       LYS   9   7.665  14.037   3.287
   72   1HG   LYS   9          2HG       LYS   9   5.831  13.148   5.376
   73   2HG   LYS   9          1HG       LYS   9   7.469  12.817   5.897
   74   1HD   LYS   9          2HD       LYS   9   8.070  15.248   5.384
   75   2HD   LYS   9          1HD       LYS   9   6.419  15.508   4.861
   76   1HE   LYS   9          2HE       LYS   9   6.628  16.306   7.157
   77   2HE   LYS   9          1HE       LYS   9   5.575  14.896   7.131
   78   1HZ   LYS   9          1HZ       LYS   9   6.971  13.844   8.503
   79   2HZ   LYS   9          2HZ       LYS   9   7.920  15.248   8.604
   80   3HZ   LYS   9          3HZ       LYS   9   8.273  14.067   7.444
   81    H    SER  10           H        SER  10   3.809  12.407   1.912
   82    HA   SER  10           HA       SER  10   3.010  15.216   2.385
   83   1HB   SER  10          2HB       SER  10   3.354  13.983  -0.391
   84   2HB   SER  10          1HB       SER  10   2.378  15.437  -0.106
   85    HG   SER  10           HG       SER  10   4.832  15.433   1.153
   86    H    ARG  11           H        ARG  11   1.505  13.168   0.040
   87    HA   ARG  11           HA       ARG  11  -0.746  12.634   1.846
   88   1HB   ARG  11          2HB       ARG  11  -2.165  13.285  -0.200
   89   2HB   ARG  11          1HB       ARG  11  -1.468  14.584   0.750
   90   1HG   ARG  11          2HG       ARG  11   0.502  14.279  -1.188
   91   2HG   ARG  11          1HG       ARG  11  -0.846  13.599  -2.052
   92   1HD   ARG  11          2HD       ARG  11  -0.381  16.097  -2.427
   93   2HD   ARG  11          1HD       ARG  11  -2.043  15.651  -2.078
   94    HE   ARG  11           HE       ARG  11  -0.319  16.515   0.210
   95   1HH1  ARG  11          2HH1      ARG  11  -0.915  18.765  -1.491
   96   2HH1  ARG  11          1HH1      ARG  11  -2.386  19.418  -0.877
   97   1HH2  ARG  11          1HH2      ARG  11  -3.028  16.350   0.819
   98   2HH2  ARG  11          2HH2      ARG  11  -3.709  17.913   0.562
   99    H    CYS  12           H        CYS  12   1.122  10.611   1.090
  100    HA   CYS  12           HA       CYS  12  -0.699   8.917  -0.503
  101   1HB   CYS  12          2HB       CYS  12   1.064   8.160  -1.846
  102   2HB   CYS  12          1HB       CYS  12   1.668   9.737  -1.585
  103    H    THR  13           H        THR  13  -1.013   6.952   0.597
  104    HA   THR  13           HA       THR  13   0.793   6.072   2.649
  105    HB   THR  13           HB       THR  13  -0.352   6.877   4.463
  106    HG1  THR  13          1HG       THR  13  -2.589   5.747   3.108
  107   1HG2  THR  13          1HG2      THR  13  -2.165   8.217   2.422
  108   2HG2  THR  13          2HG2      THR  13  -0.826   8.914   3.294
  109   3HG2  THR  13          3HG2      THR  13  -2.290   8.469   4.164
  110    H    ALA  14           H        ALA  14   0.528   3.798   2.902
  111    HA   ALA  14           HA       ALA  14  -1.057   2.466   0.956
  112   1HB   ALA  14          1HB       ALA  14   0.400   1.640   3.444
  113   2HB   ALA  14          2HB       ALA  14   0.337   0.842   1.872
  114   3HB   ALA  14          3HB       ALA  14  -0.956   0.610   3.030
  115    H    PHE  15           H        PHE  15  -2.070   4.147   3.799
  116    HA   PHE  15           HA       PHE  15  -4.481   2.635   4.285
  117   1HB   PHE  15          2HB       PHE  15  -4.196   5.406   5.240
  118   2HB   PHE  15          1HB       PHE  15  -4.693   3.959   6.075
  119    HD1  PHE  15          1HD       PHE  15  -2.446   2.131   5.775
  120    HD2  PHE  15          2HD       PHE  15  -2.445   6.331   6.405
  121    HE1  PHE  15          1HE       PHE  15  -0.220   1.977   6.706
  122    HE2  PHE  15          2HE       PHE  15  -0.236   6.229   7.337
  123    HZ   PHE  15           HZ       PHE  15   0.934   4.025   7.531
  124    H    GLN  16           H        GLN  16  -3.624   4.451   1.825
  125    HA   GLN  16           HA       GLN  16  -6.340   5.112   0.997
  126   1HB   GLN  16          2HB       GLN  16  -4.652   7.492   0.517
  127   2HB   GLN  16          1HB       GLN  16  -6.292   7.345   1.124
  128   1HG   GLN  16          2HG       GLN  16  -5.330   6.736   3.370
  129   2HG   GLN  16          1HG       GLN  16  -3.757   7.088   2.718
  130   1HE2  GLN  16          1HE2      GLN  16  -5.693   9.191   1.194
  131   2HE2  GLN  16          2HE2      GLN  16  -5.644  10.511   2.273
  132    H    CYS  17           H        CYS  17  -3.055   5.976   0.248
  133    HA   CYS  17           HA       CYS  17  -2.984   6.253  -2.437
  134   1HB   CYS  17          2HB       CYS  17  -0.918   5.556  -0.514
  135   2HB   CYS  17          1HB       CYS  17  -0.789   4.457  -1.820
  136    H    LYS  18           H        LYS  18  -2.899   3.269  -0.809
  137    HA   LYS  18           HA       LYS  18  -4.295   1.871  -2.861
  138   1HB   LYS  18          2HB       LYS  18  -1.788   2.275  -3.762
  139   2HB   LYS  18          1HB       LYS  18  -1.381   0.957  -2.697
  140   1HG   LYS  18          2HG       LYS  18  -1.875   0.012  -4.887
  141   2HG   LYS  18          1HG       LYS  18  -3.173  -0.423  -3.800
  142   1HD   LYS  18          2HD       LYS  18  -4.742   0.614  -5.153
  143   2HD   LYS  18          1HD       LYS  18  -3.956   2.142  -4.876
  144   1HE   LYS  18          2HE       LYS  18  -3.737   2.123  -7.087
  145   2HE   LYS  18          1HE       LYS  18  -2.215   1.350  -6.635
  146   1HZ   LYS  18          1HZ       LYS  18  -4.243  -0.621  -6.840
  147   2HZ   LYS  18          2HZ       LYS  18  -2.812  -0.480  -7.753
  148   3HZ   LYS  18          3HZ       LYS  18  -4.246   0.297  -8.246
  149    H    HIS  19           H        HIS  19  -5.316   1.590  -0.734
  150    HA   HIS  19           HA       HIS  19  -4.724   0.294   1.468
  151   1HB   HIS  19          2HB       HIS  19  -7.041  -0.118  -0.425
  152   2HB   HIS  19          1HB       HIS  19  -7.006  -0.890   1.145
  153    HD1  HIS  19          1HD       HIS  19  -6.957   0.665   3.204
  154    HD2  HIS  19          2HD       HIS  19  -7.476   2.599  -0.444
  155    HE1  HIS  19          1HE       HIS  19  -7.720   2.990   3.623
  156    H    SER  20           H        SER  20  -6.249  -2.115  -0.534
  157    HA   SER  20           HA       SER  20  -4.666  -4.190   0.604
  158   1HB   SER  20          2HB       SER  20  -6.313  -5.063  -1.652
  159   2HB   SER  20          1HB       SER  20  -6.532  -5.359   0.072
  160    HG   SER  20           HG       SER  20  -8.216  -4.047  -0.344
  161    H    ALA  21           H        ALA  21  -2.774  -2.877  -0.447
  162    HA   ALA  21           HA       ALA  21  -1.513  -4.522  -2.470
  163   1HB   ALA  21          1HB       ALA  21  -1.126  -2.808  -4.026
  164   2HB   ALA  21          2HB       ALA  21  -1.622  -1.563  -2.884
  165   3HB   ALA  21          3HB       ALA  21  -2.840  -2.605  -3.632
  166    H    LYS  22           H        LYS  22  -1.480  -2.527   0.287
  167    HA   LYS  22           HA       LYS  22   1.153  -1.524   0.171
  168   1HB   LYS  22          2HB       LYS  22   1.079  -1.459   2.575
  169   2HB   LYS  22          1HB       LYS  22  -0.510  -1.085   1.924
  170   1HG   LYS  22          2HG       LYS  22  -1.300  -3.352   2.375
  171   2HG   LYS  22          1HG       LYS  22   0.281  -3.788   3.040
  172   1HD   LYS  22          2HD       LYS  22   0.072  -2.510   4.891
  173   2HD   LYS  22          1HD       LYS  22  -0.957  -1.310   4.146
  174   1HE   LYS  22          2HE       LYS  22  -2.444  -3.800   4.153
  175   2HE   LYS  22          1HE       LYS  22  -1.700  -3.679   5.729
  176   1HZ   LYS  22          1HZ       LYS  22  -3.983  -2.343   4.766
  177   2HZ   LYS  22          2HZ       LYS  22  -2.830  -1.164   5.154
  178   3HZ   LYS  22          3HZ       LYS  22  -3.306  -2.302   6.311
  179    H    TYR  23           H        TYR  23   0.084  -4.781   0.404
  180    HA   TYR  23           HA       TYR  23   2.746  -5.789   1.228
  181   1HB   TYR  23          2HB       TYR  23   1.487  -7.993   1.268
  182   2HB   TYR  23          1HB       TYR  23   0.862  -6.777   2.358
  183    HD1  TYR  23          1HD       TYR  23   0.175  -8.739  -0.630
  184    HD2  TYR  23          2HD       TYR  23  -1.279  -5.559   1.802
  185    HE1  TYR  23          1HE       TYR  23  -2.025  -8.972  -1.643
  186    HE2  TYR  23          2HE       TYR  23  -3.465  -5.787   0.783
  187    HH   TYR  23           HH       TYR  23  -4.490  -8.376  -0.916
  188    H    ARG  24           H        ARG  24   1.573  -4.711  -1.437
  189    HA   ARG  24           HA       ARG  24   2.807  -6.665  -3.269
  190   1HB   ARG  24          2HB       ARG  24   0.402  -5.044  -3.495
  191   2HB   ARG  24          1HB       ARG  24   1.537  -4.483  -4.702
  192   1HG   ARG  24          2HG       ARG  24   0.977  -6.197  -6.054
  193   2HG   ARG  24          1HG       ARG  24   1.686  -7.298  -4.907
  194   1HD   ARG  24          2HD       ARG  24  -0.672  -7.903  -5.248
  195   2HD   ARG  24          1HD       ARG  24  -0.341  -7.323  -3.608
  196    HE   ARG  24           HE       ARG  24  -1.128  -5.186  -5.431
  197   1HH1  ARG  24          1HH2      ARG  24  -1.992  -7.210  -2.813
  198   2HH1  ARG  24          2HH2      ARG  24  -3.595  -6.622  -2.662
  199   1HH2  ARG  24          2HH1      ARG  24  -3.455  -4.741  -5.626
  200   2HH2  ARG  24          1HH1      ARG  24  -4.385  -5.182  -4.242
  201    H    LEU  25           H        LEU  25   2.547  -3.178  -2.557
  202    HA   LEU  25           HA       LEU  25   5.078  -2.791  -4.047
  203   1HB   LEU  25          2HB       LEU  25   4.351  -0.347  -2.758
  204   2HB   LEU  25          1HB       LEU  25   4.265  -0.770  -4.418
  205    HG   LEU  25           HG       LEU  25   2.205   0.171  -3.870
  206   1HD1  LEU  25          1HD1      LEU  25   2.348  -2.319  -5.118
  207   2HD1  LEU  25          2HD1      LEU  25   0.939  -1.270  -5.076
  208   3HD1  LEU  25          3HD1      LEU  25   1.100  -2.551  -3.909
  209   1HD2  LEU  25          1HD2      LEU  25   2.152   0.018  -1.588
  210   2HD2  LEU  25          2HD2      LEU  25   2.227  -1.739  -1.598
  211   3HD2  LEU  25          3HD2      LEU  25   0.770  -0.921  -2.146
  212    H    SER  26           H        SER  26   3.891  -1.486  -1.035
  213    HA   SER  26           HA       SER  26   5.398  -2.982   0.833
  214   1HB   SER  26          2HB       SER  26   6.914  -0.643  -0.401
  215   2HB   SER  26          1HB       SER  26   7.042  -0.845   1.347
  216    HG   SER  26           HG       SER  26   7.499  -2.819  -0.633
  217    H    PHE  27           H        PHE  27   4.422   0.149  -0.136
  218    HA   PHE  27           HA       PHE  27   2.531   0.439   2.012
  219   1HB   PHE  27          2HB       PHE  27   5.036   2.131   1.991
  220   2HB   PHE  27          1HB       PHE  27   3.552   2.592   2.776
  221    HD1  PHE  27          1HD       PHE  27   2.548   0.694   4.401
  222    HD2  PHE  27          2HD       PHE  27   6.653   1.029   3.280
  223    HE1  PHE  27          1HE       PHE  27   3.186  -0.621   6.351
  224    HE2  PHE  27          2HE       PHE  27   7.287  -0.278   5.217
  225    HZ   PHE  27           HZ       PHE  27   5.577  -1.111   6.788
  226    H    CYS  28           H        CYS  28   4.488   2.519  -0.100
  227    HA   CYS  28           HA       CYS  28   1.974   3.677  -1.193
  228   1HB   CYS  28          2HB       CYS  28   4.248   4.809  -0.049
  229   2HB   CYS  28          1HB       CYS  28   3.923   5.618  -1.469
  230    H    ARG  29           H        ARG  29   1.717   3.628  -3.079
  231    HA   ARG  29           HA       ARG  29   3.840   4.010  -5.051
  232   1HB   ARG  29          2HB       ARG  29   3.374   1.537  -4.889
  233   2HB   ARG  29          1HB       ARG  29   1.802   1.808  -5.621
  234   1HG   ARG  29          2HG       ARG  29   3.365   3.276  -7.354
  235   2HG   ARG  29          1HG       ARG  29   4.597   2.231  -6.715
  236   1HD   ARG  29          2HD       ARG  29   2.042   1.457  -8.196
  237   2HD   ARG  29          1HD       ARG  29   3.713   1.155  -8.689
  238    HE   ARG  29           HE       ARG  29   2.525  -0.140  -6.244
  239   1HH1  ARG  29          2HH1      ARG  29   2.360  -1.302  -8.968
  240   2HH1  ARG  29          1HH1      ARG  29   3.686  -2.417  -9.041
  241   1HH2  ARG  29          1HH2      ARG  29   5.083  -0.818  -6.159
  242   2HH2  ARG  29          2HH2      ARG  29   5.386  -2.144  -7.198
  243    H    LYS  30           H        LYS  30   0.574   3.032  -6.001
  244    HA   LYS  30           HA       LYS  30   0.128   4.609  -8.151
  245   1HB   LYS  30          2HB       LYS  30  -1.548   3.160  -7.147
  246   2HB   LYS  30          1HB       LYS  30  -1.917   4.338  -5.901
  247   1HG   LYS  30          2HG       LYS  30  -3.625   4.751  -7.454
  248   2HG   LYS  30          1HG       LYS  30  -2.460   5.957  -7.911
  249   1HD   LYS  30          2HD       LYS  30  -1.564   4.298  -9.694
  250   2HD   LYS  30          1HD       LYS  30  -2.887   3.234  -9.276
  251   1HE   LYS  30          2HE       LYS  30  -3.601   4.520 -11.200
  252   2HE   LYS  30          1HE       LYS  30  -4.526   5.089  -9.830
  253   1HZ   LYS  30          1HZ       LYS  30  -3.708   7.109 -10.116
  254   2HZ   LYS  30          2HZ       LYS  30  -2.888   6.589 -11.508
  255   3HZ   LYS  30          3HZ       LYS  30  -2.114   6.577  -9.994
  256    H    THR  31           H        THR  31  -1.058   6.091  -5.198
  257    HA   THR  31           HA       THR  31  -1.049   8.858  -6.322
  258    HB   THR  31           HB       THR  31  -1.871   7.471  -3.870
  259    HG1  THR  31          1HG       THR  31  -3.665   7.234  -4.991
  260   1HG2  THR  31          1HG2      THR  31  -3.087   9.465  -3.046
  261   2HG2  THR  31          2HG2      THR  31  -2.820  10.333  -4.553
  262   3HG2  THR  31          3HG2      THR  31  -1.497  10.043  -3.433
  263    H    CYS  32           H        CYS  32   0.964   6.911  -5.089
  264    HA   CYS  32           HA       CYS  32   2.647   8.756  -3.523
  265   1HB   CYS  32          2HB       CYS  32   3.488   6.048  -3.670
  266   2HB   CYS  32          1HB       CYS  32   2.853   6.928  -2.324
  267    H    GLY  33           H        GLY  33   2.445   7.414  -6.585
  268   1HA   GLY  33          2HA       GLY  33   3.979   7.197  -8.379
  269   2HA   GLY  33          1HA       GLY  33   4.371   8.841  -7.898
  270    H    THR  34           H        THR  34   5.048   6.263  -5.684
  271    HA   THR  34           HA       THR  34   7.947   6.625  -6.272
  272    HB   THR  34           HB       THR  34   7.623   7.583  -4.147
  273    HG1  THR  34          1HG       THR  34   9.110   6.196  -3.419
  274   1HG2  THR  34          1HG2      THR  34   6.309   5.713  -2.479
  275   2HG2  THR  34          2HG2      THR  34   5.442   5.555  -3.982
  276   3HG2  THR  34          3HG2      THR  34   5.520   7.107  -3.194
  277   1HN   ABA  35           HN       ABA  35   6.602   4.118  -4.186
  278    HA   ABA  35           HA       ABA  35   7.838   2.134  -6.055
  279   1HB   ABA  35          1HB       ABA  35   9.476   2.135  -4.420
  280   2HB   ABA  35          2HB       ABA  35   8.433   0.816  -3.897
  281   1HG   ABA  35          1HG       ABA  35   8.462   3.644  -2.781
  282   2HG   ABA  35          2HG       ABA  35   8.954   2.189  -1.951
  283   3HG   ABA  35          3HG       ABA  35   7.260   2.443  -2.345
  Start of MODEL   12
    1   1H    ARG   1          1H        ARG   1  -0.039  15.086   4.251
    2   2H    ARG   1          2H        ARG   1   1.338  15.996   4.418
    3   3H    ARG   1          3H        ARG   1  -0.181  16.764   4.425
    4    HA   ARG   1           HA       ARG   1   1.288  15.777   6.602
    5   1HB   ARG   1          2HB       ARG   1  -0.474  17.855   6.248
    6   2HB   ARG   1          1HB       ARG   1  -1.616  16.650   6.779
    7   1HG   ARG   1          2HG       ARG   1  -0.980  17.848   8.743
    8   2HG   ARG   1          1HG       ARG   1  -0.236  16.283   8.865
    9   1HD   ARG   1          2HD       ARG   1   1.287  18.147   9.517
   10   2HD   ARG   1          1HD       ARG   1   1.966  17.200   8.215
   11    HE   ARG   1           HE       ARG   1   1.104  19.060   6.646
   12   1HH1  ARG   1          2HH1      ARG   1  -0.466  20.467   8.658
   13   2HH1  ARG   1          1HH1      ARG   1   0.546  21.774   9.143
   14   1HH2  ARG   1          2HH2      ARG   1   3.390  20.146   7.762
   15   2HH2  ARG   1          1HH2      ARG   1   2.912  21.571   8.590
   16    H    SER   2           H        SER   2  -0.362  13.557   4.803
   17    HA   SER   2           HA       SER   2  -1.137  12.206   7.303
   18   1HB   SER   2          2HB       SER   2  -2.717  10.955   5.446
   19   2HB   SER   2          1HB       SER   2  -3.239  12.481   6.164
   20    HG   SER   2           HG       SER   2  -2.569  11.964   3.656
   21   1HN   ABA   3           HN       ABA   3   1.381  12.308   5.857
   22    HA   ABA   3           HA       ABA   3   2.083  10.182   4.256
   23   1HB   ABA   3          1HB       ABA   3   3.934  11.543   4.727
   24   2HB   ABA   3          2HB       ABA   3   4.271  10.219   5.827
   25   1HG   ABA   3          1HG       ABA   3   3.462  12.959   6.530
   26   2HG   ABA   3          2HG       ABA   3   4.473  11.809   7.385
   27   3HG   ABA   3          3HG       ABA   3   2.733  11.670   7.490
   28    H    ILE   4           H        ILE   4   3.328   8.122   4.853
   29    HA   ILE   4           HA       ILE   4   1.894   6.704   7.023
   30    HB   ILE   4           HB       ILE   4   1.556   5.428   5.117
   31   1HG1  ILE   4          2HG1      ILE   4   3.460   4.219   6.718
   32   2HG1  ILE   4          1HG1      ILE   4   2.578   3.438   5.438
   33   1HG2  ILE   4          1HG2      ILE   4   2.664   6.980   3.515
   34   2HG2  ILE   4          2HG2      ILE   4   2.942   5.328   3.096
   35   3HG2  ILE   4          3HG2      ILE   4   4.219   6.264   3.845
   36   1HD1  ILE   4          1HD1      ILE   4   4.413   3.931   3.827
   37   2HD1  ILE   4          2HD1      ILE   4   5.016   3.046   5.220
   38   3HD1  ILE   4          3HD1      ILE   4   5.308   4.761   5.077
   39    H    ASP   5           H        ASP   5   5.083   6.574   5.500
   40    HA   ASP   5           HA       ASP   5   6.522   7.180   7.945
   41   1HB   ASP   5          2HB       ASP   5   6.077   4.959   8.624
   42   2HB   ASP   5          1HB       ASP   5   6.173   4.294   7.011
   43    H    THR   6           H        THR   6   7.790   4.927   5.762
   44    HA   THR   6           HA       THR   6  10.136   5.586   4.990
   45    HB   THR   6           HB       THR   6   9.666   4.633   2.689
   46    HG1  THR   6          1HG       THR   6   6.992   4.406   3.101
   47   1HG2  THR   6          1HG2      THR   6   8.708   2.533   3.447
   48   2HG2  THR   6          2HG2      THR   6   7.747   3.298   4.703
   49   3HG2  THR   6          3HG2      THR   6   9.472   3.157   4.892
   50    H    ILE   7           H        ILE   7   8.363   6.657   2.099
   51    HA   ILE   7           HA       ILE   7   9.751   9.308   2.434
   52    HB   ILE   7           HB       ILE   7  10.230   9.130  -0.043
   53   1HG1  ILE   7          2HG1      ILE   7   9.902   6.125   0.242
   54   2HG1  ILE   7          1HG1      ILE   7   8.485   7.076  -0.148
   55   1HG2  ILE   7          1HG2      ILE   7  12.160   7.467   0.362
   56   2HG2  ILE   7          2HG2      ILE   7  11.461   7.147   1.934
   57   3HG2  ILE   7          3HG2      ILE   7  12.031   8.756   1.545
   58   1HD1  ILE   7          1HD1      ILE   7  10.993   7.629  -1.690
   59   2HD1  ILE   7          2HD1      ILE   7   9.312   7.731  -2.200
   60   3HD1  ILE   7          3HD1      ILE   7  10.100   6.158  -2.025
   61    HA   PRO   8           HA       PRO   8   5.316   9.563   0.631
   62   1HB   PRO   8          2HB       PRO   8   3.694   9.849   2.732
   63   2HB   PRO   8          1HB       PRO   8   4.234   8.244   2.211
   64   1HG   PRO   8          2HG       PRO   8   5.578  10.030   4.345
   65   2HG   PRO   8          1HG       PRO   8   5.063   8.357   4.587
   66   1HD   PRO   8          2HD       PRO   8   7.569   8.977   3.987
   67   2HD   PRO   8          1HD       PRO   8   6.780   7.554   3.252
   68    H    LYS   9           H        LYS   9   6.661  11.409   0.196
   69    HA   LYS   9           HA       LYS   9   6.806  13.763   1.815
   70   1HB   LYS   9          2HB       LYS   9   8.137  13.044  -0.356
   71   2HB   LYS   9          1HB       LYS   9   6.866  13.896  -1.215
   72   1HG   LYS   9          2HG       LYS   9   7.375  15.975  -0.103
   73   2HG   LYS   9          1HG       LYS   9   8.443  15.186   1.047
   74   1HD   LYS   9          2HD       LYS   9  10.097  14.696  -0.658
   75   2HD   LYS   9          1HD       LYS   9   8.997  15.164  -1.951
   76   1HE   LYS   9          2HE       LYS   9   9.009  17.558  -0.917
   77   2HE   LYS   9          1HE       LYS   9  10.334  17.024   0.102
   78   1HZ   LYS   9          1HZ       LYS   9  10.948  16.316  -2.539
   79   2HZ   LYS   9          2HZ       LYS   9  11.736  17.479  -1.581
   80   3HZ   LYS   9          3HZ       LYS   9  10.431  17.931  -2.558
   81    H    SER  10           H        SER  10   3.999  13.066   1.782
   82    HA   SER  10           HA       SER  10   2.907  15.692   1.497
   83   1HB   SER  10          2HB       SER  10   1.286  15.117  -0.450
   84   2HB   SER  10          1HB       SER  10   2.980  15.280  -0.930
   85    HG   SER  10           HG       SER  10   3.035  13.223  -1.296
   86    H    ARG  11           H        ARG  11   0.955  13.087   0.468
   87    HA   ARG  11           HA       ARG  11  -0.277  12.528   3.040
   88   1HB   ARG  11          2HB       ARG  11  -2.453  12.918   1.894
   89   2HB   ARG  11          1HB       ARG  11  -1.574  14.396   2.230
   90   1HG   ARG  11          2HG       ARG  11  -0.690  13.761  -0.361
   91   2HG   ARG  11          1HG       ARG  11  -2.208  12.907  -0.347
   92   1HD   ARG  11          2HD       ARG  11  -2.101  15.374  -1.255
   93   2HD   ARG  11          1HD       ARG  11  -3.473  14.862  -0.290
   94    HE   ARG  11           HE       ARG  11  -1.174  16.186   1.097
   95   1HH1  ARG  11          1HH2      ARG  11  -2.697  18.081  -0.426
   96   2HH1  ARG  11          2HH2      ARG  11  -3.943  18.627   0.622
   97   1HH2  ARG  11          2HH1      ARG  11  -3.479  15.779   2.713
   98   2HH2  ARG  11          1HH1      ARG  11  -4.437  17.201   2.553
   99    H    CYS  12           H        CYS  12   1.408  10.869   1.346
  100    HA   CYS  12           HA       CYS  12  -0.592   9.071   0.101
  101   1HB   CYS  12          2HB       CYS  12   1.038   8.208  -1.217
  102   2HB   CYS  12          1HB       CYS  12   1.737   9.753  -1.008
  103    H    THR  13           H        THR  13  -1.081   7.039   1.021
  104    HA   THR  13           HA       THR  13   0.665   5.959   3.047
  105    HB   THR  13           HB       THR  13  -0.593   6.486   4.856
  106    HG1  THR  13          1HG       THR  13  -3.124   6.490   4.284
  107   1HG2  THR  13          1HG2      THR  13  -2.233   8.334   4.716
  108   2HG2  THR  13          2HG2      THR  13  -2.166   8.263   2.951
  109   3HG2  THR  13          3HG2      THR  13  -0.741   8.677   3.863
  110    H    ALA  14           H        ALA  14   0.066   3.806   3.623
  111    HA   ALA  14           HA       ALA  14  -1.033   2.419   1.340
  112   1HB   ALA  14          1HB       ALA  14   0.378   0.854   2.355
  113   2HB   ALA  14          2HB       ALA  14  -0.902   0.563   3.510
  114   3HB   ALA  14          3HB       ALA  14   0.364   1.706   3.890
  115    H    PHE  15           H        PHE  15  -2.376   4.082   3.850
  116    HA   PHE  15           HA       PHE  15  -4.761   2.484   4.279
  117   1HB   PHE  15          2HB       PHE  15  -4.445   5.245   5.338
  118   2HB   PHE  15          1HB       PHE  15  -5.023   3.789   6.113
  119    HD1  PHE  15          1HD       PHE  15  -2.879   1.870   5.890
  120    HD2  PHE  15          2HD       PHE  15  -2.629   6.064   6.596
  121    HE1  PHE  15          1HE       PHE  15  -0.706   1.567   6.915
  122    HE2  PHE  15          2HE       PHE  15  -0.462   5.783   7.616
  123    HZ   PHE  15           HZ       PHE  15   0.544   3.522   7.817
  124    H    GLN  16           H        GLN  16  -3.552   4.446   1.983
  125    HA   GLN  16           HA       GLN  16  -6.198   5.117   0.936
  126   1HB   GLN  16          2HB       GLN  16  -4.527   7.477   0.536
  127   2HB   GLN  16          1HB       GLN  16  -6.152   7.328   1.188
  128   1HG   GLN  16          2HG       GLN  16  -5.129   6.574   3.365
  129   2HG   GLN  16          1HG       GLN  16  -3.582   6.954   2.598
  130   1HE2  GLN  16          1HE2      GLN  16  -5.501   9.196   1.375
  131   2HE2  GLN  16          2HE2      GLN  16  -5.409  10.423   2.556
  132    H    CYS  17           H        CYS  17  -2.837   5.865   0.266
  133    HA   CYS  17           HA       CYS  17  -2.556   6.282  -2.389
  134   1HB   CYS  17          2HB       CYS  17  -0.563   5.390  -0.571
  135   2HB   CYS  17          1HB       CYS  17  -0.759   3.999  -1.534
  136    H    LYS  18           H        LYS  18  -2.821   3.210  -0.975
  137    HA   LYS  18           HA       LYS  18  -4.467   2.123  -3.026
  138   1HB   LYS  18          2HB       LYS  18  -2.329   2.275  -4.261
  139   2HB   LYS  18          1HB       LYS  18  -1.538   1.305  -3.058
  140   1HG   LYS  18          2HG       LYS  18  -2.083  -0.195  -4.958
  141   2HG   LYS  18          1HG       LYS  18  -3.033  -0.631  -3.574
  142   1HD   LYS  18          2HD       LYS  18  -4.822  -0.601  -5.074
  143   2HD   LYS  18          1HD       LYS  18  -4.869   1.082  -4.645
  144   1HE   LYS  18          2HE       LYS  18  -4.889   1.054  -6.986
  145   2HE   LYS  18          1HE       LYS  18  -3.264   1.560  -6.530
  146   1HZ   LYS  18          1HZ       LYS  18  -3.339  -1.258  -6.611
  147   2HZ   LYS  18          2HZ       LYS  18  -2.445  -0.213  -7.617
  148   3HZ   LYS  18          3HZ       LYS  18  -4.011  -0.668  -8.057
  149    H    HIS  19           H        HIS  19  -5.460   1.647  -0.956
  150    HA   HIS  19           HA       HIS  19  -4.825   0.218   1.162
  151   1HB   HIS  19          2HB       HIS  19  -7.218  -0.099  -0.679
  152   2HB   HIS  19          1HB       HIS  19  -7.150  -0.832   0.912
  153    HD1  HIS  19          1HD       HIS  19  -7.207   0.724   2.919
  154    HD2  HIS  19          2HD       HIS  19  -7.436   2.679  -0.753
  155    HE1  HIS  19          1HE       HIS  19  -7.888   3.074   3.285
  156    H    SER  20           H        SER  20  -6.277  -1.927  -1.277
  157    HA   SER  20           HA       SER  20  -4.825  -4.157  -0.217
  158   1HB   SER  20          2HB       SER  20  -6.339  -4.483  -2.763
  159   2HB   SER  20          1HB       SER  20  -6.489  -5.359  -1.232
  160    HG   SER  20           HG       SER  20  -8.153  -4.045  -0.847
  161    H    ALA  21           H        ALA  21  -2.856  -2.972  -0.807
  162    HA   ALA  21           HA       ALA  21  -1.381  -4.588  -2.690
  163   1HB   ALA  21          1HB       ALA  21  -2.541  -2.687  -4.124
  164   2HB   ALA  21          2HB       ALA  21  -0.820  -3.020  -4.362
  165   3HB   ALA  21          3HB       ALA  21  -1.302  -1.673  -3.363
  166    H    LYS  22           H        LYS  22  -1.583  -2.500  -0.061
  167    HA   LYS  22           HA       LYS  22   1.009  -1.417  -0.094
  168   1HB   LYS  22          2HB       LYS  22   0.936  -1.617   2.463
  169   2HB   LYS  22          1HB       LYS  22  -0.546  -0.964   1.792
  170   1HG   LYS  22          2HG       LYS  22  -1.645  -3.204   2.025
  171   2HG   LYS  22          1HG       LYS  22  -0.159  -3.819   2.783
  172   1HD   LYS  22          2HD       LYS  22  -0.272  -2.164   4.541
  173   2HD   LYS  22          1HD       LYS  22  -1.712  -1.446   3.840
  174   1HE   LYS  22          2HE       LYS  22  -3.136  -3.029   4.693
  175   2HE   LYS  22          1HE       LYS  22  -2.025  -4.350   4.405
  176   1HZ   LYS  22          1HZ       LYS  22  -0.905  -2.766   6.443
  177   2HZ   LYS  22          2HZ       LYS  22  -1.539  -4.327   6.587
  178   3HZ   LYS  22          3HZ       LYS  22  -2.531  -2.986   6.828
  179    H    TYR  23           H        TYR  23   0.098  -4.556   1.072
  180    HA   TYR  23           HA       TYR  23   2.666  -5.649   1.589
  181   1HB   TYR  23          2HB       TYR  23   1.361  -7.877   1.315
  182   2HB   TYR  23          1HB       TYR  23   0.756  -6.764   2.523
  183    HD1  TYR  23          1HD       TYR  23  -1.320  -5.471   2.105
  184    HD2  TYR  23          2HD       TYR  23   0.090  -8.260  -0.791
  185    HE1  TYR  23          1HE       TYR  23  -3.473  -5.381   0.987
  186    HE2  TYR  23          2HE       TYR  23  -2.089  -8.172  -1.898
  187    HH   TYR  23           HH       TYR  23  -4.338  -7.560  -1.520
  188    H    ARG  24           H        ARG  24   1.492  -4.761  -1.335
  189    HA   ARG  24           HA       ARG  24   3.048  -6.726  -2.849
  190   1HB   ARG  24          2HB       ARG  24   0.655  -5.028  -3.340
  191   2HB   ARG  24          1HB       ARG  24   1.695  -5.308  -4.711
  192   1HG   ARG  24          2HG       ARG  24   1.324  -7.694  -4.590
  193   2HG   ARG  24          1HG       ARG  24   0.853  -7.625  -2.910
  194   1HD   ARG  24          2HD       ARG  24  -1.007  -7.962  -4.738
  195   2HD   ARG  24          1HD       ARG  24  -1.303  -6.886  -3.375
  196    HE   ARG  24           HE       ARG  24  -1.063  -4.974  -4.808
  197   1HH1  ARG  24          1HH2      ARG  24   1.099  -5.804  -6.432
  198   2HH1  ARG  24          2HH2      ARG  24   0.442  -6.123  -7.987
  199   1HH2  ARG  24          2HH1      ARG  24  -2.823  -6.370  -6.497
  200   2HH2  ARG  24          1HH1      ARG  24  -2.038  -6.493  -8.025
  201    H    LEU  25           H        LEU  25   2.645  -3.183  -2.456
  202    HA   LEU  25           HA       LEU  25   5.040  -2.908  -4.158
  203   1HB   LEU  25          2HB       LEU  25   4.247  -0.421  -2.818
  204   2HB   LEU  25          1HB       LEU  25   4.395  -0.862  -4.477
  205    HG   LEU  25           HG       LEU  25   2.238  -0.141  -4.428
  206   1HD1  LEU  25          1HD1      LEU  25   2.554  -2.608  -5.315
  207   2HD1  LEU  25          2HD1      LEU  25   0.986  -1.793  -5.267
  208   3HD1  LEU  25          3HD1      LEU  25   1.416  -2.950  -4.036
  209   1HD2  LEU  25          1HD2      LEU  25   2.134  -1.566  -1.810
  210   2HD2  LEU  25          2HD2      LEU  25   0.693  -0.922  -2.587
  211   3HD2  LEU  25          3HD2      LEU  25   2.013   0.149  -2.126
  212    H    SER  26           H        SER  26   3.819  -1.805  -1.094
  213    HA   SER  26           HA       SER  26   5.546  -3.054   0.691
  214   1HB   SER  26          2HB       SER  26   6.732  -0.546  -0.522
  215   2HB   SER  26          1HB       SER  26   6.819  -0.642   1.241
  216    HG   SER  26           HG       SER  26   8.304  -2.115   0.968
  217    H    PHE  27           H        PHE  27   4.400   0.145   0.047
  218    HA   PHE  27           HA       PHE  27   2.279   0.051   2.017
  219   1HB   PHE  27          2HB       PHE  27   4.668   1.906   2.357
  220   2HB   PHE  27          1HB       PHE  27   3.127   2.133   3.142
  221    HD1  PHE  27          1HD       PHE  27   2.271   0.164   4.631
  222    HD2  PHE  27          2HD       PHE  27   6.278   0.450   3.230
  223    HE1  PHE  27          1HE       PHE  27   2.990  -1.449   6.324
  224    HE2  PHE  27          2HE       PHE  27   7.000  -1.148   4.914
  225    HZ   PHE  27           HZ       PHE  27   5.357  -2.116   6.481
  226    H    CYS  28           H        CYS  28   4.242   2.491   0.477
  227    HA   CYS  28           HA       CYS  28   1.865   3.865  -0.659
  228   1HB   CYS  28          2HB       CYS  28   4.474   4.675   0.480
  229   2HB   CYS  28          1HB       CYS  28   4.189   5.531  -0.935
  230    H    ARG  29           H        ARG  29   2.017   4.506  -2.788
  231    HA   ARG  29           HA       ARG  29   3.973   3.951  -4.767
  232   1HB   ARG  29          2HB       ARG  29   3.100   1.609  -3.976
  233   2HB   ARG  29          1HB       ARG  29   1.742   1.909  -5.010
  234   1HG   ARG  29          2HG       ARG  29   4.585   2.376  -5.930
  235   2HG   ARG  29          1HG       ARG  29   4.007   0.740  -5.896
  236   1HD   ARG  29          2HD       ARG  29   2.721   3.024  -7.464
  237   2HD   ARG  29          1HD       ARG  29   3.851   1.869  -8.117
  238    HE   ARG  29           HE       ARG  29   1.247   1.027  -6.900
  239   1HH1  ARG  29          1HH2      ARG  29   1.417   1.551  -9.795
  240   2HH1  ARG  29          2HH2      ARG  29   1.692   0.015 -10.517
  241   1HH2  ARG  29          2HH1      ARG  29   2.802  -1.228  -7.318
  242   2HH2  ARG  29          1HH1      ARG  29   2.578  -1.719  -8.957
  243    H    LYS  30           H        LYS  30   0.642   3.126  -5.480
  244    HA   LYS  30           HA       LYS  30   0.120   4.439  -7.707
  245   1HB   LYS  30          2HB       LYS  30  -1.360   3.115  -5.929
  246   2HB   LYS  30          1HB       LYS  30  -1.896   4.707  -5.515
  247   1HG   LYS  30          2HG       LYS  30  -2.360   3.069  -8.012
  248   2HG   LYS  30          1HG       LYS  30  -3.554   3.947  -7.100
  249   1HD   LYS  30          2HD       LYS  30  -1.389   5.258  -8.814
  250   2HD   LYS  30          1HD       LYS  30  -2.941   4.774  -9.417
  251   1HE   LYS  30          2HE       LYS  30  -2.309   7.297  -8.264
  252   2HE   LYS  30          1HE       LYS  30  -3.888   6.726  -8.744
  253   1HZ   LYS  30          1HZ       LYS  30  -3.324   5.622  -6.199
  254   2HZ   LYS  30          2HZ       LYS  30  -4.483   6.793  -6.604
  255   3HZ   LYS  30          3HZ       LYS  30  -2.912   7.219  -6.134
  256    H    THR  31           H        THR  31  -0.266   6.060  -4.703
  257    HA   THR  31           HA       THR  31  -0.621   8.785  -5.857
  258    HB   THR  31           HB       THR  31  -1.019   7.617  -3.137
  259    HG1  THR  31          1HG       THR  31  -3.299   7.867  -3.902
  260   1HG2  THR  31          1HG2      THR  31  -2.242  10.155  -4.406
  261   2HG2  THR  31          2HG2      THR  31  -0.978  10.155  -3.190
  262   3HG2  THR  31          3HG2      THR  31  -2.574   9.575  -2.773
  263    H    CYS  32           H        CYS  32   1.539   6.845  -4.687
  264    HA   CYS  32           HA       CYS  32   3.279   8.798  -3.306
  265   1HB   CYS  32          2HB       CYS  32   3.660   5.866  -3.552
  266   2HB   CYS  32          1HB       CYS  32   4.186   6.985  -2.330
  267    H    GLY  33           H        GLY  33   5.578   8.594  -3.598
  268   1HA   GLY  33          2HA       GLY  33   6.287   8.401  -6.520
  269   2HA   GLY  33          1HA       GLY  33   6.974   9.608  -5.431
  270    H    THR  34           H        THR  34   6.290   6.363  -4.668
  271    HA   THR  34           HA       THR  34   9.220   5.855  -4.248
  272    HB   THR  34           HB       THR  34   7.784   5.825  -2.200
  273    HG1  THR  34          1HG       THR  34   9.462   3.869  -3.103
  274   1HG2  THR  34          1HG2      THR  34   6.294   4.039  -1.719
  275   2HG2  THR  34          2HG2      THR  34   6.668   3.193  -3.191
  276   3HG2  THR  34          3HG2      THR  34   5.730   4.685  -3.242
  277   1HN   ABA  35           HN       ABA  35   6.396   3.951  -5.144
  278    HA   ABA  35           HA       ABA  35   8.201   2.239  -6.821
  279   1HB   ABA  35          1HB       ABA  35   6.260   0.458  -6.233
  280   2HB   ABA  35          2HB       ABA  35   6.039   1.486  -4.822
  281   1HG   ABA  35          1HG       ABA  35   7.561  -0.247  -4.167
  282   2HG   ABA  35          2HG       ABA  35   8.495   1.235  -4.315
  283   3HG   ABA  35          3HG       ABA  35   8.572   0.015  -5.578
  Start of MODEL   13
    1   1H    ARG   1          1H        ARG   1  -0.387  17.382   8.525
    2   2H    ARG   1          2H        ARG   1   0.496  16.271   7.592
    3   3H    ARG   1          3H        ARG   1  -0.417  15.738   8.941
    4    HA   ARG   1           HA       ARG   1  -2.179  15.378   7.552
    5   1HB   ARG   1          2HB       ARG   1  -1.800  18.276   6.608
    6   2HB   ARG   1          1HB       ARG   1  -3.273  17.342   6.535
    7   1HG   ARG   1          2HG       ARG   1  -3.069  17.271   9.211
    8   2HG   ARG   1          1HG       ARG   1  -1.965  18.620   8.987
    9   1HD   ARG   1          2HD       ARG   1  -3.986  19.740   9.202
   10   2HD   ARG   1          1HD       ARG   1  -3.873  19.615   7.451
   11    HE   ARG   1           HE       ARG   1  -5.281  17.424   7.794
   12   1HH1  ARG   1          2HH1      ARG   1  -6.728  19.972   7.650
   13   2HH1  ARG   1          1HH1      ARG   1  -7.783  19.957   9.007
   14   1HH2  ARG   1          2HH2      ARG   1  -5.902  17.373  10.557
   15   2HH2  ARG   1          1HH2      ARG   1  -7.278  18.376  10.752
   16    H    SER   2           H        SER   2   0.113  14.475   6.956
   17    HA   SER   2           HA       SER   2   0.306  14.648   4.071
   18   1HB   SER   2          2HB       SER   2   2.987  14.409   5.194
   19   2HB   SER   2          1HB       SER   2   2.337  15.817   4.351
   20    HG   SER   2           HG       SER   2   2.906  15.579   6.914
   21   1HN   ABA   3           HN       ABA   3   2.408  12.710   3.958
   22    HA   ABA   3           HA       ABA   3   0.931  10.290   4.509
   23   1HB   ABA   3          1HB       ABA   3   2.692  10.582   2.607
   24   2HB   ABA   3          2HB       ABA   3   2.852   9.131   3.563
   25   1HG   ABA   3          1HG       ABA   3   4.447  11.450   4.544
   26   2HG   ABA   3          2HG       ABA   3   4.965  10.656   3.061
   27   3HG   ABA   3          3HG       ABA   3   4.829   9.749   4.538
   28    H    ILE   4           H        ILE   4   2.507   8.478   5.784
   29    HA   ILE   4           HA       ILE   4   3.061   9.647   8.415
   30    HB   ILE   4           HB       ILE   4   2.963   7.192   8.999
   31   1HG1  ILE   4          2HG1      ILE   4   3.435   6.131   6.698
   32   2HG1  ILE   4          1HG1      ILE   4   2.099   5.457   7.576
   33   1HG2  ILE   4          1HG2      ILE   4   1.085   8.685   9.316
   34   2HG2  ILE   4          2HG2      ILE   4   0.555   7.037   9.000
   35   3HG2  ILE   4          3HG2      ILE   4   0.458   8.264   7.735
   36   1HD1  ILE   4          1HD1      ILE   4   0.880   7.405   5.966
   37   2HD1  ILE   4          2HD1      ILE   4   1.009   5.675   5.651
   38   3HD1  ILE   4          3HD1      ILE   4   2.185   6.767   4.980
   39    H    ASP   5           H        ASP   5   4.473   6.746   7.962
   40    HA   ASP   5           HA       ASP   5   7.148   7.872   7.733
   41   1HB   ASP   5          2HB       ASP   5   6.132   5.752   9.160
   42   2HB   ASP   5          1HB       ASP   5   6.670   4.892   7.726
   43    H    THR   6           H        THR   6   5.197   7.786   5.254
   44    HA   THR   6           HA       THR   6   6.747   5.967   3.556
   45    HB   THR   6           HB       THR   6   4.882   7.972   2.264
   46    HG1  THR   6          1HG       THR   6   3.117   7.009   3.016
   47   1HG2  THR   6          1HG2      THR   6   6.012   5.282   1.770
   48   2HG2  THR   6          2HG2      THR   6   5.018   6.252   0.715
   49   3HG2  THR   6          3HG2      THR   6   4.276   5.163   1.876
   50    H    ILE   7           H        ILE   7   7.799   6.706   1.589
   51    HA   ILE   7           HA       ILE   7   9.709   8.755   2.161
   52    HB   ILE   7           HB       ILE   7   9.296   8.233  -0.774
   53   1HG1  ILE   7          2HG1      ILE   7   8.622   5.961   0.092
   54   2HG1  ILE   7          1HG1      ILE   7  10.146   5.945  -0.730
   55   1HG2  ILE   7          1HG2      ILE   7  11.277   9.383   0.082
   56   2HG2  ILE   7          2HG2      ILE   7  11.729   7.892  -0.726
   57   3HG2  ILE   7          3HG2      ILE   7  11.730   7.978   1.031
   58   1HD1  ILE   7          1HD1      ILE   7  11.403   5.625   1.208
   59   2HD1  ILE   7          2HD1      ILE   7   9.952   4.730   1.607
   60   3HD1  ILE   7          3HD1      ILE   7  10.209   6.331   2.276
   61    HA   PRO   8           HA       PRO   8   7.602  11.656  -0.859
   62   1HB   PRO   8          2HB       PRO   8   4.909  10.937  -1.615
   63   2HB   PRO   8          1HB       PRO   8   6.343  10.889  -2.647
   64   1HG   PRO   8          2HG       PRO   8   4.950   8.611  -1.658
   65   2HG   PRO   8          1HG       PRO   8   6.571   8.618  -2.397
   66   1HD   PRO   8          2HD       PRO   8   5.780   8.482   0.457
   67   2HD   PRO   8          1HD       PRO   8   7.176   7.755  -0.361
   68    H    LYS   9           H        LYS   9   7.576  12.663   0.995
   69    HA   LYS   9           HA       LYS   9   5.611  12.591   3.097
   70   1HB   LYS   9          2HB       LYS   9   8.089  13.317   3.110
   71   2HB   LYS   9          1HB       LYS   9   7.532  14.878   2.596
   72   1HG   LYS   9          2HG       LYS   9   5.845  14.178   4.812
   73   2HG   LYS   9          1HG       LYS   9   7.382  13.465   5.222
   74   1HD   LYS   9          2HD       LYS   9   7.574  15.548   6.213
   75   2HD   LYS   9          1HD       LYS   9   8.439  15.803   4.726
   76   1HE   LYS   9          2HE       LYS   9   5.443  16.396   4.925
   77   2HE   LYS   9          1HE       LYS   9   6.617  17.571   5.479
   78   1HZ   LYS   9          1HZ       LYS   9   5.797  17.002   2.842
   79   2HZ   LYS   9          2HZ       LYS   9   7.441  16.666   2.965
   80   3HZ   LYS   9          3HZ       LYS   9   6.897  18.206   3.377
   81    H    SER  10           H        SER  10   4.044  12.791   1.151
   82    HA   SER  10           HA       SER  10   2.722  15.436   1.127
   83   1HB   SER  10          2HB       SER  10   2.874  13.375  -1.141
   84   2HB   SER  10          1HB       SER  10   2.076  14.955  -1.234
   85    HG   SER  10           HG       SER  10   4.709  14.893  -0.292
   86    H    ARG  11           H        ARG  11   0.929  13.090  -0.552
   87    HA   ARG  11           HA       ARG  11  -0.338  12.139   1.943
   88   1HB   ARG  11          2HB       ARG  11  -1.462  13.786  -0.209
   89   2HB   ARG  11          1HB       ARG  11  -2.408  12.337   0.011
   90   1HG   ARG  11          2HG       ARG  11  -2.889  12.737   2.263
   91   2HG   ARG  11          1HG       ARG  11  -1.592  13.902   2.460
   92   1HD   ARG  11          2HD       ARG  11  -3.920  14.339   0.542
   93   2HD   ARG  11          1HD       ARG  11  -3.937  14.932   2.207
   94    HE   ARG  11           HE       ARG  11  -1.743  15.685   0.294
   95   1HH1  ARG  11          2HH1      ARG  11  -1.570  16.617   3.105
   96   2HH1  ARG  11          1HH1      ARG  11  -2.281  18.180   3.054
   97   1HH2  ARG  11          1HH2      ARG  11  -3.809  17.515  -0.074
   98   2HH2  ARG  11          2HH2      ARG  11  -3.669  18.715   1.150
   99    H    CYS  12           H        CYS  12   1.073  10.371   1.461
  100    HA   CYS  12           HA       CYS  12  -0.327   8.405  -0.240
  101   1HB   CYS  12          2HB       CYS  12   1.446   8.108  -1.562
  102   2HB   CYS  12          1HB       CYS  12   2.096   9.566  -0.953
  103    H    THR  13           H        THR  13  -1.091   6.973   1.210
  104    HA   THR  13           HA       THR  13   0.671   5.845   3.254
  105    HB   THR  13           HB       THR  13  -0.772   6.519   5.024
  106    HG1  THR  13          1HG       THR  13  -3.173   6.677   4.165
  107   1HG2  THR  13          1HG2      THR  13  -2.318   8.435   4.566
  108   2HG2  THR  13          2HG2      THR  13  -2.043   8.242   2.844
  109   3HG2  THR  13          3HG2      THR  13  -0.731   8.745   3.886
  110    H    ALA  14           H        ALA  14  -0.018   3.556   3.685
  111    HA   ALA  14           HA       ALA  14  -1.320   2.528   1.288
  112   1HB   ALA  14          1HB       ALA  14  -0.087   0.679   2.001
  113   2HB   ALA  14          2HB       ALA  14  -1.313   0.419   3.224
  114   3HB   ALA  14          3HB       ALA  14   0.128   1.344   3.612
  115    H    PHE  15           H        PHE  15  -2.512   4.244   3.776
  116    HA   PHE  15           HA       PHE  15  -4.923   2.707   4.317
  117   1HB   PHE  15          2HB       PHE  15  -4.475   5.485   5.334
  118   2HB   PHE  15          1HB       PHE  15  -5.095   4.057   6.136
  119    HD1  PHE  15          1HD       PHE  15  -3.012   2.058   5.774
  120    HD2  PHE  15          2HD       PHE  15  -2.652   6.206   6.668
  121    HE1  PHE  15          1HE       PHE  15  -0.848   1.642   6.745
  122    HE2  PHE  15          2HE       PHE  15  -0.482   5.820   7.644
  123    HZ   PHE  15           HZ       PHE  15   0.473   3.514   7.721
  124    H    GLN  16           H        GLN  16  -3.655   4.514   1.982
  125    HA   GLN  16           HA       GLN  16  -6.269   5.223   0.892
  126   1HB   GLN  16          2HB       GLN  16  -4.700   7.502   0.370
  127   2HB   GLN  16          1HB       GLN  16  -6.257   7.360   1.172
  128   1HG   GLN  16          2HG       GLN  16  -5.160   6.988   3.329
  129   2HG   GLN  16          1HG       GLN  16  -3.616   6.993   2.474
  130   1HE2  GLN  16          1HE2      GLN  16  -5.242   9.193   0.779
  131   2HE2  GLN  16          2HE2      GLN  16  -4.854  10.597   1.668
  132    H    CYS  17           H        CYS  17  -2.870   6.014   0.304
  133    HA   CYS  17           HA       CYS  17  -2.637   6.374  -2.311
  134   1HB   CYS  17          2HB       CYS  17  -0.712   5.430  -0.350
  135   2HB   CYS  17          1HB       CYS  17  -0.605   4.331  -1.662
  136    H    LYS  18           H        LYS  18  -2.973   3.322  -0.895
  137    HA   LYS  18           HA       LYS  18  -4.462   2.175  -2.971
  138   1HB   LYS  18          2HB       LYS  18  -2.164   2.461  -4.136
  139   2HB   LYS  18          1HB       LYS  18  -1.513   1.346  -2.986
  140   1HG   LYS  18          2HG       LYS  18  -2.042   0.011  -4.964
  141   2HG   LYS  18          1HG       LYS  18  -3.228  -0.336  -3.730
  142   1HD   LYS  18          2HD       LYS  18  -4.682  -0.076  -5.430
  143   2HD   LYS  18          1HD       LYS  18  -4.690   1.562  -4.830
  144   1HE   LYS  18          2HE       LYS  18  -3.557   2.447  -6.592
  145   2HE   LYS  18          1HE       LYS  18  -2.634   0.987  -6.924
  146   1HZ   LYS  18          1HZ       LYS  18  -5.387   0.446  -7.265
  147   2HZ   LYS  18          2HZ       LYS  18  -4.163   0.380  -8.419
  148   3HZ   LYS  18          3HZ       LYS  18  -5.010   1.826  -8.148
  149    H    HIS  19           H        HIS  19  -5.385   1.771  -0.818
  150    HA   HIS  19           HA       HIS  19  -4.657   0.362   1.299
  151   1HB   HIS  19          2HB       HIS  19  -7.123  -0.114  -0.436
  152   2HB   HIS  19          1HB       HIS  19  -6.966  -0.682   1.206
  153    HD1  HIS  19          1HD       HIS  19  -7.224   1.011   3.051
  154    HD2  HIS  19          2HD       HIS  19  -7.333   2.680  -0.764
  155    HE1  HIS  19          1HE       HIS  19  -7.988   3.362   3.207
  156    H    SER  20           H        SER  20  -6.228  -1.825  -1.006
  157    HA   SER  20           HA       SER  20  -4.704  -4.008   0.083
  158   1HB   SER  20          2HB       SER  20  -6.228  -4.526  -2.402
  159   2HB   SER  20          1HB       SER  20  -6.412  -5.234  -0.791
  160    HG   SER  20           HG       SER  20  -8.123  -3.919  -0.684
  161    H    ALA  21           H        ALA  21  -2.739  -2.922  -0.476
  162    HA   ALA  21           HA       ALA  21  -1.404  -4.196  -2.656
  163   1HB   ALA  21          1HB       ALA  21  -2.548  -2.166  -3.742
  164   2HB   ALA  21          2HB       ALA  21  -0.819  -2.322  -3.995
  165   3HB   ALA  21          3HB       ALA  21  -1.423  -1.172  -2.808
  166    H    LYS  22           H        LYS  22  -1.437  -2.474   0.243
  167    HA   LYS  22           HA       LYS  22   1.178  -1.494   0.444
  168   1HB   LYS  22          2HB       LYS  22   1.082  -1.952   2.821
  169   2HB   LYS  22          1HB       LYS  22  -0.461  -1.358   2.244
  170   1HG   LYS  22          2HG       LYS  22  -1.348  -3.699   2.251
  171   2HG   LYS  22          1HG       LYS  22   0.195  -4.238   2.932
  172   1HD   LYS  22          2HD       LYS  22  -0.037  -2.710   4.824
  173   2HD   LYS  22          1HD       LYS  22  -1.541  -2.076   4.209
  174   1HE   LYS  22          2HE       LYS  22  -1.121  -5.050   4.915
  175   2HE   LYS  22          1HE       LYS  22  -1.831  -3.887   6.019
  176   1HZ   LYS  22          1HZ       LYS  22  -3.089  -5.244   3.876
  177   2HZ   LYS  22          2HZ       LYS  22  -3.128  -3.567   3.579
  178   3HZ   LYS  22          3HZ       LYS  22  -3.776  -4.191   5.017
  179    H    TYR  23           H        TYR  23   0.107  -4.774   0.760
  180    HA   TYR  23           HA       TYR  23   2.694  -5.969   1.234
  181   1HB   TYR  23          2HB       TYR  23   1.398  -8.114   0.842
  182   2HB   TYR  23          1HB       TYR  23   0.659  -7.059   2.031
  183    HD1  TYR  23          1HD       TYR  23   0.381  -8.441  -1.354
  184    HD2  TYR  23          2HD       TYR  23  -1.417  -5.792   1.457
  185    HE1  TYR  23          1HE       TYR  23  -1.648  -8.386  -2.703
  186    HE2  TYR  23          2HE       TYR  23  -3.440  -5.727   0.094
  187    HH   TYR  23           HH       TYR  23  -4.258  -7.823  -2.082
  188    H    ARG  24           H        ARG  24   1.633  -4.579  -1.428
  189    HA   ARG  24           HA       ARG  24   3.046  -6.299  -3.341
  190   1HB   ARG  24          2HB       ARG  24   0.625  -4.766  -3.533
  191   2HB   ARG  24          1HB       ARG  24   1.770  -4.059  -4.642
  192   1HG   ARG  24          2HG       ARG  24   1.610  -5.764  -6.113
  193   2HG   ARG  24          1HG       ARG  24   1.891  -6.965  -4.875
  194   1HD   ARG  24          2HD       ARG  24  -0.374  -7.228  -5.779
  195   2HD   ARG  24          1HD       ARG  24  -0.293  -6.762  -4.064
  196    HE   ARG  24           HE       ARG  24  -0.514  -4.530  -5.985
  197   1HH1  ARG  24          1HH2      ARG  24  -1.966  -6.564  -3.638
  198   2HH1  ARG  24          2HH2      ARG  24  -3.396  -5.675  -3.459
  199   1HH2  ARG  24          2HH1      ARG  24  -2.548  -3.411  -6.041
  200   2HH2  ARG  24          1HH1      ARG  24  -3.697  -3.829  -4.806
  201    H    LEU  25           H        LEU  25   2.600  -2.841  -2.590
  202    HA   LEU  25           HA       LEU  25   5.087  -2.253  -4.014
  203   1HB   LEU  25          2HB       LEU  25   4.462  -0.001  -2.342
  204   2HB   LEU  25          1HB       LEU  25   4.311  -0.214  -4.033
  205    HG   LEU  25           HG       LEU  25   2.161   0.613  -3.026
  206   1HD1  LEU  25          1HD1      LEU  25   0.732  -0.528  -4.374
  207   2HD1  LEU  25          2HD1      LEU  25   1.305  -2.105  -3.897
  208   3HD1  LEU  25          3HD1      LEU  25   2.216  -1.150  -5.055
  209   1HD2  LEU  25          1HD2      LEU  25   2.282   0.021  -1.027
  210   2HD2  LEU  25          2HD2      LEU  25   2.265  -1.697  -1.341
  211   3HD2  LEU  25          3HD2      LEU  25   0.841  -0.703  -1.696
  212    H    SER  26           H        SER  26   3.966  -1.546  -0.859
  213    HA   SER  26           HA       SER  26   5.628  -3.062   0.817
  214   1HB   SER  26          2HB       SER  26   6.844  -0.409  -0.135
  215   2HB   SER  26          1HB       SER  26   7.063  -0.850   1.570
  216    HG   SER  26           HG       SER  26   7.685  -2.428  -0.715
  217    H    PHE  27           H        PHE  27   4.517   0.098   0.216
  218    HA   PHE  27           HA       PHE  27   2.352   0.056   2.152
  219   1HB   PHE  27          2HB       PHE  27   4.658   2.026   2.384
  220   2HB   PHE  27          1HB       PHE  27   3.084   2.233   3.119
  221    HD1  PHE  27          1HD       PHE  27   6.311   1.123   3.767
  222    HD2  PHE  27          2HD       PHE  27   2.257  -0.034   4.435
  223    HE1  PHE  27          1HE       PHE  27   7.008  -0.273   5.640
  224    HE2  PHE  27          2HE       PHE  27   2.953  -1.423   6.300
  225    HZ   PHE  27           HZ       PHE  27   5.351  -1.551   6.932
  226    H    CYS  28           H        CYS  28   4.305   2.150   0.059
  227    HA   CYS  28           HA       CYS  28   1.815   3.329  -1.086
  228   1HB   CYS  28          2HB       CYS  28   4.337   4.426  -0.173
  229   2HB   CYS  28          1HB       CYS  28   3.797   5.160  -1.588
  230    H    ARG  29           H        ARG  29   1.671   3.711  -3.157
  231    HA   ARG  29           HA       ARG  29   3.747   3.457  -5.085
  232   1HB   ARG  29          2HB       ARG  29   3.104   1.215  -4.443
  233   2HB   ARG  29          1HB       ARG  29   1.593   1.255  -5.320
  234   1HG   ARG  29          2HG       ARG  29   4.222   1.800  -6.699
  235   2HG   ARG  29          1HG       ARG  29   4.163   0.217  -6.005
  236   1HD   ARG  29          2HD       ARG  29   3.394   0.125  -8.277
  237   2HD   ARG  29          1HD       ARG  29   2.002  -0.188  -7.222
  238    HE   ARG  29           HE       ARG  29   1.437   2.228  -7.423
  239   1HH1  ARG  29          2HH1      ARG  29   1.079   1.187 -10.075
  240   2HH1  ARG  29          1HH1      ARG  29   2.046   2.189 -11.088
  241   1HH2  ARG  29          1HH2      ARG  29   3.881   3.373  -8.213
  242   2HH2  ARG  29          2HH2      ARG  29   3.777   3.599  -9.898
  243    H    LYS  30           H        LYS  30   0.267   3.904  -4.746
  244    HA   LYS  30           HA       LYS  30   0.291   4.915  -7.555
  245   1HB   LYS  30          2HB       LYS  30  -1.529   3.412  -7.108
  246   2HB   LYS  30          1HB       LYS  30  -2.020   4.334  -5.706
  247   1HG   LYS  30          2HG       LYS  30  -3.532   4.754  -7.675
  248   2HG   LYS  30          1HG       LYS  30  -2.785   6.209  -7.070
  249   1HD   LYS  30          2HD       LYS  30  -0.893   5.507  -8.904
  250   2HD   LYS  30          1HD       LYS  30  -2.232   4.687  -9.627
  251   1HE   LYS  30          2HE       LYS  30  -2.381   7.659  -8.762
  252   2HE   LYS  30          1HE       LYS  30  -1.548   7.242 -10.240
  253   1HZ   LYS  30          1HZ       LYS  30  -4.312   7.569  -9.857
  254   2HZ   LYS  30          2HZ       LYS  30  -4.042   5.952 -10.276
  255   3HZ   LYS  30          3HZ       LYS  30  -3.489   7.196 -11.290
  256    H    THR  31           H        THR  31  -0.654   6.384  -4.451
  257    HA   THR  31           HA       THR  31  -0.902   9.089  -5.748
  258    HB   THR  31           HB       THR  31  -1.625   7.832  -3.205
  259    HG1  THR  31          1HG       THR  31  -3.814   8.565  -4.565
  260   1HG2  THR  31          1HG2      THR  31  -2.538  10.595  -4.300
  261   2HG2  THR  31          2HG2      THR  31  -1.523  10.351  -2.887
  262   3HG2  THR  31          3HG2      THR  31  -3.201   9.876  -2.833
  263    H    CYS  32           H        CYS  32   1.110   7.306  -4.703
  264    HA   CYS  32           HA       CYS  32   2.868   8.916  -3.033
  265   1HB   CYS  32          2HB       CYS  32   3.747   6.261  -3.730
  266   2HB   CYS  32          1HB       CYS  32   3.258   6.893  -2.172
  267    H    GLY  33           H        GLY  33   4.973   9.236  -3.511
  268   1HA   GLY  33          2HA       GLY  33   5.742   9.209  -6.411
  269   2HA   GLY  33          1HA       GLY  33   6.215  10.486  -5.268
  270    H    THR  34           H        THR  34   5.993   7.050  -4.741
  271    HA   THR  34           HA       THR  34   8.950   6.897  -4.306
  272    HB   THR  34           HB       THR  34   8.018   6.828  -2.110
  273    HG1  THR  34          1HG       THR  34   9.147   4.658  -3.107
  274   1HG2  THR  34          1HG2      THR  34   6.181   5.582  -1.335
  275   2HG2  THR  34          2HG2      THR  34   6.174   4.503  -2.704
  276   3HG2  THR  34          3HG2      THR  34   5.597   6.159  -2.883
  277   1HN   ABA  35           HN       ABA  35   6.198   4.695  -4.606
  278    HA   ABA  35           HA       ABA  35   7.857   3.068  -6.498
  279   1HB   ABA  35          1HB       ABA  35   6.590   1.123  -5.755
  280   2HB   ABA  35          2HB       ABA  35   5.512   2.117  -4.798
  281   1HG   ABA  35          1HG       ABA  35   8.499   1.760  -4.260
  282   2HG   ABA  35          2HG       ABA  35   7.196   1.043  -3.326
  283   3HG   ABA  35          3HG       ABA  35   7.435   2.782  -3.304
  Start of MODEL   14
    1   1H    ARG   1          1H        ARG   1  -1.664  13.990   9.815
    2   2H    ARG   1          2H        ARG   1  -2.231  15.579   9.651
    3   3H    ARG   1          3H        ARG   1  -1.190  14.931   8.477
    4    HA   ARG   1           HA       ARG   1  -3.340  13.168   8.543
    5   1HB   ARG   1          2HB       ARG   1  -4.219  16.089   8.150
    6   2HB   ARG   1          1HB       ARG   1  -5.237  14.684   8.027
    7   1HG   ARG   1          2HG       ARG   1  -4.123  14.594  10.692
    8   2HG   ARG   1          1HG       ARG   1  -4.531  16.271  10.395
    9   1HD   ARG   1          2HD       ARG   1  -6.509  15.349  11.313
   10   2HD   ARG   1          1HD       ARG   1  -6.833  15.433   9.599
   11    HE   ARG   1           HE       ARG   1  -6.914  13.083   9.512
   12   1HH1  ARG   1          2HH1      ARG   1  -6.884  13.876  12.613
   13   2HH1  ARG   1          1HH1      ARG   1  -6.090  12.506  13.276
   14   1HH2  ARG   1          2HH2      ARG   1  -5.181  11.364  10.045
   15   2HH2  ARG   1          1HH2      ARG   1  -5.085  10.986  11.716
   16    H    SER   2           H        SER   2  -1.198  13.068   7.426
   17    HA   SER   2           HA       SER   2  -1.603  13.941   4.658
   18   1HB   SER   2          2HB       SER   2   1.211  14.343   5.256
   19   2HB   SER   2          1HB       SER   2   0.005  15.607   5.131
   20    HG   SER   2           HG       SER   2   1.274  14.798   7.295
   21   1HN   ABA   3           HN       ABA   3   1.126  12.872   4.344
   22    HA   ABA   3           HA       ABA   3   0.478  10.123   3.775
   23   1HB   ABA   3          1HB       ABA   3   2.168  11.473   2.431
   24   2HB   ABA   3          2HB       ABA   3   2.856   9.999   3.023
   25   1HG   ABA   3          1HG       ABA   3   3.375  11.839   5.127
   26   2HG   ABA   3          2HG       ABA   3   3.608  12.784   3.681
   27   3HG   ABA   3          3HG       ABA   3   4.507  11.290   3.927
   28    H    ILE   4           H        ILE   4   2.996   8.958   4.640
   29    HA   ILE   4           HA       ILE   4   2.690   8.961   7.593
   30    HB   ILE   4           HB       ILE   4   1.890   6.851   7.098
   31   1HG1  ILE   4          2HG1      ILE   4   4.320   6.295   7.867
   32   2HG1  ILE   4          1HG1      ILE   4   3.223   5.055   7.363
   33   1HG2  ILE   4          1HG2      ILE   4   1.996   5.601   4.993
   34   2HG2  ILE   4          2HG2      ILE   4   3.010   6.848   4.298
   35   3HG2  ILE   4          3HG2      ILE   4   1.382   7.234   4.820
   36   1HD1  ILE   4          1HD1      ILE   4   4.308   4.561   5.392
   37   2HD1  ILE   4          2HD1      ILE   4   5.687   5.108   6.316
   38   3HD1  ILE   4          3HD1      ILE   4   4.934   6.174   5.141
   39    H    ASP   5           H        ASP   5   5.294   7.220   6.741
   40    HA   ASP   5           HA       ASP   5   7.045   9.518   6.147
   41   1HB   ASP   5          2HB       ASP   5   6.919   8.019   8.643
   42   2HB   ASP   5          1HB       ASP   5   8.465   7.680   7.887
   43    H    THR   6           H        THR   6   6.496   8.471   4.103
   44    HA   THR   6           HA       THR   6   8.166   6.074   3.509
   45    HB   THR   6           HB       THR   6   5.737   5.952   2.842
   46    HG1  THR   6          1HG       THR   6   6.596   4.972   1.211
   47   1HG2  THR   6          1HG2      THR   6   5.243   7.569   0.762
   48   2HG2  THR   6          2HG2      THR   6   6.358   8.662   1.559
   49   3HG2  THR   6          3HG2      THR   6   4.902   8.127   2.378
   50    H    ILE   7           H        ILE   7   8.112   7.095   0.672
   51    HA   ILE   7           HA       ILE   7  10.521   8.818   0.891
   52    HB   ILE   7           HB       ILE   7   9.817   8.109  -1.890
   53   1HG1  ILE   7          2HG1      ILE   7   8.659   6.082  -0.868
   54   2HG1  ILE   7          1HG1      ILE   7  10.017   5.687  -1.883
   55   1HG2  ILE   7          1HG2      ILE   7  12.023   8.754  -1.236
   56   2HG2  ILE   7          2HG2      ILE   7  12.085   7.126  -1.887
   57   3HG2  ILE   7          3HG2      ILE   7  12.176   7.388  -0.152
   58   1HD1  ILE   7          1HD1      ILE   7  10.022   4.366   0.242
   59   2HD1  ILE   7          2HD1      ILE   7  10.167   5.836   1.178
   60   3HD1  ILE   7          3HD1      ILE   7  11.466   5.346   0.106
   61    HA   PRO   8           HA       PRO   8   7.532  11.594  -1.560
   62   1HB   PRO   8          2HB       PRO   8   4.871  10.763  -1.834
   63   2HB   PRO   8          1HB       PRO   8   6.066  10.733  -3.129
   64   1HG   PRO   8          2HG       PRO   8   5.052   8.542  -1.383
   65   2HG   PRO   8          1HG       PRO   8   5.685   8.467  -3.029
   66   1HD   PRO   8          2HD       PRO   8   7.048   7.646  -0.732
   67   2HD   PRO   8          1HD       PRO   8   7.836   8.035  -2.264
   68    H    LYS   9           H        LYS   9   7.932  12.280   0.569
   69    HA   LYS   9           HA       LYS   9   6.063  11.773   2.719
   70   1HB   LYS   9          2HB       LYS   9   8.488  12.415   3.073
   71   2HB   LYS   9          1HB       LYS   9   8.108  14.029   2.491
   72   1HG   LYS   9          2HG       LYS   9   7.170  14.661   4.429
   73   2HG   LYS   9          1HG       LYS   9   6.183  13.221   4.532
   74   1HD   LYS   9          2HD       LYS   9   8.228  11.945   5.414
   75   2HD   LYS   9          1HD       LYS   9   9.075  13.482   5.498
   76   1HE   LYS   9          2HE       LYS   9   7.437  14.376   7.079
   77   2HE   LYS   9          1HE       LYS   9   6.402  12.970   6.870
   78   1HZ   LYS   9          1HZ       LYS   9   8.491  13.244   8.746
   79   2HZ   LYS   9          2HZ       LYS   9   8.914  12.013   7.667
   80   3HZ   LYS   9          3HZ       LYS   9   7.487  11.922   8.455
   81    H    SER  10           H        SER  10   4.189  12.287   1.236
   82    HA   SER  10           HA       SER  10   3.390  15.161   1.505
   83   1HB   SER  10          2HB       SER  10   2.269  14.917  -0.742
   84   2HB   SER  10          1HB       SER  10   4.013  14.609  -0.830
   85    HG   SER  10           HG       SER  10   3.560  12.623  -1.337
   86    H    ARG  11           H        ARG  11   1.213  12.999   0.008
   87    HA   ARG  11           HA       ARG  11  -0.462  12.603   2.393
   88   1HB   ARG  11          2HB       ARG  11  -2.362  13.158   0.781
   89   2HB   ARG  11          1HB       ARG  11  -1.478  14.528   1.418
   90   1HG   ARG  11          2HG       ARG  11  -0.091  14.205  -0.910
   91   2HG   ARG  11          1HG       ARG  11  -1.519  13.305  -1.368
   92   1HD   ARG  11          2HD       ARG  11  -1.882  15.590  -2.087
   93   2HD   ARG  11          1HD       ARG  11  -2.928  15.338  -0.700
   94    HE   ARG  11           HE       ARG  11  -1.016  16.416   0.670
   95   1HH1  ARG  11          2HH1      ARG  11   0.845  16.711  -1.481
   96   2HH1  ARG  11          1HH1      ARG  11   0.675  18.339  -2.011
   97   1HH2  ARG  11          1HH2      ARG  11  -2.523  18.522  -0.436
   98   2HH2  ARG  11          2HH2      ARG  11  -1.437  19.476  -1.368
   99    H    CYS  12           H        CYS  12   1.263  10.759   1.102
  100    HA   CYS  12           HA       CYS  12  -0.725   8.959  -0.123
  101   1HB   CYS  12          2HB       CYS  12   0.911   8.179  -1.503
  102   2HB   CYS  12          1HB       CYS  12   1.509   9.771  -1.321
  103    H    THR  13           H        THR  13  -1.145   7.107   0.949
  104    HA   THR  13           HA       THR  13   0.622   6.079   2.999
  105    HB   THR  13           HB       THR  13  -0.740   6.631   4.783
  106    HG1  THR  13          1HG       THR  13  -3.202   6.541   4.148
  107   1HG2  THR  13          1HG2      THR  13  -1.023   8.885   3.946
  108   2HG2  THR  13          2HG2      THR  13  -2.654   8.407   4.309
  109   3HG2  THR  13          3HG2      THR  13  -2.074   8.369   2.662
  110    H    ALA  14           H        ALA  14   0.024   3.895   3.584
  111    HA   ALA  14           HA       ALA  14  -1.115   2.552   1.261
  112   1HB   ALA  14          1HB       ALA  14  -0.762   0.698   3.475
  113   2HB   ALA  14          2HB       ALA  14   0.583   1.826   3.534
  114   3HB   ALA  14          3HB       ALA  14   0.266   0.904   2.070
  115    H    PHE  15           H        PHE  15  -2.305   4.184   3.805
  116    HA   PHE  15           HA       PHE  15  -4.589   2.537   4.469
  117   1HB   PHE  15          2HB       PHE  15  -4.359   5.365   5.338
  118   2HB   PHE  15          1HB       PHE  15  -4.823   3.931   6.224
  119    HD1  PHE  15          1HD       PHE  15  -2.580   2.123   5.937
  120    HD2  PHE  15          2HD       PHE  15  -2.567   6.335   6.546
  121    HE1  PHE  15          1HE       PHE  15  -0.362   1.964   6.880
  122    HE2  PHE  15          2HE       PHE  15  -0.349   6.201   7.492
  123    HZ   PHE  15           HZ       PHE  15   0.806   4.015   7.691
  124    H    GLN  16           H        GLN  16  -3.600   4.382   1.981
  125    HA   GLN  16           HA       GLN  16  -6.320   4.885   1.019
  126   1HB   GLN  16          2HB       GLN  16  -5.059   7.267   0.328
  127   2HB   GLN  16          1HB       GLN  16  -6.438   6.969   1.370
  128   1HG   GLN  16          2HG       GLN  16  -5.002   6.734   3.285
  129   2HG   GLN  16          1HG       GLN  16  -3.578   6.877   2.211
  130   1HE2  GLN  16          1HE2      GLN  16  -6.498   8.484   3.277
  131   2HE2  GLN  16          2HE2      GLN  16  -5.988  10.070   2.903
  132    H    CYS  17           H        CYS  17  -2.986   5.771   0.189
  133    HA   CYS  17           HA       CYS  17  -2.911   6.200  -2.451
  134   1HB   CYS  17          2HB       CYS  17  -0.816   5.473  -0.781
  135   2HB   CYS  17          1HB       CYS  17  -0.997   4.002  -1.614
  136    H    LYS  18           H        LYS  18  -2.892   3.109  -1.083
  137    HA   LYS  18           HA       LYS  18  -4.587   1.933  -3.052
  138   1HB   LYS  18          2HB       LYS  18  -2.379   2.262  -4.338
  139   2HB   LYS  18          1HB       LYS  18  -1.600   1.284  -3.138
  140   1HG   LYS  18          2HG       LYS  18  -2.087  -0.109  -5.125
  141   2HG   LYS  18          1HG       LYS  18  -2.959  -0.643  -3.726
  142   1HD   LYS  18          2HD       LYS  18  -4.494  -0.652  -5.633
  143   2HD   LYS  18          1HD       LYS  18  -5.055   0.471  -4.442
  144   1HE   LYS  18          2HE       LYS  18  -3.296   1.416  -6.759
  145   2HE   LYS  18          1HE       LYS  18  -5.011   1.144  -7.003
  146   1HZ   LYS  18          1HZ       LYS  18  -5.434   3.133  -6.137
  147   2HZ   LYS  18          2HZ       LYS  18  -3.788   3.436  -5.833
  148   3HZ   LYS  18          3HZ       LYS  18  -4.691   2.772  -4.671
  149    H    HIS  19           H        HIS  19  -5.485   1.495  -0.871
  150    HA   HIS  19           HA       HIS  19  -4.643   0.115   1.200
  151   1HB   HIS  19          2HB       HIS  19  -7.153  -0.402  -0.456
  152   2HB   HIS  19          1HB       HIS  19  -6.902  -1.039   1.155
  153    HD1  HIS  19          1HD       HIS  19  -6.897   0.642   3.087
  154    HD2  HIS  19          2HD       HIS  19  -7.537   2.386  -0.646
  155    HE1  HIS  19          1HE       HIS  19  -7.682   2.985   3.376
  156    H    SER  20           H        SER  20  -6.140  -2.033  -1.216
  157    HA   SER  20           HA       SER  20  -4.783  -4.275  -0.245
  158   1HB   SER  20          2HB       SER  20  -5.848  -4.457  -3.064
  159   2HB   SER  20          1HB       SER  20  -6.340  -5.375  -1.641
  160    HG   SER  20           HG       SER  20  -7.994  -4.052  -1.695
  161    H    ALA  21           H        ALA  21  -2.739  -2.333  -1.175
  162    HA   ALA  21           HA       ALA  21  -1.230  -4.370  -2.672
  163   1HB   ALA  21          1HB       ALA  21  -2.227  -2.514  -4.229
  164   2HB   ALA  21          2HB       ALA  21  -0.498  -2.822  -4.339
  165   3HB   ALA  21          3HB       ALA  21  -1.064  -1.449  -3.412
  166    H    LYS  22           H        LYS  22  -1.538  -2.549  -0.009
  167    HA   LYS  22           HA       LYS  22   1.118  -1.421   0.143
  168   1HB   LYS  22          2HB       LYS  22   0.714  -1.238   2.549
  169   2HB   LYS  22          1HB       LYS  22  -0.813  -0.913   1.754
  170   1HG   LYS  22          2HG       LYS  22  -1.609  -3.184   2.212
  171   2HG   LYS  22          1HG       LYS  22  -0.057  -3.618   2.944
  172   1HD   LYS  22          2HD       LYS  22  -0.334  -1.907   4.661
  173   2HD   LYS  22          1HD       LYS  22  -1.806  -1.329   3.893
  174   1HE   LYS  22          2HE       LYS  22  -2.722  -2.682   5.559
  175   2HE   LYS  22          1HE       LYS  22  -2.671  -3.789   4.201
  176   1HZ   LYS  22          1HZ       LYS  22  -1.323  -5.105   5.357
  177   2HZ   LYS  22          2HZ       LYS  22  -1.423  -4.062   6.682
  178   3HZ   LYS  22          3HZ       LYS  22  -0.173  -3.875   5.565
  179    H    TYR  23           H        TYR  23  -0.088  -4.577   0.313
  180    HA   TYR  23           HA       TYR  23   2.434  -5.663   1.452
  181   1HB   TYR  23          2HB       TYR  23   1.075  -7.819   1.357
  182   2HB   TYR  23          1HB       TYR  23   0.410  -6.572   2.381
  183    HD1  TYR  23          1HD       TYR  23   0.017  -8.189  -0.973
  184    HD2  TYR  23          2HD       TYR  23  -1.717  -5.601   1.939
  185    HE1  TYR  23          1HE       TYR  23  -2.128  -8.296  -2.137
  186    HE2  TYR  23          2HE       TYR  23  -3.845  -5.720   0.781
  187    HH   TYR  23           HH       TYR  23  -4.173  -6.672  -2.301
  188    H    ARG  24           H        ARG  24   1.544  -4.524  -1.337
  189    HA   ARG  24           HA       ARG  24   2.857  -6.567  -2.999
  190   1HB   ARG  24          2HB       ARG  24   0.653  -4.688  -3.429
  191   2HB   ARG  24          1HB       ARG  24   1.784  -4.890  -4.756
  192   1HG   ARG  24          2HG       ARG  24   1.188  -7.106  -5.131
  193   2HG   ARG  24          1HG       ARG  24   0.946  -7.452  -3.436
  194   1HD   ARG  24          2HD       ARG  24  -1.151  -7.448  -4.936
  195   2HD   ARG  24          1HD       ARG  24  -1.219  -6.553  -3.415
  196    HE   ARG  24           HE       ARG  24  -1.403  -4.575  -4.604
  197   1HH1  ARG  24          2HH1      ARG  24  -2.429  -6.235  -6.871
  198   2HH1  ARG  24          1HH1      ARG  24  -1.477  -5.756  -8.221
  199   1HH2  ARG  24          1HH2      ARG  24   0.868  -4.186  -6.044
  200   2HH2  ARG  24          2HH2      ARG  24   0.568  -4.506  -7.704
  201    H    LEU  25           H        LEU  25   2.747  -3.005  -2.533
  202    HA   LEU  25           HA       LEU  25   5.331  -2.867  -3.984
  203   1HB   LEU  25          2HB       LEU  25   4.741  -0.265  -2.981
  204   2HB   LEU  25          1HB       LEU  25   4.543  -0.846  -4.577
  205    HG   LEU  25           HG       LEU  25   2.525   0.222  -3.922
  206   1HD1  LEU  25          1HD1      LEU  25   1.575  -2.585  -3.951
  207   2HD1  LEU  25          2HD1      LEU  25   2.537  -2.023  -5.296
  208   3HD1  LEU  25          3HD1      LEU  25   1.055  -1.192  -4.864
  209   1HD2  LEU  25          1HD2      LEU  25   1.155  -0.621  -2.104
  210   2HD2  LEU  25          2HD2      LEU  25   2.626   0.221  -1.647
  211   3HD2  LEU  25          3HD2      LEU  25   2.548  -1.533  -1.538
  212    H    SER  26           H        SER  26   4.236  -1.061  -1.250
  213    HA   SER  26           HA       SER  26   5.547  -2.685   0.762
  214   1HB   SER  26          2HB       SER  26   6.843  -0.040  -0.155
  215   2HB   SER  26          1HB       SER  26   7.139  -0.733   1.449
  216    HG   SER  26           HG       SER  26   7.339  -2.590  -0.594
  217    H    PHE  27           H        PHE  27   4.349   0.477  -0.143
  218    HA   PHE  27           HA       PHE  27   2.338   0.425   1.941
  219   1HB   PHE  27          2HB       PHE  27   4.696   2.291   2.164
  220   2HB   PHE  27          1HB       PHE  27   3.140   2.665   2.837
  221    HD1  PHE  27          1HD       PHE  27   2.126   0.697   4.422
  222    HD2  PHE  27          2HD       PHE  27   6.249   1.192   3.461
  223    HE1  PHE  27          1HE       PHE  27   2.738  -0.601   6.385
  224    HE2  PHE  27          2HE       PHE  27   6.865  -0.108   5.426
  225    HZ   PHE  27           HZ       PHE  27   5.118  -1.008   6.914
  226    H    CYS  28           H        CYS  28   4.220   2.707   0.141
  227    HA   CYS  28           HA       CYS  28   1.827   4.025  -1.004
  228   1HB   CYS  28          2HB       CYS  28   4.390   4.882  -0.005
  229   2HB   CYS  28          1HB       CYS  28   3.868   5.769  -1.326
  230    H    ARG  29           H        ARG  29   1.676   4.111  -3.029
  231    HA   ARG  29           HA       ARG  29   3.867   4.074  -4.954
  232   1HB   ARG  29          2HB       ARG  29   3.608   1.725  -4.360
  233   2HB   ARG  29          1HB       ARG  29   2.000   1.728  -5.121
  234   1HG   ARG  29          2HG       ARG  29   3.477   2.769  -7.155
  235   2HG   ARG  29          1HG       ARG  29   4.781   2.059  -6.259
  236   1HD   ARG  29          2HD       ARG  29   4.093   0.338  -7.812
  237   2HD   ARG  29          1HD       ARG  29   3.468  -0.160  -6.263
  238    HE   ARG  29           HE       ARG  29   1.293   0.904  -6.879
  239   1HH1  ARG  29          1HH2      ARG  29   3.320   1.690  -9.215
  240   2HH1  ARG  29          2HH2      ARG  29   2.496   1.133 -10.618
  241   1HH2  ARG  29          2HH1      ARG  29   0.143  -0.587  -8.538
  242   2HH2  ARG  29          1HH1      ARG  29   0.533  -0.273 -10.184
  243    H    LYS  30           H        LYS  30   0.334   3.497  -4.918
  244    HA   LYS  30           HA       LYS  30   0.076   4.543  -7.661
  245   1HB   LYS  30          2HB       LYS  30  -1.638   3.040  -6.495
  246   2HB   LYS  30          1HB       LYS  30  -2.100   4.419  -5.522
  247   1HG   LYS  30          2HG       LYS  30  -2.085   4.734  -8.545
  248   2HG   LYS  30          1HG       LYS  30  -3.414   3.831  -7.874
  249   1HD   LYS  30          2HD       LYS  30  -3.623   5.979  -6.242
  250   2HD   LYS  30          1HD       LYS  30  -2.655   6.743  -7.476
  251   1HE   LYS  30          2HE       LYS  30  -4.583   5.631  -9.088
  252   2HE   LYS  30          1HE       LYS  30  -5.518   5.808  -7.613
  253   1HZ   LYS  30          1HZ       LYS  30  -4.098   8.208  -8.034
  254   2HZ   LYS  30          2HZ       LYS  30  -5.772   7.960  -8.082
  255   3HZ   LYS  30          3HZ       LYS  30  -4.869   7.797  -9.488
  256    H    THR  31           H        THR  31  -1.557   6.058  -4.845
  257    HA   THR  31           HA       THR  31  -1.460   8.713  -5.837
  258    HB   THR  31           HB       THR  31  -1.537   7.647  -3.029
  259    HG1  THR  31          1HG       THR  31  -3.957   7.847  -3.987
  260   1HG2  THR  31          1HG2      THR  31  -1.985   9.969  -2.635
  261   2HG2  THR  31          2HG2      THR  31  -3.569   9.659  -3.302
  262   3HG2  THR  31          3HG2      THR  31  -2.288  10.290  -4.323
  263    H    CYS  32           H        CYS  32   0.844   6.774  -4.729
  264    HA   CYS  32           HA       CYS  32   2.768   8.777  -3.764
  265   1HB   CYS  32          2HB       CYS  32   3.298   5.907  -3.882
  266   2HB   CYS  32          1HB       CYS  32   3.744   7.117  -2.744
  267    H    GLY  33           H        GLY  33   2.245   7.034  -6.687
  268   1HA   GLY  33          2HA       GLY  33   3.726   6.566  -8.454
  269   2HA   GLY  33          1HA       GLY  33   3.999   8.291  -8.306
  270    H    THR  34           H        THR  34   5.112   6.103  -5.811
  271    HA   THR  34           HA       THR  34   7.908   6.755  -6.588
  272    HB   THR  34           HB       THR  34   7.360   7.498  -4.343
  273    HG1  THR  34          1HG       THR  34   9.174   5.565  -4.705
  274   1HG2  THR  34          1HG2      THR  34   5.615   5.174  -4.155
  275   2HG2  THR  34          2HG2      THR  34   5.818   6.433  -2.975
  276   3HG2  THR  34          3HG2      THR  34   6.820   5.019  -2.902
  277   1HN   ABA  35           HN       ABA  35   6.973   3.977  -4.633
  278    HA   ABA  35           HA       ABA  35   7.701   2.136  -6.834
  279   1HB   ABA  35          1HB       ABA  35   9.872   2.483  -5.841
  280   2HB   ABA  35          2HB       ABA  35   9.297   0.925  -5.284
  281   1HG   ABA  35          1HG       ABA  35   8.937   3.457  -3.610
  282   2HG   ABA  35          2HG       ABA  35  10.303   2.368  -3.433
  283   3HG   ABA  35          3HG       ABA  35   8.670   1.795  -3.121
  Start of MODEL   15
    1   1H    ARG   1          1H        ARG   1  -4.978  13.945   9.377
    2   2H    ARG   1          2H        ARG   1  -3.522  13.435   8.704
    3   3H    ARG   1          3H        ARG   1  -4.730  12.295   9.071
    4    HA   ARG   1           HA       ARG   1  -5.529  12.532   6.961
    5   1HB   ARG   1          2HB       ARG   1  -5.795  15.520   7.493
    6   2HB   ARG   1          1HB       ARG   1  -6.800  14.535   6.479
    7   1HG   ARG   1          2HG       ARG   1  -6.858  13.658   9.381
    8   2HG   ARG   1          1HG       ARG   1  -7.340  15.314   9.157
    9   1HD   ARG   1          2HD       ARG   1  -8.680  12.808   8.121
   10   2HD   ARG   1          1HD       ARG   1  -9.360  14.103   9.087
   11    HE   ARG   1           HE       ARG   1  -8.733  14.303   6.162
   12   1HH1  ARG   1          2HH2      ARG   1 -11.508  14.139   7.131
   13   2HH1  ARG   1          1HH2      ARG   1 -12.038  15.774   7.214
   14   1HH2  ARG   1          2HH1      ARG   1  -8.665  16.910   7.068
   15   2HH2  ARG   1          1HH1      ARG   1 -10.286  17.489   7.173
   16    H    SER   2           H        SER   2  -3.037  12.101   6.581
   17    HA   SER   2           HA       SER   2  -2.203  13.600   4.374
   18   1HB   SER   2          2HB       SER   2  -1.636  15.472   5.970
   19   2HB   SER   2          1HB       SER   2  -0.814  14.346   7.052
   20    HG   SER   2           HG       SER   2   0.896  14.548   5.863
   21   1HN   ABA   3           HN       ABA   3   0.524  13.101   4.481
   22    HA   ABA   3           HA       ABA   3   0.642  10.175   4.495
   23   1HB   ABA   3          1HB       ABA   3   2.936  12.157   4.145
   24   2HB   ABA   3          2HB       ABA   3   1.928  11.661   2.798
   25   1HG   ABA   3          1HG       ABA   3   3.453  10.031   2.456
   26   2HG   ABA   3          2HG       ABA   3   2.865   9.223   3.889
   27   3HG   ABA   3          3HG       ABA   3   4.215  10.328   4.005
   28    H    ILE   4           H        ILE   4   2.235   9.065   5.840
   29    HA   ILE   4           HA       ILE   4   2.714  10.296   8.443
   30    HB   ILE   4           HB       ILE   4   2.762   7.944   9.147
   31   1HG1  ILE   4          2HG1      ILE   4   3.399   6.600   7.156
   32   2HG1  ILE   4          1HG1      ILE   4   1.905   6.056   7.831
   33   1HG2  ILE   4          1HG2      ILE   4   0.390   7.531   9.137
   34   2HG2  ILE   4          2HG2      ILE   4   0.183   8.583   7.733
   35   3HG2  ILE   4          3HG2      ILE   4   0.707   9.260   9.268
   36   1HD1  ILE   4          1HD1      ILE   4   1.416   6.075   5.576
   37   2HD1  ILE   4          2HD1      ILE   4   2.406   7.458   5.241
   38   3HD1  ILE   4          3HD1      ILE   4   0.846   7.691   5.999
   39    H    ASP   5           H        ASP   5   4.333   7.570   8.279
   40    HA   ASP   5           HA       ASP   5   6.900   8.854   7.831
   41   1HB   ASP   5          2HB       ASP   5   6.211   6.005   8.691
   42   2HB   ASP   5          1HB       ASP   5   7.786   6.788   8.849
   43    H    THR   6           H        THR   6   5.339   8.489   5.427
   44    HA   THR   6           HA       THR   6   6.793   6.295   4.038
   45    HB   THR   6           HB       THR   6   4.863   8.290   2.696
   46    HG1  THR   6          1HG       THR   6   4.507   6.540   4.808
   47   1HG2  THR   6          1HG2      THR   6   4.057   6.056   1.775
   48   2HG2  THR   6          2HG2      THR   6   5.424   5.259   2.525
   49   3HG2  THR   6          3HG2      THR   6   5.675   6.440   1.237
   50    H    ILE   7           H        ILE   7   7.322   7.392   1.598
   51    HA   ILE   7           HA       ILE   7   9.530   9.239   2.337
   52    HB   ILE   7           HB       ILE   7   9.481   8.507  -0.531
   53   1HG1  ILE   7          2HG1      ILE   7   8.232   6.477   0.173
   54   2HG1  ILE   7          1HG1      ILE   7   9.844   6.110  -0.343
   55   1HG2  ILE   7          1HG2      ILE   7  11.514   7.577   1.504
   56   2HG2  ILE   7          2HG2      ILE   7  11.466   9.226   0.912
   57   3HG2  ILE   7          3HG2      ILE   7  11.713   7.900  -0.207
   58   1HD1  ILE   7          1HD1      ILE   7   8.704   5.368   2.157
   59   2HD1  ILE   7          2HD1      ILE   7   9.887   6.598   2.564
   60   3HD1  ILE   7          3HD1      ILE   7  10.372   5.173   1.665
   61    HA   PRO   8           HA       PRO   8   7.390  12.005  -0.945
   62   1HB   PRO   8          2HB       PRO   8   4.751  11.334  -1.618
   63   2HB   PRO   8          1HB       PRO   8   6.136  10.982  -2.655
   64   1HG   PRO   8          2HG       PRO   8   4.768   9.200  -0.637
   65   2HG   PRO   8          1HG       PRO   8   5.339   8.775  -2.254
   66   1HD   PRO   8          2HD       PRO   8   6.774   8.096  -0.068
   67   2HD   PRO   8          1HD       PRO   8   7.621   8.672  -1.517
   68    H    LYS   9           H        LYS   9   7.484  13.021   1.032
   69    HA   LYS   9           HA       LYS   9   5.508  12.809   3.121
   70   1HB   LYS   9          2HB       LYS   9   7.913  13.679   3.350
   71   2HB   LYS   9          1HB       LYS   9   7.411  15.151   2.551
   72   1HG   LYS   9          2HG       LYS   9   5.658  14.403   4.833
   73   2HG   LYS   9          1HG       LYS   9   7.335  14.574   5.306
   74   1HD   LYS   9          2HD       LYS   9   7.337  16.895   5.015
   75   2HD   LYS   9          1HD       LYS   9   6.392  16.811   3.549
   76   1HE   LYS   9          2HE       LYS   9   5.157  17.958   5.418
   77   2HE   LYS   9          1HE       LYS   9   4.308  16.562   4.759
   78   1HZ   LYS   9          1HZ       LYS   9   5.161  16.971   7.433
   79   2HZ   LYS   9          2HZ       LYS   9   6.028  15.662   6.784
   80   3HZ   LYS   9          3HZ       LYS   9   4.363  15.615   6.781
   81    H    SER  10           H        SER  10   3.707  12.916   1.546
   82    HA   SER  10           HA       SER  10   2.557  15.645   1.392
   83   1HB   SER  10          2HB       SER  10   2.711  13.605  -0.935
   84   2HB   SER  10          1HB       SER  10   1.734  15.075  -0.986
   85    HG   SER  10           HG       SER  10   4.295  15.515  -0.077
   86    H    ARG  11           H        ARG  11   0.840  13.349  -0.318
   87    HA   ARG  11           HA       ARG  11  -0.682  12.419   2.033
   88   1HB   ARG  11          2HB       ARG  11  -1.900  14.289   1.023
   89   2HB   ARG  11          1HB       ARG  11  -1.655  13.695  -0.594
   90   1HG   ARG  11          2HG       ARG  11  -2.924  11.631   1.028
   91   2HG   ARG  11          1HG       ARG  11  -3.787  13.118   1.278
   92   1HD   ARG  11          2HD       ARG  11  -4.428  11.394  -0.704
   93   2HD   ARG  11          1HD       ARG  11  -4.602  13.120  -0.984
   94    HE   ARG  11           HE       ARG  11  -1.935  12.107  -1.680
   95   1HH1  ARG  11          1HH2      ARG  11  -3.578  14.215  -3.025
   96   2HH1  ARG  11          2HH2      ARG  11  -3.972  13.535  -4.567
   97   1HH2  ARG  11          2HH1      ARG  11  -3.068  10.265  -3.463
   98   2HH2  ARG  11          1HH1      ARG  11  -3.607  11.162  -4.791
   99    H    CYS  12           H        CYS  12   0.783  10.528   1.652
  100    HA   CYS  12           HA       CYS  12  -0.505   8.649  -0.213
  101   1HB   CYS  12          2HB       CYS  12   1.376   8.323  -1.551
  102   2HB   CYS  12          1HB       CYS  12   2.098   9.680  -0.850
  103    H    THR  13           H        THR  13  -1.043   6.910   1.059
  104    HA   THR  13           HA       THR  13   0.743   6.006   3.161
  105    HB   THR  13           HB       THR  13  -0.566   6.678   4.934
  106    HG1  THR  13          1HG       THR  13  -2.643   5.694   3.332
  107   1HG2  THR  13          1HG2      THR  13  -2.575   8.285   4.363
  108   2HG2  THR  13          2HG2      THR  13  -1.869   8.270   2.759
  109   3HG2  THR  13          3HG2      THR  13  -0.938   8.873   4.100
  110    H    ALA  14           H        ALA  14   0.368   3.722   3.514
  111    HA   ALA  14           HA       ALA  14  -1.015   2.409   1.391
  112   1HB   ALA  14          1HB       ALA  14   0.152   0.680   2.395
  113   2HB   ALA  14          2HB       ALA  14  -1.097   0.619   3.625
  114   3HB   ALA  14          3HB       ALA  14   0.347   1.573   3.894
  115    H    PHE  15           H        PHE  15  -2.163   4.085   4.132
  116    HA   PHE  15           HA       PHE  15  -4.693   2.726   4.488
  117   1HB   PHE  15          2HB       PHE  15  -4.304   5.492   5.445
  118   2HB   PHE  15          1HB       PHE  15  -4.886   4.060   6.273
  119    HD1  PHE  15          1HD       PHE  15  -2.762   2.095   6.058
  120    HD2  PHE  15          2HD       PHE  15  -2.477   6.298   6.636
  121    HE1  PHE  15          1HE       PHE  15  -0.561   1.794   6.993
  122    HE2  PHE  15          2HE       PHE  15  -0.281   6.029   7.574
  123    HZ   PHE  15           HZ       PHE  15   0.739   3.781   7.798
  124    H    GLN  16           H        GLN  16  -3.598   4.330   2.064
  125    HA   GLN  16           HA       GLN  16  -6.186   5.043   0.947
  126   1HB   GLN  16          2HB       GLN  16  -5.012   7.334   0.319
  127   2HB   GLN  16          1HB       GLN  16  -6.231   7.050   1.554
  128   1HG   GLN  16          2HG       GLN  16  -4.671   7.072   3.315
  129   2HG   GLN  16          1HG       GLN  16  -3.310   6.925   2.182
  130   1HE2  GLN  16          1HE2      GLN  16  -6.181   8.894   2.707
  131   2HE2  GLN  16          2HE2      GLN  16  -5.500  10.383   2.234
  132    H    CYS  17           H        CYS  17  -2.798   5.932   0.448
  133    HA   CYS  17           HA       CYS  17  -2.533   6.198  -2.210
  134   1HB   CYS  17          2HB       CYS  17  -0.625   5.443  -0.138
  135   2HB   CYS  17          1HB       CYS  17  -0.395   4.357  -1.433
  136    H    LYS  18           H        LYS  18  -2.505   3.184  -0.547
  137    HA   LYS  18           HA       LYS  18  -3.815   1.983  -2.758
  138   1HB   LYS  18          2HB       LYS  18  -1.130   2.232  -3.078
  139   2HB   LYS  18          1HB       LYS  18  -1.136   0.665  -2.351
  140   1HG   LYS  18          2HG       LYS  18  -1.977   1.567  -5.093
  141   2HG   LYS  18          1HG       LYS  18  -1.350   0.046  -4.595
  142   1HD   LYS  18          2HD       LYS  18  -3.480  -0.589  -5.247
  143   2HD   LYS  18          1HD       LYS  18  -3.782  -0.345  -3.555
  144   1HE   LYS  18          2HE       LYS  18  -4.150   2.179  -5.050
  145   2HE   LYS  18          1HE       LYS  18  -5.078   0.897  -5.806
  146   1HZ   LYS  18          1HZ       LYS  18  -6.582   1.081  -4.192
  147   2HZ   LYS  18          2HZ       LYS  18  -5.685   2.314  -3.475
  148   3HZ   LYS  18          3HZ       LYS  18  -5.421   0.702  -3.015
  149    H    HIS  19           H        HIS  19  -5.090   1.698  -0.479
  150    HA   HIS  19           HA       HIS  19  -4.644   0.071   1.544
  151   1HB   HIS  19          2HB       HIS  19  -7.046  -0.195  -0.313
  152   2HB   HIS  19          1HB       HIS  19  -6.951  -0.739   1.339
  153    HD1  HIS  19          1HD       HIS  19  -6.981   1.099   3.176
  154    HD2  HIS  19          2HD       HIS  19  -7.327   2.533  -0.719
  155    HE1  HIS  19          1HE       HIS  19  -7.692   3.463   3.237
  156    H    SER  20           H        SER  20  -6.293  -1.789  -1.024
  157    HA   SER  20           HA       SER  20  -4.880  -4.170  -0.214
  158   1HB   SER  20          2HB       SER  20  -6.421  -4.269  -2.747
  159   2HB   SER  20          1HB       SER  20  -6.631  -5.193  -1.251
  160    HG   SER  20           HG       SER  20  -8.308  -3.885  -1.023
  161    H    ALA  21           H        ALA  21  -2.926  -3.140  -0.621
  162    HA   ALA  21           HA       ALA  21  -1.439  -4.197  -2.765
  163   1HB   ALA  21          1HB       ALA  21  -1.961  -1.248  -2.923
  164   2HB   ALA  21          2HB       ALA  21  -2.596  -2.367  -4.121
  165   3HB   ALA  21          3HB       ALA  21  -0.853  -2.078  -3.982
  166    H    LYS  22           H        LYS  22  -1.722  -2.414   0.113
  167    HA   LYS  22           HA       LYS  22   0.868  -1.308   0.125
  168   1HB   LYS  22          2HB       LYS  22   0.794  -1.570   2.646
  169   2HB   LYS  22          1HB       LYS  22  -0.806  -1.159   2.088
  170   1HG   LYS  22          2HG       LYS  22  -1.427  -3.591   2.153
  171   2HG   LYS  22          1HG       LYS  22   0.165  -3.954   2.843
  172   1HD   LYS  22          2HD       LYS  22  -0.294  -2.441   4.749
  173   2HD   LYS  22          1HD       LYS  22  -1.855  -2.043   4.067
  174   1HE   LYS  22          2HE       LYS  22  -2.778  -3.761   5.209
  175   2HE   LYS  22          1HE       LYS  22  -1.914  -4.868   4.164
  176   1HZ   LYS  22          1HZ       LYS  22  -1.562  -4.433   6.914
  177   2HZ   LYS  22          2HZ       LYS  22  -0.122  -3.984   6.174
  178   3HZ   LYS  22          3HZ       LYS  22  -0.747  -5.543   5.944
  179    H    TYR  23           H        TYR  23  -0.108  -4.587   0.724
  180    HA   TYR  23           HA       TYR  23   2.523  -5.690   1.111
  181   1HB   TYR  23          2HB       TYR  23   1.205  -7.914   0.750
  182   2HB   TYR  23          1HB       TYR  23   0.658  -6.896   2.067
  183    HD1  TYR  23          1HD       TYR  23  -1.481  -5.788   1.976
  184    HD2  TYR  23          2HD       TYR  23  -0.090  -7.923  -1.433
  185    HE1  TYR  23          1HE       TYR  23  -3.697  -5.628   0.978
  186    HE2  TYR  23          2HE       TYR  23  -2.311  -7.763  -2.427
  187    HH   TYR  23           HH       TYR  23  -4.595  -7.419  -1.784
  188    H    ARG  24           H        ARG  24   1.516  -4.391  -1.602
  189    HA   ARG  24           HA       ARG  24   2.772  -6.382  -3.375
  190   1HB   ARG  24          2HB       ARG  24   0.633  -4.329  -3.625
  191   2HB   ARG  24          1HB       ARG  24   1.611  -4.555  -5.036
  192   1HG   ARG  24          2HG       ARG  24   0.852  -6.851  -5.283
  193   2HG   ARG  24          1HG       ARG  24   0.535  -7.014  -3.581
  194   1HD   ARG  24          2HD       ARG  24  -1.473  -6.754  -5.310
  195   2HD   ARG  24          1HD       ARG  24  -1.559  -6.073  -3.697
  196    HE   ARG  24           HE       ARG  24  -1.172  -3.849  -4.636
  197   1HH1  ARG  24          1HH2      ARG  24   0.570  -4.975  -6.712
  198   2HH1  ARG  24          2HH2      ARG  24  -0.228  -4.621  -8.195
  199   1HH2  ARG  24          2HH1      ARG  24  -3.251  -4.067  -6.284
  200   2HH2  ARG  24          1HH1      ARG  24  -2.685  -4.040  -7.911
  201    H    LEU  25           H        LEU  25   2.651  -2.927  -2.620
  202    HA   LEU  25           HA       LEU  25   5.200  -2.599  -4.107
  203   1HB   LEU  25          2HB       LEU  25   4.631  -0.146  -2.768
  204   2HB   LEU  25          1HB       LEU  25   4.484  -0.580  -4.435
  205    HG   LEU  25           HG       LEU  25   2.452   0.469  -3.748
  206   1HD1  LEU  25          1HD1      LEU  25   2.559  -1.947  -5.125
  207   2HD1  LEU  25          2HD1      LEU  25   1.183  -0.858  -5.057
  208   3HD1  LEU  25          3HD1      LEU  25   1.286  -2.201  -3.948
  209   1HD2  LEU  25          1HD2      LEU  25   2.368  -1.567  -1.580
  210   2HD2  LEU  25          2HD2      LEU  25   1.004  -0.577  -2.059
  211   3HD2  LEU  25          3HD2      LEU  25   2.490   0.170  -1.495
  212    H    SER  26           H        SER  26   3.972  -1.719  -0.946
  213    HA   SER  26           HA       SER  26   5.763  -3.092   0.722
  214   1HB   SER  26          2HB       SER  26   6.774  -0.337  -0.199
  215   2HB   SER  26          1HB       SER  26   6.981  -0.765   1.502
  216    HG   SER  26           HG       SER  26   7.683  -2.543  -0.583
  217    H    PHE  27           H        PHE  27   4.474   0.033   0.164
  218    HA   PHE  27           HA       PHE  27   2.335  -0.221   2.120
  219   1HB   PHE  27          2HB       PHE  27   4.509   1.922   2.338
  220   2HB   PHE  27          1HB       PHE  27   2.942   2.050   3.086
  221    HD1  PHE  27          1HD       PHE  27   2.241  -0.259   4.435
  222    HD2  PHE  27          2HD       PHE  27   6.216   1.098   3.708
  223    HE1  PHE  27          1HE       PHE  27   3.033  -1.586   6.306
  224    HE2  PHE  27          2HE       PHE  27   7.007  -0.226   5.585
  225    HZ   PHE  27           HZ       PHE  27   5.434  -1.583   6.909
  226    H    CYS  28           H        CYS  28   4.127   2.138   0.315
  227    HA   CYS  28           HA       CYS  28   1.723   3.146  -1.095
  228   1HB   CYS  28          2HB       CYS  28   3.955   4.439   0.276
  229   2HB   CYS  28          1HB       CYS  28   3.674   5.139  -1.228
  230    H    ARG  29           H        ARG  29   1.824   3.726  -3.095
  231    HA   ARG  29           HA       ARG  29   3.967   4.049  -4.877
  232   1HB   ARG  29          2HB       ARG  29   4.029   1.566  -4.537
  233   2HB   ARG  29          1HB       ARG  29   2.581   1.463  -5.546
  234   1HG   ARG  29          2HG       ARG  29   4.835   3.258  -6.587
  235   2HG   ARG  29          1HG       ARG  29   5.242   1.588  -6.387
  236   1HD   ARG  29          2HD       ARG  29   2.977   2.550  -8.096
  237   2HD   ARG  29          1HD       ARG  29   4.550   1.933  -8.620
  238    HE   ARG  29           HE       ARG  29   3.782  -0.021  -6.929
  239   1HH1  ARG  29          1HH2      ARG  29   0.992   0.799  -7.305
  240   2HH1  ARG  29          2HH2      ARG  29   0.436  -0.166  -8.631
  241   1HH2  ARG  29          2HH1      ARG  29   3.811  -0.772  -9.611
  242   2HH2  ARG  29          1HH1      ARG  29   2.189  -1.118 -10.082
  243    H    LYS  30           H        LYS  30   0.436   3.737  -4.666
  244    HA   LYS  30           HA       LYS  30   0.153   4.387  -7.532
  245   1HB   LYS  30          2HB       LYS  30  -1.608   3.434  -5.437
  246   2HB   LYS  30          1HB       LYS  30  -2.346   4.838  -6.128
  247   1HG   LYS  30          2HG       LYS  30  -1.375   2.504  -7.828
  248   2HG   LYS  30          1HG       LYS  30  -3.043   2.725  -7.324
  249   1HD   LYS  30          2HD       LYS  30  -2.874   5.098  -8.429
  250   2HD   LYS  30          1HD       LYS  30  -1.348   4.567  -9.070
  251   1HE   LYS  30          2HE       LYS  30  -2.752   4.060 -10.864
  252   2HE   LYS  30          1HE       LYS  30  -2.641   2.498 -10.075
  253   1HZ   LYS  30          1HZ       LYS  30  -4.869   2.525  -9.766
  254   2HZ   LYS  30          2HZ       LYS  30  -4.934   3.939 -10.659
  255   3HZ   LYS  30          3HZ       LYS  30  -4.783   4.039  -8.977
  256    H    THR  31           H        THR  31  -0.225   6.094  -4.569
  257    HA   THR  31           HA       THR  31  -0.741   8.760  -5.883
  258    HB   THR  31           HB       THR  31  -1.524   7.339  -3.422
  259    HG1  THR  31          1HG       THR  31  -3.188   7.909  -4.596
  260   1HG2  THR  31          1HG2      THR  31  -1.015  10.371  -3.403
  261   2HG2  THR  31          2HG2      THR  31  -0.211   9.216  -2.386
  262   3HG2  THR  31          3HG2      THR  31  -1.919   9.459  -2.177
  263    H    CYS  32           H        CYS  32   1.327   6.873  -4.396
  264    HA   CYS  32           HA       CYS  32   3.297   8.781  -3.483
  265   1HB   CYS  32          2HB       CYS  32   4.079   6.113  -3.197
  266   2HB   CYS  32          1HB       CYS  32   3.408   7.153  -1.987
  267    H    GLY  33           H        GLY  33   3.157   6.305  -6.096
  268   1HA   GLY  33          2HA       GLY  33   4.819   5.835  -7.727
  269   2HA   GLY  33          1HA       GLY  33   4.845   7.596  -7.863
  270    H    THR  34           H        THR  34   5.622   5.863  -5.050
  271    HA   THR  34           HA       THR  34   8.463   6.739  -5.121
  272    HB   THR  34           HB       THR  34   6.857   7.612  -3.371
  273    HG1  THR  34          1HG       THR  34   9.347   6.392  -3.016
  274   1HG2  THR  34          1HG2      THR  34   6.010   5.094  -2.762
  275   2HG2  THR  34          2HG2      THR  34   6.150   6.317  -1.521
  276   3HG2  THR  34          3HG2      THR  34   7.424   5.133  -1.726
  277   1HN   ABA  35           HN       ABA  35   6.464   3.986  -4.404
  278    HA   ABA  35           HA       ABA  35   8.969   2.326  -4.260
  279   1HB   ABA  35          1HB       ABA  35   6.455   1.200  -3.078
  280   2HB   ABA  35          2HB       ABA  35   7.049   2.618  -2.249
  281   1HG   ABA  35          1HG       ABA  35   9.325   0.917  -2.736
  282   2HG   ABA  35          2HG       ABA  35   8.053  -0.086  -2.094
  283   3HG   ABA  35          3HG       ABA  35   8.611   1.314  -1.183
  Start of MODEL   16
    1   1H    ARG   1          1H        ARG   1  -4.359  11.353   9.639
    2   2H    ARG   1          2H        ARG   1  -5.617  12.474   9.422
    3   3H    ARG   1          3H        ARG   1  -4.063  12.822   8.830
    4    HA   ARG   1           HA       ARG   1  -4.852  10.381   7.714
    5   1HB   ARG   1          2HB       ARG   1  -6.708  11.558   6.253
    6   2HB   ARG   1          1HB       ARG   1  -7.213  10.847   7.749
    7   1HG   ARG   1          2HG       ARG   1  -6.528  13.638   8.372
    8   2HG   ARG   1          1HG       ARG   1  -7.292  13.629   6.815
    9   1HD   ARG   1          2HD       ARG   1  -8.986  13.867   8.622
   10   2HD   ARG   1          1HD       ARG   1  -9.255  12.426   7.661
   11    HE   ARG   1           HE       ARG   1  -8.003  11.175   9.560
   12   1HH1  ARG   1          2HH1      ARG   1  -7.507  13.692  11.117
   13   2HH1  ARG   1          1HH1      ARG   1  -8.758  13.681  12.293
   14   1HH2  ARG   1          2HH2      ARG   1 -10.612  11.284  10.454
   15   2HH2  ARG   1          1HH2      ARG   1 -10.639  12.223  11.891
   16    H    SER   2           H        SER   2  -2.655  11.537   7.834
   17    HA   SER   2           HA       SER   2  -2.266  12.877   5.268
   18   1HB   SER   2          2HB       SER   2  -0.605  13.649   7.731
   19   2HB   SER   2          1HB       SER   2  -1.027  14.667   6.350
   20    HG   SER   2           HG       SER   2  -2.557  15.349   7.603
   21   1HN   ABA   3           HN       ABA   3   0.601  12.948   5.725
   22    HA   ABA   3           HA       ABA   3   1.523  10.599   4.704
   23   1HB   ABA   3          1HB       ABA   3   3.083  12.394   4.841
   24   2HB   ABA   3          2HB       ABA   3   3.723  11.216   5.963
   25   1HG   ABA   3          1HG       ABA   3   3.573  12.622   7.688
   26   2HG   ABA   3          2HG       ABA   3   1.876  12.934   7.421
   27   3HG   ABA   3          3HG       ABA   3   3.090  13.893   6.583
   28    H    ILE   4           H        ILE   4   2.905   8.826   5.653
   29    HA   ILE   4           HA       ILE   4   1.741   7.870   8.209
   30    HB   ILE   4           HB       ILE   4   1.196   6.206   6.700
   31   1HG1  ILE   4          2HG1      ILE   4   3.435   5.345   8.091
   32   2HG1  ILE   4          1HG1      ILE   4   2.315   4.359   7.205
   33   1HG2  ILE   4          1HG2      ILE   4   3.431   7.157   4.866
   34   2HG2  ILE   4          2HG2      ILE   4   1.700   7.319   4.699
   35   3HG2  ILE   4          3HG2      ILE   4   2.458   5.742   4.521
   36   1HD1  ILE   4          1HD1      ILE   4   3.760   3.937   5.490
   37   2HD1  ILE   4          2HD1      ILE   4   4.972   4.323   6.707
   38   3HD1  ILE   4          3HD1      ILE   4   4.523   5.503   5.498
   39    H    ASP   5           H        ASP   5   4.636   6.733   6.688
   40    HA   ASP   5           HA       ASP   5   6.392   8.144   8.576
   41   1HB   ASP   5          2HB       ASP   5   6.041   6.235   9.902
   42   2HB   ASP   5          1HB       ASP   5   5.806   5.156   8.552
   43    H    THR   6           H        THR   6   7.291   5.325   6.901
   44    HA   THR   6           HA       THR   6   9.572   5.646   5.771
   45    HB   THR   6           HB       THR   6   8.896   4.186   3.880
   46    HG1  THR   6          1HG       THR   6   6.236   4.317   4.415
   47   1HG2  THR   6          1HG2      THR   6   8.682   3.244   6.258
   48   2HG2  THR   6          2HG2      THR   6   7.688   2.446   5.062
   49   3HG2  THR   6          3HG2      THR   6   6.977   3.583   6.201
   50    H    ILE   7           H        ILE   7   7.498   6.286   2.942
   51    HA   ILE   7           HA       ILE   7   9.039   8.835   2.595
   52    HB   ILE   7           HB       ILE   7   9.292   8.127   0.138
   53   1HG1  ILE   7          2HG1      ILE   7   7.656   6.184   0.322
   54   2HG1  ILE   7          1HG1      ILE   7   9.178   5.862  -0.471
   55   1HG2  ILE   7          1HG2      ILE   7  10.845   7.093   2.478
   56   2HG2  ILE   7          2HG2      ILE   7  11.328   8.200   1.217
   57   3HG2  ILE   7          3HG2      ILE   7  11.274   6.471   0.898
   58   1HD1  ILE   7          1HD1      ILE   7   9.387   4.049   0.818
   59   2HD1  ILE   7          2HD1      ILE   7   8.077   4.549   1.856
   60   3HD1  ILE   7          3HD1      ILE   7   9.715   5.116   2.168
   61    HA   PRO   8           HA       PRO   8   4.674   9.498   1.069
   62   1HB   PRO   8          2HB       PRO   8   3.433  10.642   3.202
   63   2HB   PRO   8          1HB       PRO   8   3.489   8.890   3.004
   64   1HG   PRO   8          2HG       PRO   8   5.301  10.690   4.683
   65   2HG   PRO   8          1HG       PRO   8   4.625   9.138   5.177
   66   1HD   PRO   8          2HD       PRO   8   7.190   9.449   4.274
   67   2HD   PRO   8          1HD       PRO   8   6.277   7.943   4.092
   68    H    LYS   9           H        LYS   9   5.580  11.118  -0.210
   69    HA   LYS   9           HA       LYS   9   6.763  13.501   1.014
   70   1HB   LYS   9          2HB       LYS   9   7.391  12.317  -1.252
   71   2HB   LYS   9          1HB       LYS   9   6.024  13.210  -1.926
   72   1HG   LYS   9          2HG       LYS   9   7.019  15.331  -1.455
   73   2HG   LYS   9          1HG       LYS   9   8.150  14.651  -0.315
   74   1HD   LYS   9          2HD       LYS   9   9.399  15.236  -2.264
   75   2HD   LYS   9          1HD       LYS   9   9.369  13.497  -2.192
   76   1HE   LYS   9          2HE       LYS   9   7.265  15.009  -3.817
   77   2HE   LYS   9          1HE       LYS   9   8.869  14.769  -4.485
   78   1HZ   LYS   9          1HZ       LYS   9   7.989  12.318  -3.432
   79   2HZ   LYS   9          2HZ       LYS   9   8.291  12.701  -5.055
   80   3HZ   LYS   9          3HZ       LYS   9   6.748  12.935  -4.391
   81    H    SER  10           H        SER  10   3.957  12.870   1.450
   82    HA   SER  10           HA       SER  10   2.835  15.433   1.683
   83   1HB   SER  10          2HB       SER  10   2.414  14.169  -1.021
   84   2HB   SER  10          1HB       SER  10   0.931  14.810  -0.301
   85    HG   SER  10           HG       SER  10   3.367  16.141  -0.744
   86    H    ARG  11           H        ARG  11   0.341  13.380   0.557
   87    HA   ARG  11           HA       ARG  11  -0.140  12.298   3.254
   88   1HB   ARG  11          2HB       ARG  11  -2.594  12.761   2.625
   89   2HB   ARG  11          1HB       ARG  11  -1.637  14.126   3.170
   90   1HG   ARG  11          2HG       ARG  11  -1.201  14.338   0.475
   91   2HG   ARG  11          1HG       ARG  11  -2.670  13.408   0.435
   92   1HD   ARG  11          2HD       ARG  11  -3.460  15.678   0.438
   93   2HD   ARG  11          1HD       ARG  11  -3.569  15.262   2.145
   94    HE   ARG  11           HE       ARG  11  -1.134  16.279   2.226
   95   1HH1  ARG  11          2HH1      ARG  11  -3.578  18.044   2.383
   96   2HH1  ARG  11          1HH1      ARG  11  -3.210  19.348   1.327
   97   1HH2  ARG  11          1HH2      ARG  11  -0.566  17.487  -0.139
   98   2HH2  ARG  11          2HH2      ARG  11  -1.373  19.007  -0.204
   99    H    CYS  12           H        CYS  12   1.088  10.698   1.745
  100    HA   CYS  12           HA       CYS  12  -0.930   8.934   0.482
  101   1HB   CYS  12          2HB       CYS  12   0.666   8.106  -0.977
  102   2HB   CYS  12          1HB       CYS  12   1.328   9.685  -0.852
  103    H    THR  13           H        THR  13  -1.140   6.923   1.457
  104    HA   THR  13           HA       THR  13   0.764   6.008   3.424
  105    HB   THR  13           HB       THR  13  -0.696   6.217   5.257
  106    HG1  THR  13          1HG       THR  13  -3.153   6.298   4.543
  107   1HG2  THR  13          1HG2      THR  13  -1.860   8.239   3.313
  108   2HG2  THR  13          2HG2      THR  13  -0.897   8.562   4.720
  109   3HG2  THR  13          3HG2      THR  13  -2.564   8.072   4.896
  110    H    ALA  14           H        ALA  14   0.054   3.713   4.037
  111    HA   ALA  14           HA       ALA  14  -0.712   2.482   1.501
  112   1HB   ALA  14          1HB       ALA  14  -0.568   0.572   3.713
  113   2HB   ALA  14          2HB       ALA  14   0.787   1.692   3.847
  114   3HB   ALA  14          3HB       ALA  14   0.530   0.784   2.362
  115    H    PHE  15           H        PHE  15  -2.283   4.008   3.827
  116    HA   PHE  15           HA       PHE  15  -4.640   2.338   4.087
  117   1HB   PHE  15          2HB       PHE  15  -4.475   5.001   5.360
  118   2HB   PHE  15          1HB       PHE  15  -5.038   3.453   5.946
  119    HD1  PHE  15          1HD       PHE  15  -2.827   1.653   5.743
  120    HD2  PHE  15          2HD       PHE  15  -2.821   5.760   6.852
  121    HE1  PHE  15          1HE       PHE  15  -0.748   1.325   6.941
  122    HE2  PHE  15          2HE       PHE  15  -0.750   5.454   8.050
  123    HZ   PHE  15           HZ       PHE  15   0.330   3.224   8.133
  124    H    GLN  16           H        GLN  16  -3.317   4.377   1.980
  125    HA   GLN  16           HA       GLN  16  -5.920   5.169   0.894
  126   1HB   GLN  16          2HB       GLN  16  -4.129   7.485   0.581
  127   2HB   GLN  16          1HB       GLN  16  -5.778   7.398   1.166
  128   1HG   GLN  16          2HG       GLN  16  -4.837   6.567   3.363
  129   2HG   GLN  16          1HG       GLN  16  -3.262   6.943   2.651
  130   1HE2  GLN  16          1HE2      GLN  16  -6.425   8.402   3.426
  131   2HE2  GLN  16          2HE2      GLN  16  -5.773   9.970   3.669
  132    H    CYS  17           H        CYS  17  -2.459   5.749   0.375
  133    HA   CYS  17           HA       CYS  17  -2.245   6.171  -2.313
  134   1HB   CYS  17          2HB       CYS  17  -0.235   5.393  -0.503
  135   2HB   CYS  17          1HB       CYS  17  -0.427   3.940  -1.376
  136    H    LYS  18           H        LYS  18  -2.484   3.096  -0.823
  137    HA   LYS  18           HA       LYS  18  -4.111   2.094  -2.955
  138   1HB   LYS  18          2HB       LYS  18  -1.746   2.186  -4.016
  139   2HB   LYS  18          1HB       LYS  18  -1.300   0.910  -2.923
  140   1HG   LYS  18          2HG       LYS  18  -1.970   0.001  -5.158
  141   2HG   LYS  18          1HG       LYS  18  -3.001  -0.591  -3.877
  142   1HD   LYS  18          2HD       LYS  18  -4.001   1.934  -5.123
  143   2HD   LYS  18          1HD       LYS  18  -3.914   0.611  -6.254
  144   1HE   LYS  18          2HE       LYS  18  -5.274   0.273  -3.519
  145   2HE   LYS  18          1HE       LYS  18  -6.145   0.895  -4.900
  146   1HZ   LYS  18          1HZ       LYS  18  -4.794  -1.444  -5.701
  147   2HZ   LYS  18          2HZ       LYS  18  -6.472  -1.209  -5.529
  148   3HZ   LYS  18          3HZ       LYS  18  -5.605  -1.779  -4.239
  149    H    HIS  19           H        HIS  19  -5.117   1.680  -0.799
  150    HA   HIS  19           HA       HIS  19  -4.622   0.024   1.190
  151   1HB   HIS  19          2HB       HIS  19  -7.074  -0.062  -0.620
  152   2HB   HIS  19          1HB       HIS  19  -6.995  -0.768   0.977
  153    HD1  HIS  19          1HD       HIS  19  -7.132   0.814   2.951
  154    HD2  HIS  19          2HD       HIS  19  -7.099   2.694  -0.773
  155    HE1  HIS  19          1HE       HIS  19  -7.738   3.196   3.224
  156    H    SER  20           H        SER  20  -6.044  -1.370  -1.723
  157    HA   SER  20           HA       SER  20  -5.123  -3.993  -1.003
  158   1HB   SER  20          2HB       SER  20  -6.262  -4.376  -3.432
  159   2HB   SER  20          1HB       SER  20  -7.255  -4.012  -2.012
  160    HG   SER  20           HG       SER  20  -7.840  -2.374  -3.224
  161    H    ALA  21           H        ALA  21  -3.038  -2.917  -1.125
  162    HA   ALA  21           HA       ALA  21  -1.376  -4.438  -2.806
  163   1HB   ALA  21          1HB       ALA  21  -1.072  -1.550  -3.633
  164   2HB   ALA  21          2HB       ALA  21  -2.290  -2.496  -4.490
  165   3HB   ALA  21          3HB       ALA  21  -0.607  -2.982  -4.514
  166    H    LYS  22           H        LYS  22  -1.909  -2.340  -0.269
  167    HA   LYS  22           HA       LYS  22   0.669  -1.178   0.004
  168   1HB   LYS  22          2HB       LYS  22   0.425  -1.393   2.499
  169   2HB   LYS  22          1HB       LYS  22  -1.046  -0.772   1.779
  170   1HG   LYS  22          2HG       LYS  22  -2.063  -3.062   1.984
  171   2HG   LYS  22          1HG       LYS  22  -0.582  -3.609   2.800
  172   1HD   LYS  22          2HD       LYS  22  -0.884  -1.761   4.488
  173   2HD   LYS  22          1HD       LYS  22  -2.441  -1.425   3.767
  174   1HE   LYS  22          2HE       LYS  22  -3.307  -2.970   5.232
  175   2HE   LYS  22          1HE       LYS  22  -2.616  -4.188   4.189
  176   1HZ   LYS  22          1HZ       LYS  22  -1.243  -4.789   5.832
  177   2HZ   LYS  22          2HZ       LYS  22  -1.964  -3.676   6.856
  178   3HZ   LYS  22          3HZ       LYS  22  -0.601  -3.225   5.967
  179    H    TYR  23           H        TYR  23  -0.358  -4.314   1.028
  180    HA   TYR  23           HA       TYR  23   2.135  -5.433   1.810
  181   1HB   TYR  23          2HB       TYR  23   0.805  -7.661   1.383
  182   2HB   TYR  23          1HB       TYR  23   0.155  -6.561   2.580
  183    HD1  TYR  23          1HD       TYR  23  -0.336  -7.869  -0.875
  184    HD2  TYR  23          2HD       TYR  23  -1.859  -5.261   2.117
  185    HE1  TYR  23          1HE       TYR  23  -2.444  -7.649  -2.110
  186    HE2  TYR  23          2HE       TYR  23  -3.941  -5.032   0.874
  187    HH   TYR  23           HH       TYR  23  -4.697  -6.994  -1.848
  188    H    ARG  24           H        ARG  24   1.405  -4.484  -1.184
  189    HA   ARG  24           HA       ARG  24   2.952  -6.577  -2.541
  190   1HB   ARG  24          2HB       ARG  24   0.621  -4.968  -3.205
  191   2HB   ARG  24          1HB       ARG  24   1.814  -4.936  -4.472
  192   1HG   ARG  24          2HG       ARG  24   1.536  -7.213  -4.944
  193   2HG   ARG  24          1HG       ARG  24   1.247  -7.637  -3.271
  194   1HD   ARG  24          2HD       ARG  24  -0.784  -7.829  -4.806
  195   2HD   ARG  24          1HD       ARG  24  -0.961  -6.909  -3.310
  196    HE   ARG  24           HE       ARG  24  -1.214  -4.912  -4.570
  197   1HH1  ARG  24          1HH2      ARG  24   1.148  -5.167  -6.187
  198   2HH1  ARG  24          2HH2      ARG  24   0.550  -5.314  -7.796
  199   1HH2  ARG  24          2HH1      ARG  24  -2.661  -6.210  -6.555
  200   2HH2  ARG  24          1HH1      ARG  24  -1.798  -6.006  -8.030
  201    H    LEU  25           H        LEU  25   2.623  -3.030  -2.504
  202    HA   LEU  25           HA       LEU  25   5.112  -2.849  -4.051
  203   1HB   LEU  25          2HB       LEU  25   4.541  -0.304  -2.763
  204   2HB   LEU  25          1HB       LEU  25   4.457  -0.771  -4.414
  205    HG   LEU  25           HG       LEU  25   2.360   0.145  -3.955
  206   1HD1  LEU  25          1HD1      LEU  25   2.579  -2.199  -5.209
  207   2HD1  LEU  25          2HD1      LEU  25   1.057  -1.340  -5.010
  208   3HD1  LEU  25          3HD1      LEU  25   1.460  -2.666  -3.947
  209   1HD2  LEU  25          1HD2      LEU  25   2.335   0.132  -1.658
  210   2HD2  LEU  25          2HD2      LEU  25   2.292  -1.612  -1.550
  211   3HD2  LEU  25          3HD2      LEU  25   0.914  -0.745  -2.199
  212    H    SER  26           H        SER  26   3.955  -1.768  -1.013
  213    HA   SER  26           HA       SER  26   5.652  -3.053   0.782
  214   1HB   SER  26          2HB       SER  26   6.815  -0.476  -0.399
  215   2HB   SER  26          1HB       SER  26   6.974  -0.700   1.348
  216    HG   SER  26           HG       SER  26   7.718  -2.517  -0.697
  217    H    PHE  27           H        PHE  27   4.551   0.145   0.003
  218    HA   PHE  27           HA       PHE  27   2.317  -0.003   1.818
  219   1HB   PHE  27          2HB       PHE  27   4.608   1.908   2.349
  220   2HB   PHE  27          1HB       PHE  27   3.001   2.074   3.009
  221    HD1  PHE  27          1HD       PHE  27   6.196   0.573   3.409
  222    HD2  PHE  27          2HD       PHE  27   2.086  -0.017   4.379
  223    HE1  PHE  27          1HE       PHE  27   6.837  -1.000   5.148
  224    HE2  PHE  27          2HE       PHE  27   2.726  -1.589   6.125
  225    HZ   PHE  27           HZ       PHE  27   5.108  -2.096   6.532
  226    H    CYS  28           H        CYS  28   4.260   2.573   0.368
  227    HA   CYS  28           HA       CYS  28   1.842   3.810  -0.832
  228   1HB   CYS  28          2HB       CYS  28   4.186   4.730   0.441
  229   2HB   CYS  28          1HB       CYS  28   3.863   5.685  -0.915
  230    H    ARG  29           H        ARG  29   1.693   3.796  -2.725
  231    HA   ARG  29           HA       ARG  29   3.847   4.165  -4.697
  232   1HB   ARG  29          2HB       ARG  29   3.488   1.712  -4.171
  233   2HB   ARG  29          1HB       ARG  29   2.094   1.777  -5.233
  234   1HG   ARG  29          2HG       ARG  29   4.913   2.771  -5.951
  235   2HG   ARG  29          1HG       ARG  29   4.434   1.120  -6.167
  236   1HD   ARG  29          2HD       ARG  29   3.159   3.460  -7.596
  237   2HD   ARG  29          1HD       ARG  29   4.184   2.215  -8.287
  238    HE   ARG  29           HE       ARG  29   1.491   1.669  -7.076
  239   1HH1  ARG  29          2HH1      ARG  29   1.593   1.733  -9.937
  240   2HH1  ARG  29          1HH1      ARG  29   1.872   0.108 -10.437
  241   1HH2  ARG  29          1HH2      ARG  29   3.062  -0.703  -7.148
  242   2HH2  ARG  29          2HH2      ARG  29   2.780  -1.377  -8.709
  243    H    LYS  30           H        LYS  30   0.493   3.032  -5.357
  244    HA   LYS  30           HA       LYS  30   0.162   4.376  -7.756
  245   1HB   LYS  30          2HB       LYS  30  -1.662   3.365  -5.670
  246   2HB   LYS  30          1HB       LYS  30  -2.400   4.640  -6.567
  247   1HG   LYS  30          2HG       LYS  30  -1.071   2.198  -7.866
  248   2HG   LYS  30          1HG       LYS  30  -2.774   2.276  -7.505
  249   1HD   LYS  30          2HD       LYS  30  -1.256   4.079  -9.463
  250   2HD   LYS  30          1HD       LYS  30  -2.367   2.802  -9.862
  251   1HE   LYS  30          2HE       LYS  30  -3.820   4.579 -10.077
  252   2HE   LYS  30          1HE       LYS  30  -4.107   4.196  -8.387
  253   1HZ   LYS  30          1HZ       LYS  30  -1.877   5.945  -8.554
  254   2HZ   LYS  30          2HZ       LYS  30  -3.369   6.253  -7.849
  255   3HZ   LYS  30          3HZ       LYS  30  -3.112   6.586  -9.483
  256    H    THR  31           H        THR  31  -0.072   5.909  -4.717
  257    HA   THR  31           HA       THR  31  -0.713   8.611  -5.810
  258    HB   THR  31           HB       THR  31  -0.858   7.428  -3.112
  259    HG1  THR  31          1HG       THR  31  -3.293   7.754  -4.243
  260   1HG2  THR  31          1HG2      THR  31  -2.343   9.838  -4.379
  261   2HG2  THR  31          2HG2      THR  31  -1.074   9.970  -3.174
  262   3HG2  THR  31          3HG2      THR  31  -2.624   9.276  -2.727
  263    H    CYS  32           H        CYS  32   1.608   6.722  -4.878
  264    HA   CYS  32           HA       CYS  32   3.345   8.777  -3.616
  265   1HB   CYS  32          2HB       CYS  32   3.631   5.820  -3.671
  266   2HB   CYS  32          1HB       CYS  32   4.345   6.954  -2.565
  267    H    GLY  33           H        GLY  33   5.472   8.929  -4.058
  268   1HA   GLY  33          2HA       GLY  33   6.187   8.345  -6.913
  269   2HA   GLY  33          1HA       GLY  33   6.729   9.774  -6.042
  270    H    THR  34           H        THR  34   6.562   6.523  -4.755
  271    HA   THR  34           HA       THR  34   9.539   6.456  -4.656
  272    HB   THR  34           HB       THR  34   8.984   6.647  -2.363
  273    HG1  THR  34          1HG       THR  34   9.660   4.652  -1.873
  274   1HG2  THR  34          1HG2      THR  34   6.313   5.369  -3.112
  275   2HG2  THR  34          2HG2      THR  34   6.622   6.814  -2.153
  276   3HG2  THR  34          3HG2      THR  34   6.882   5.217  -1.476
  277   1HN   ABA  35           HN       ABA  35   7.570   3.791  -3.664
  278    HA   ABA  35           HA       ABA  35   7.435   2.432  -6.206
  279   1HB   ABA  35          1HB       ABA  35   9.497   1.371  -4.235
  280   2HB   ABA  35          2HB       ABA  35   9.955   2.349  -5.625
  281   1HG   ABA  35          1HG       ABA  35  10.219  -0.041  -6.181
  282   2HG   ABA  35          2HG       ABA  35   8.894   0.617  -7.132
  283   3HG   ABA  35          3HG       ABA  35   8.554  -0.361  -5.711
  Start of MODEL   17
    1   1H    ARG   1          1H        ARG   1  -5.720  10.578   6.698
    2   2H    ARG   1          2H        ARG   1  -4.078  10.978   6.669
    3   3H    ARG   1          3H        ARG   1  -4.694   9.819   5.569
    4    HA   ARG   1           HA       ARG   1  -5.040  11.448   4.070
    5   1HB   ARG   1          2HB       ARG   1  -7.284  11.675   5.561
    6   2HB   ARG   1          1HB       ARG   1  -6.486  13.056   6.254
    7   1HG   ARG   1          2HG       ARG   1  -7.469  14.233   4.611
    8   2HG   ARG   1          1HG       ARG   1  -6.135  13.710   3.637
    9   1HD   ARG   1          2HD       ARG   1  -8.683  13.460   2.815
   10   2HD   ARG   1          1HD       ARG   1  -7.485  12.276   2.342
   11    HE   ARG   1           HE       ARG   1  -8.389  10.779   4.154
   12   1HH1  ARG   1          2HH2      ARG   1 -10.424  11.264   2.141
   13   2HH1  ARG   1          1HH2      ARG   1 -11.858  11.646   3.026
   14   1HH2  ARG   1          2HH1      ARG   1  -9.823  12.310   5.902
   15   2HH2  ARG   1          1HH1      ARG   1 -11.474  12.257   5.412
   16    H    SER   2           H        SER   2  -2.748  11.202   5.198
   17    HA   SER   2           HA       SER   2  -1.507  13.735   5.057
   18   1HB   SER   2          2HB       SER   2  -0.630  13.179   7.652
   19   2HB   SER   2          1HB       SER   2  -2.018  14.234   7.352
   20    HG   SER   2           HG       SER   2  -2.013  11.920   8.579
   21   1HN   ABA   3           HN       ABA   3   0.970  12.904   6.180
   22    HA   ABA   3           HA       ABA   3   1.586  10.634   4.438
   23   1HB   ABA   3          1HB       ABA   3   3.533  11.924   4.423
   24   2HB   ABA   3          2HB       ABA   3   3.904  11.113   5.931
   25   1HG   ABA   3          1HG       ABA   3   2.618  13.847   5.612
   26   2HG   ABA   3          2HG       ABA   3   4.202  13.481   6.260
   27   3HG   ABA   3          3HG       ABA   3   2.778  13.013   7.169
   28    H    ILE   4           H        ILE   4   3.111   8.879   5.760
   29    HA   ILE   4           HA       ILE   4   1.682   8.228   8.284
   30    HB   ILE   4           HB       ILE   4   0.885   6.573   6.944
   31   1HG1  ILE   4          2HG1      ILE   4   3.017   5.485   8.334
   32   2HG1  ILE   4          1HG1      ILE   4   1.753   4.599   7.539
   33   1HG2  ILE   4          1HG2      ILE   4   1.398   7.406   4.827
   34   2HG2  ILE   4          2HG2      ILE   4   1.944   5.738   4.775
   35   3HG2  ILE   4          3HG2      ILE   4   3.104   7.033   4.945
   36   1HD1  ILE   4          1HD1      ILE   4   3.090   3.929   5.780
   37   2HD1  ILE   4          2HD1      ILE   4   4.358   4.134   6.982
   38   3HD1  ILE   4          3HD1      ILE   4   4.067   5.364   5.780
   39    H    ASP   5           H        ASP   5   4.400   6.786   6.699
   40    HA   ASP   5           HA       ASP   5   6.312   7.910   8.638
   41   1HB   ASP   5          2HB       ASP   5   6.189   5.969   9.858
   42   2HB   ASP   5          1HB       ASP   5   5.272   5.138   8.639
   43    H    THR   6           H        THR   6   6.888   5.227   6.498
   44    HA   THR   6           HA       THR   6   9.170   5.375   5.414
   45    HB   THR   6           HB       THR   6   7.669   3.700   4.672
   46    HG1  THR   6          1HG       THR   6   8.347   3.746   2.673
   47   1HG2  THR   6          1HG2      THR   6   5.719   5.884   4.452
   48   2HG2  THR   6          2HG2      THR   6   5.443   4.154   4.476
   49   3HG2  THR   6          3HG2      THR   6   5.732   4.973   2.955
   50    H    ILE   7           H        ILE   7   7.745   6.397   2.512
   51    HA   ILE   7           HA       ILE   7   9.207   9.012   2.632
   52    HB   ILE   7           HB       ILE   7   9.855   8.409   0.176
   53   1HG1  ILE   7          2HG1      ILE   7   9.646   5.523   1.126
   54   2HG1  ILE   7          1HG1      ILE   7   8.231   6.272   0.416
   55   1HG2  ILE   7          1HG2      ILE   7  11.634   8.523   1.738
   56   2HG2  ILE   7          2HG2      ILE   7  11.772   6.869   1.155
   57   3HG2  ILE   7          3HG2      ILE   7  11.007   7.192   2.699
   58   1HD1  ILE   7          1HD1      ILE   7  10.868   5.728  -0.908
   59   2HD1  ILE   7          2HD1      ILE   7   9.804   6.991  -1.519
   60   3HD1  ILE   7          3HD1      ILE   7   9.242   5.335  -1.438
   61    HA   PRO   8           HA       PRO   8   5.005   9.412   0.575
   62   1HB   PRO   8          2HB       PRO   8   3.387  10.237   2.583
   63   2HB   PRO   8          1HB       PRO   8   3.699   8.515   2.330
   64   1HG   PRO   8          2HG       PRO   8   5.077  10.369   4.317
   65   2HG   PRO   8          1HG       PRO   8   4.479   8.722   4.583
   66   1HD   PRO   8          2HD       PRO   8   7.103   9.284   4.089
   67   2HD   PRO   8          1HD       PRO   8   6.291   7.771   3.642
   68    H    LYS   9           H        LYS   9   6.149  11.121  -0.378
   69    HA   LYS   9           HA       LYS   9   6.842  13.517   1.092
   70   1HB   LYS   9          2HB       LYS   9   7.699  12.556  -1.279
   71   2HB   LYS   9          1HB       LYS   9   6.445  13.622  -1.905
   72   1HG   LYS   9          2HG       LYS   9   7.437  15.559  -0.960
   73   2HG   LYS   9          1HG       LYS   9   8.448  14.649   0.137
   74   1HD   LYS   9          2HD       LYS   9  10.138  14.451  -1.354
   75   2HD   LYS   9          1HD       LYS   9   9.068  13.840  -2.605
   76   1HE   LYS   9          2HE       LYS   9   8.411  16.146  -3.221
   77   2HE   LYS   9          1HE       LYS   9   9.383  16.799  -1.908
   78   1HZ   LYS   9          1HZ       LYS   9  11.026  15.116  -3.445
   79   2HZ   LYS   9          2HZ       LYS   9  11.143  16.802  -3.268
   80   3HZ   LYS   9          3HZ       LYS   9  10.205  16.136  -4.514
   81    H    SER  10           H        SER  10   4.058  12.888   1.392
   82    HA   SER  10           HA       SER  10   2.859  15.419   1.465
   83   1HB   SER  10          2HB       SER  10   2.522  13.996  -1.174
   84   2HB   SER  10          1HB       SER  10   1.020  14.655  -0.498
   85    HG   SER  10           HG       SER  10   3.446  15.984  -0.965
   86    H    ARG  11           H        ARG  11   0.523  13.175   0.348
   87    HA   ARG  11           HA       ARG  11   0.093  12.209   3.074
   88   1HB   ARG  11          2HB       ARG  11  -2.400  12.542   2.428
   89   2HB   ARG  11          1HB       ARG  11  -1.482  13.921   2.972
   90   1HG   ARG  11          2HG       ARG  11  -1.061  14.234   0.305
   91   2HG   ARG  11          1HG       ARG  11  -2.470  13.202   0.206
   92   1HD   ARG  11          2HD       ARG  11  -3.213  15.560   0.267
   93   2HD   ARG  11          1HD       ARG  11  -3.651  14.817   1.804
   94    HE   ARG  11           HE       ARG  11  -1.235  15.803   2.489
   95   1HH1  ARG  11          1HH2      ARG  11  -3.792  17.276   2.843
   96   2HH1  ARG  11          2HH2      ARG  11  -3.433  18.846   2.230
   97   1HH2  ARG  11          2HH1      ARG  11  -0.522  17.593   0.602
   98   2HH2  ARG  11          1HH1      ARG  11  -1.397  19.043   0.890
   99    H    CYS  12           H        CYS  12   1.343  10.628   1.445
  100    HA   CYS  12           HA       CYS  12  -0.645   8.831   0.226
  101   1HB   CYS  12          2HB       CYS  12   0.982   8.176  -1.189
  102   2HB   CYS  12          1HB       CYS  12   1.684   9.689  -0.803
  103    H    THR  13           H        THR  13  -1.218   7.053   1.323
  104    HA   THR  13           HA       THR  13   0.519   5.844   3.313
  105    HB   THR  13           HB       THR  13  -0.885   6.315   5.118
  106    HG1  THR  13          1HG       THR  13  -3.359   6.583   4.338
  107   1HG2  THR  13          1HG2      THR  13  -0.778   8.566   4.165
  108   2HG2  THR  13          2HG2      THR  13  -2.371   8.308   4.879
  109   3HG2  THR  13          3HG2      THR  13  -2.152   8.231   3.131
  110    H    ALA  14           H        ALA  14  -0.254   3.664   3.817
  111    HA   ALA  14           HA       ALA  14  -1.332   2.517   1.378
  112   1HB   ALA  14          1HB       ALA  14  -1.221   0.360   2.999
  113   2HB   ALA  14          2HB       ALA  14  -0.300   1.419   4.045
  114   3HB   ALA  14          3HB       ALA  14   0.285   1.059   2.433
  115    H    PHE  15           H        PHE  15  -2.706   4.190   3.774
  116    HA   PHE  15           HA       PHE  15  -5.093   2.574   4.191
  117   1HB   PHE  15          2HB       PHE  15  -4.714   5.307   5.321
  118   2HB   PHE  15          1HB       PHE  15  -5.372   3.850   6.035
  119    HD1  PHE  15          1HD       PHE  15  -2.963   5.989   6.792
  120    HD2  PHE  15          2HD       PHE  15  -3.263   1.877   5.724
  121    HE1  PHE  15          1HE       PHE  15  -0.862   5.568   7.892
  122    HE2  PHE  15          2HE       PHE  15  -1.154   1.430   6.812
  123    HZ   PHE  15           HZ       PHE  15   0.090   3.268   7.937
  124    H    GLN  16           H        GLN  16  -3.707   4.486   1.984
  125    HA   GLN  16           HA       GLN  16  -6.284   5.255   0.833
  126   1HB   GLN  16          2HB       GLN  16  -4.570   7.476   0.403
  127   2HB   GLN  16          1HB       GLN  16  -6.181   7.427   1.088
  128   1HG   GLN  16          2HG       GLN  16  -5.221   6.860   3.307
  129   2HG   GLN  16          1HG       GLN  16  -3.640   6.889   2.512
  130   1HE2  GLN  16          1HE2      GLN  16  -4.767   9.143   0.796
  131   2HE2  GLN  16          2HE2      GLN  16  -4.553  10.534   1.731
  132    H    CYS  17           H        CYS  17  -2.902   5.941   0.300
  133    HA   CYS  17           HA       CYS  17  -2.582   6.367  -2.322
  134   1HB   CYS  17          2HB       CYS  17  -0.635   5.515  -0.482
  135   2HB   CYS  17          1HB       CYS  17  -0.810   4.101  -1.409
  136    H    LYS  18           H        LYS  18  -2.888   3.296  -1.004
  137    HA   LYS  18           HA       LYS  18  -4.339   2.180  -3.173
  138   1HB   LYS  18          2HB       LYS  18  -1.969   2.498  -4.189
  139   2HB   LYS  18          1HB       LYS  18  -1.385   1.398  -2.994
  140   1HG   LYS  18          2HG       LYS  18  -1.734   0.119  -5.074
  141   2HG   LYS  18          1HG       LYS  18  -2.869  -0.378  -3.840
  142   1HD   LYS  18          2HD       LYS  18  -4.040  -0.204  -5.923
  143   2HD   LYS  18          1HD       LYS  18  -4.654   0.933  -4.754
  144   1HE   LYS  18          2HE       LYS  18  -3.190   2.734  -5.878
  145   2HE   LYS  18          1HE       LYS  18  -2.871   1.573  -7.169
  146   1HZ   LYS  18          1HZ       LYS  18  -5.125   3.216  -6.784
  147   2HZ   LYS  18          2HZ       LYS  18  -5.605   1.619  -6.594
  148   3HZ   LYS  18          3HZ       LYS  18  -4.883   2.096  -8.052
  149    H    HIS  19           H        HIS  19  -5.357   1.794  -0.992
  150    HA   HIS  19           HA       HIS  19  -4.665   0.410   1.130
  151   1HB   HIS  19          2HB       HIS  19  -7.103  -0.072  -0.633
  152   2HB   HIS  19          1HB       HIS  19  -6.969  -0.679   0.997
  153    HD1  HIS  19          1HD       HIS  19  -7.370   0.970   2.882
  154    HD2  HIS  19          2HD       HIS  19  -7.250   2.725  -0.900
  155    HE1  HIS  19          1HE       HIS  19  -8.127   3.318   3.038
  156    H    SER  20           H        SER  20  -6.084  -1.806  -1.307
  157    HA   SER  20           HA       SER  20  -4.690  -3.978  -0.064
  158   1HB   SER  20          2HB       SER  20  -6.019  -4.412  -2.727
  159   2HB   SER  20          1HB       SER  20  -6.254  -5.274  -1.204
  160    HG   SER  20           HG       SER  20  -7.991  -4.048  -1.042
  161    H    ALA  21           H        ALA  21  -2.640  -2.468  -0.837
  162    HA   ALA  21           HA       ALA  21  -1.304  -4.293  -2.708
  163   1HB   ALA  21          1HB       ALA  21  -2.298  -2.324  -4.009
  164   2HB   ALA  21          2HB       ALA  21  -0.569  -2.559  -4.187
  165   3HB   ALA  21          3HB       ALA  21  -1.155  -1.304  -3.107
  166    H    LYS  22           H        LYS  22  -1.346  -2.545   0.099
  167    HA   LYS  22           HA       LYS  22   1.346  -1.671   0.143
  168   1HB   LYS  22          2HB       LYS  22   1.041  -1.886   2.730
  169   2HB   LYS  22          1HB       LYS  22  -0.289  -1.065   1.928
  170   1HG   LYS  22          2HG       LYS  22  -1.630  -3.128   1.912
  171   2HG   LYS  22          1HG       LYS  22  -0.292  -4.020   2.641
  172   1HD   LYS  22          2HD       LYS  22  -0.529  -3.074   4.698
  173   2HD   LYS  22          1HD       LYS  22  -1.246  -1.592   4.116
  174   1HE   LYS  22          2HE       LYS  22  -3.031  -3.807   3.435
  175   2HE   LYS  22          1HE       LYS  22  -2.541  -4.007   5.105
  176   1HZ   LYS  22          1HZ       LYS  22  -4.013  -2.480   5.665
  177   2HZ   LYS  22          2HZ       LYS  22  -4.437  -2.231   4.051
  178   3HZ   LYS  22          3HZ       LYS  22  -3.217  -1.294   4.748
  179    H    TYR  23           H        TYR  23   0.013  -4.796   0.432
  180    HA   TYR  23           HA       TYR  23   2.533  -6.036   1.329
  181   1HB   TYR  23          2HB       TYR  23   1.144  -8.180   0.861
  182   2HB   TYR  23          1HB       TYR  23   0.573  -7.122   2.136
  183    HD1  TYR  23          1HD       TYR  23  -1.435  -5.766   1.838
  184    HD2  TYR  23          2HD       TYR  23  -0.108  -8.325  -1.292
  185    HE1  TYR  23          1HE       TYR  23  -3.597  -5.546   0.750
  186    HE2  TYR  23          2HE       TYR  23  -2.291  -8.096  -2.387
  187    HH   TYR  23           HH       TYR  23  -4.174  -6.185  -2.317
  188    H    ARG  24           H        ARG  24   1.535  -4.762  -1.446
  189    HA   ARG  24           HA       ARG  24   2.966  -6.639  -3.186
  190   1HB   ARG  24          2HB       ARG  24   0.766  -4.644  -3.560
  191   2HB   ARG  24          1HB       ARG  24   1.791  -5.033  -4.918
  192   1HG   ARG  24          2HG       ARG  24   1.118  -7.352  -4.852
  193   2HG   ARG  24          1HG       ARG  24   0.549  -7.221  -3.207
  194   1HD   ARG  24          2HD       ARG  24  -1.170  -7.269  -5.232
  195   2HD   ARG  24          1HD       ARG  24  -1.468  -6.254  -3.819
  196    HE   ARG  24           HE       ARG  24  -0.892  -4.307  -5.101
  197   1HH1  ARG  24          2HH1      ARG  24  -2.609  -5.484  -7.059
  198   2HH1  ARG  24          1HH1      ARG  24  -1.693  -5.589  -8.507
  199   1HH2  ARG  24          1HH2      ARG  24   1.314  -5.127  -6.635
  200   2HH2  ARG  24          2HH2      ARG  24   0.756  -5.318  -8.241
  201    H    LEU  25           H        LEU  25   2.735  -3.102  -2.614
  202    HA   LEU  25           HA       LEU  25   5.283  -2.868  -4.077
  203   1HB   LEU  25          2HB       LEU  25   4.570  -0.290  -3.131
  204   2HB   LEU  25          1HB       LEU  25   4.527  -0.969  -4.718
  205    HG   LEU  25           HG       LEU  25   2.466  -0.077  -4.526
  206   1HD1  LEU  25          1HD1      LEU  25   1.442  -2.686  -3.915
  207   2HD1  LEU  25          2HD1      LEU  25   2.554  -2.540  -5.264
  208   3HD1  LEU  25          3HD1      LEU  25   1.093  -1.545  -5.186
  209   1HD2  LEU  25          1HD2      LEU  25   2.507   0.339  -2.162
  210   2HD2  LEU  25          2HD2      LEU  25   2.251  -1.362  -1.831
  211   3HD2  LEU  25          3HD2      LEU  25   0.984  -0.433  -2.616
  212    H    SER  26           H        SER  26   3.840  -1.660  -1.121
  213    HA   SER  26           HA       SER  26   5.650  -2.739   0.752
  214   1HB   SER  26          2HB       SER  26   6.571  -0.071  -0.430
  215   2HB   SER  26          1HB       SER  26   6.749  -0.317   1.308
  216    HG   SER  26           HG       SER  26   7.646  -2.092  -0.712
  217    H    PHE  27           H        PHE  27   4.115   0.305  -0.044
  218    HA   PHE  27           HA       PHE  27   2.078   0.002   1.964
  219   1HB   PHE  27          2HB       PHE  27   4.255   2.109   2.342
  220   2HB   PHE  27          1HB       PHE  27   2.679   2.173   3.078
  221    HD1  PHE  27          1HD       PHE  27   2.002   0.001   4.468
  222    HD2  PHE  27          2HD       PHE  27   6.006   1.020   3.421
  223    HE1  PHE  27          1HE       PHE  27   2.827  -1.477   6.208
  224    HE2  PHE  27          2HE       PHE  27   6.843  -0.457   5.165
  225    HZ   PHE  27           HZ       PHE  27   5.263  -1.719   6.588
  226    H    CYS  28           H        CYS  28   3.912   2.449   0.463
  227    HA   CYS  28           HA       CYS  28   1.652   3.869  -0.788
  228   1HB   CYS  28          2HB       CYS  28   4.275   4.501   0.397
  229   2HB   CYS  28          1HB       CYS  28   3.950   5.425  -0.985
  230    H    ARG  29           H        ARG  29   1.908   4.519  -2.928
  231    HA   ARG  29           HA       ARG  29   4.040   3.909  -4.654
  232   1HB   ARG  29          2HB       ARG  29   2.820   1.659  -3.904
  233   2HB   ARG  29          1HB       ARG  29   1.849   1.999  -5.281
  234   1HG   ARG  29          2HG       ARG  29   4.616   2.444  -6.033
  235   2HG   ARG  29          1HG       ARG  29   4.628   0.999  -5.098
  236   1HD   ARG  29          2HD       ARG  29   4.291   0.630  -7.562
  237   2HD   ARG  29          1HD       ARG  29   2.925   0.004  -6.656
  238    HE   ARG  29           HE       ARG  29   1.696   2.098  -7.240
  239   1HH1  ARG  29          1HH2      ARG  29   2.638   0.831  -9.792
  240   2HH1  ARG  29          2HH2      ARG  29   3.318   2.155 -10.658
  241   1HH2  ARG  29          2HH1      ARG  29   3.481   4.094  -7.679
  242   2HH2  ARG  29          1HH1      ARG  29   3.832   4.157  -9.353
  243    H    LYS  30           H        LYS  30   0.505   3.624  -5.016
  244    HA   LYS  30           HA       LYS  30   0.605   4.975  -7.632
  245   1HB   LYS  30          2HB       LYS  30  -1.311   3.534  -7.218
  246   2HB   LYS  30          1HB       LYS  30  -1.698   4.374  -5.727
  247   1HG   LYS  30          2HG       LYS  30  -3.253   4.897  -7.681
  248   2HG   LYS  30          1HG       LYS  30  -2.564   6.296  -6.904
  249   1HD   LYS  30          2HD       LYS  30  -1.047   6.711  -8.725
  250   2HD   LYS  30          1HD       LYS  30  -1.245   5.096  -9.378
  251   1HE   LYS  30          2HE       LYS  30  -3.388   5.575 -10.331
  252   2HE   LYS  30          1HE       LYS  30  -3.697   6.910  -9.242
  253   1HZ   LYS  30          1HZ       LYS  30  -2.640   7.026 -11.837
  254   2HZ   LYS  30          2HZ       LYS  30  -1.423   7.545 -10.770
  255   3HZ   LYS  30          3HZ       LYS  30  -2.943   8.303 -10.778
  256    H    THR  31           H        THR  31  -1.206   6.252  -4.768
  257    HA   THR  31           HA       THR  31  -0.976   8.985  -5.586
  258    HB   THR  31           HB       THR  31  -1.210   7.812  -2.813
  259    HG1  THR  31          1HG       THR  31  -2.783   7.760  -5.092
  260   1HG2  THR  31          1HG2      THR  31  -2.873   9.769  -2.519
  261   2HG2  THR  31          2HG2      THR  31  -2.500  10.330  -4.141
  262   3HG2  THR  31          3HG2      THR  31  -1.272  10.377  -2.890
  263    H    CYS  32           H        CYS  32   1.200   6.914  -4.445
  264    HA   CYS  32           HA       CYS  32   3.114   8.809  -3.270
  265   1HB   CYS  32          2HB       CYS  32   3.498   5.902  -3.592
  266   2HB   CYS  32          1HB       CYS  32   4.070   6.991  -2.365
  267    H    GLY  33           H        GLY  33   2.616   7.317  -6.267
  268   1HA   GLY  33          2HA       GLY  33   4.103   6.858  -8.063
  269   2HA   GLY  33          1HA       GLY  33   4.329   8.592  -7.881
  270    H    THR  34           H        THR  34   5.335   6.246  -5.579
  271    HA   THR  34           HA       THR  34   8.155   7.084  -6.006
  272    HB   THR  34           HB       THR  34   6.914   7.250  -3.753
  273    HG1  THR  34          1HG       THR  34   9.451   6.518  -4.353
  274   1HG2  THR  34          1HG2      THR  34   6.988   5.315  -2.279
  275   2HG2  THR  34          2HG2      THR  34   7.591   4.290  -3.558
  276   3HG2  THR  34          3HG2      THR  34   5.947   4.927  -3.632
  277   1HN   ABA  35           HN       ABA  35   6.374   4.065  -5.644
  278    HA   ABA  35           HA       ABA  35   8.598   2.673  -7.079
  279   1HB   ABA  35          1HB       ABA  35   7.441   0.700  -5.436
  280   2HB   ABA  35          2HB       ABA  35   7.362   2.118  -4.416
  281   1HG   ABA  35          1HG       ABA  35   9.506   1.256  -3.929
  282   2HG   ABA  35          2HG       ABA  35   9.888   2.463  -5.151
  283   3HG   ABA  35          3HG       ABA  35   9.793   0.766  -5.590
  Start of MODEL   18
    1   1H    ARG   1          1H        ARG   1   5.373   6.023   7.226
    2   2H    ARG   1          2H        ARG   1   5.807   5.798   8.840
    3   3H    ARG   1          3H        ARG   1   4.959   7.186   8.367
    4    HA   ARG   1           HA       ARG   1   3.446   4.978   7.542
    5   1HB   ARG   1          2HB       ARG   1   4.921   3.987   9.571
    6   2HB   ARG   1          1HB       ARG   1   3.795   4.896  10.559
    7   1HG   ARG   1          2HG       ARG   1   1.901   3.684   9.815
    8   2HG   ARG   1          1HG       ARG   1   2.706   3.089   8.382
    9   1HD   ARG   1          2HD       ARG   1   2.999   2.087  11.208
   10   2HD   ARG   1          1HD       ARG   1   2.603   1.179   9.767
   11    HE   ARG   1           HE       ARG   1   5.060   1.967   9.075
   12   1HH1  ARG   1          2HH2      ARG   1   5.506   2.728  11.927
   13   2HH1  ARG   1          1HH2      ARG   1   6.231   1.338  12.657
   14   1HH2  ARG   1          2HH1      ARG   1   5.182  -0.634   9.862
   15   2HH2  ARG   1          1HH1      ARG   1   6.037  -0.753  11.356
   16    H    SER   2           H        SER   2   2.627   7.150   6.928
   17    HA   SER   2           HA       SER   2   0.383   7.955   8.346
   18   1HB   SER   2          2HB       SER   2   1.951   9.006  10.059
   19   2HB   SER   2          1HB       SER   2   2.891   9.771   8.774
   20    HG   SER   2           HG       SER   2   0.708  10.709   9.971
   21   1HN   ABA   3           HN       ABA   3   0.714  10.684   7.344
   22    HA   ABA   3           HA       ABA   3  -0.084  10.487   4.587
   23   1HB   ABA   3          1HB       ABA   3  -0.589  12.448   5.811
   24   2HB   ABA   3          2HB       ABA   3   0.561  12.933   4.570
   25   1HG   ABA   3          1HG       ABA   3   1.839  12.249   7.195
   26   2HG   ABA   3          2HG       ABA   3   0.799  13.652   7.204
   27   3HG   ABA   3          3HG       ABA   3   2.141  13.571   6.082
   28    H    ILE   4           H        ILE   4   2.950  10.573   6.029
   29    HA   ILE   4           HA       ILE   4   4.399  11.029   3.601
   30    HB   ILE   4           HB       ILE   4   6.237  11.246   5.065
   31   1HG1  ILE   4          2HG1      ILE   4   6.101  10.239   7.500
   32   2HG1  ILE   4          1HG1      ILE   4   4.786   9.263   6.883
   33   1HG2  ILE   4          1HG2      ILE   4   4.076  11.710   7.120
   34   2HG2  ILE   4          2HG2      ILE   4   4.200  12.720   5.685
   35   3HG2  ILE   4          3HG2      ILE   4   5.539  12.627   6.829
   36   1HD1  ILE   4          1HD1      ILE   4   6.947   9.101   4.987
   37   2HD1  ILE   4          2HD1      ILE   4   6.328   7.829   6.005
   38   3HD1  ILE   4          3HD1      ILE   4   7.621   8.862   6.582
   39    H    ASP   5           H        ASP   5   3.294   8.633   5.487
   40    HA   ASP   5           HA       ASP   5   3.301   6.243   5.562
   41   1HB   ASP   5          2HB       ASP   5   2.003   6.671   3.726
   42   2HB   ASP   5          1HB       ASP   5   3.342   6.848   2.628
   43    H    THR   6           H        THR   6   5.328   6.612   2.757
   44    HA   THR   6           HA       THR   6   7.344   4.816   4.008
   45    HB   THR   6           HB       THR   6   8.042   4.990   1.291
   46    HG1  THR   6          1HG       THR   6   5.233   5.167   1.522
   47   1HG2  THR   6          1HG2      THR   6   6.112   3.208   2.779
   48   2HG2  THR   6          2HG2      THR   6   7.620   2.780   1.996
   49   3HG2  THR   6          3HG2      THR   6   6.194   3.085   1.024
   50    H    ILE   7           H        ILE   7   7.646   7.109   1.461
   51    HA   ILE   7           HA       ILE   7   9.839   8.491   2.912
   52    HB   ILE   7           HB       ILE   7   9.818   8.912  -0.021
   53   1HG1  ILE   7          2HG1      ILE   7   8.845   6.509  -0.050
   54   2HG1  ILE   7          1HG1      ILE   7  10.378   6.706  -0.833
   55   1HG2  ILE   7          1HG2      ILE   7  11.793   7.841   1.987
   56   2HG2  ILE   7          2HG2      ILE   7  11.743   9.426   1.223
   57   3HG2  ILE   7          3HG2      ILE   7  12.152   8.000   0.272
   58   1HD1  ILE   7          1HD1      ILE   7  10.358   5.879   2.089
   59   2HD1  ILE   7          2HD1      ILE   7  11.596   5.628   0.876
   60   3HD1  ILE   7          3HD1      ILE   7  10.130   4.682   0.820
   61    HA   PRO   8           HA       PRO   8   8.212  11.899   0.179
   62   1HB   PRO   8          2HB       PRO   8   5.387  11.577  -0.574
   63   2HB   PRO   8          1HB       PRO   8   6.767  11.791  -1.646
   64   1HG   PRO   8          2HG       PRO   8   5.311   9.422  -1.169
   65   2HG   PRO   8          1HG       PRO   8   6.867   9.518  -2.000
   66   1HD   PRO   8          2HD       PRO   8   6.232   8.509   0.706
   67   2HD   PRO   8          1HD       PRO   8   7.700   8.273  -0.274
   68    H    LYS   9           H        LYS   9   7.828  13.545   1.415
   69    HA   LYS   9           HA       LYS   9   5.957  13.317   3.679
   70   1HB   LYS   9          2HB       LYS   9   8.327  14.417   3.682
   71   2HB   LYS   9          1HB       LYS   9   7.585  15.762   2.823
   72   1HG   LYS   9          2HG       LYS   9   7.099  16.609   4.879
   73   2HG   LYS   9          1HG       LYS   9   5.787  15.468   4.827
   74   1HD   LYS   9          2HD       LYS   9   6.559  14.517   6.716
   75   2HD   LYS   9          1HD       LYS   9   7.883  13.857   5.796
   76   1HE   LYS   9          2HE       LYS   9   7.805  16.381   7.501
   77   2HE   LYS   9          1HE       LYS   9   8.897  15.016   7.653
   78   1HZ   LYS   9          1HZ       LYS   9  10.315  15.985   6.279
   79   2HZ   LYS   9          2HZ       LYS   9   9.327  17.366   6.206
   80   3HZ   LYS   9          3HZ       LYS   9   9.137  16.105   5.073
   81    H    SER  10           H        SER  10   4.396  12.935   1.912
   82    HA   SER  10           HA       SER  10   3.056  15.445   1.062
   83   1HB   SER  10          2HB       SER  10   4.242  13.455  -0.648
   84   2HB   SER  10          1HB       SER  10   2.535  13.099  -0.769
   85    HG   SER  10           HG       SER  10   3.912  15.136  -1.784
   86    H    ARG  11           H        ARG  11   1.002  13.292   0.055
   87    HA   ARG  11           HA       ARG  11  -0.155  12.418   2.600
   88   1HB   ARG  11          2HB       ARG  11  -2.341  13.158   1.541
   89   2HB   ARG  11          1HB       ARG  11  -1.366  14.473   2.173
   90   1HG   ARG  11          2HG       ARG  11  -0.564  13.907  -0.581
   91   2HG   ARG  11          1HG       ARG  11  -2.292  13.864  -0.527
   92   1HD   ARG  11          2HD       ARG  11  -1.488  16.175  -1.005
   93   2HD   ARG  11          1HD       ARG  11  -2.299  16.167   0.559
   94    HE   ARG  11           HE       ARG  11   0.116  15.839   1.517
   95   1HH1  ARG  11          1HH2      ARG  11  -0.567  18.572   1.046
   96   2HH1  ARG  11          2HH2      ARG  11   0.659  19.226   0.025
   97   1HH2  ARG  11          2HH1      ARG  11   1.686  15.901  -0.851
   98   2HH2  ARG  11          1HH1      ARG  11   2.091  17.538  -1.103
   99    H    CYS  12           H        CYS  12   0.932  10.613   1.669
  100    HA   CYS  12           HA       CYS  12  -0.840   9.075  -0.115
  101   1HB   CYS  12          2HB       CYS  12   0.802   8.414  -1.571
  102   2HB   CYS  12          1HB       CYS  12   1.491   9.949  -1.238
  103    H    THR  13           H        THR  13  -1.140   6.999   0.728
  104    HA   THR  13           HA       THR  13   0.803   5.907   2.481
  105    HB   THR  13           HB       THR  13  -0.229   6.257   4.478
  106    HG1  THR  13          1HG       THR  13  -2.813   6.546   4.066
  107   1HG2  THR  13          1HG2      THR  13  -0.400   8.555   3.955
  108   2HG2  THR  13          2HG2      THR  13  -2.001   8.176   4.579
  109   3HG2  THR  13          3HG2      THR  13  -1.731   8.309   2.850
  110    H    ALA  14           H        ALA  14   0.238   3.780   3.199
  111    HA   ALA  14           HA       ALA  14  -1.115   2.435   1.009
  112   1HB   ALA  14          1HB       ALA  14  -0.564   0.708   3.353
  113   2HB   ALA  14          2HB       ALA  14   0.821   1.726   2.993
  114   3HB   ALA  14          3HB       ALA  14   0.142   0.684   1.740
  115    H    PHE  15           H        PHE  15  -2.294   4.188   3.358
  116    HA   PHE  15           HA       PHE  15  -4.577   2.567   4.147
  117   1HB   PHE  15          2HB       PHE  15  -3.945   5.262   5.291
  118   2HB   PHE  15          1HB       PHE  15  -4.510   3.798   6.066
  119    HD1  PHE  15          1HD       PHE  15  -2.644   1.752   5.539
  120    HD2  PHE  15          2HD       PHE  15  -1.820   5.867   6.222
  121    HE1  PHE  15          1HE       PHE  15  -0.351   1.193   6.155
  122    HE2  PHE  15          2HE       PHE  15   0.453   5.342   6.832
  123    HZ   PHE  15           HZ       PHE  15   1.231   2.973   6.805
  124    H    GLN  16           H        GLN  16  -3.442   4.477   1.806
  125    HA   GLN  16           HA       GLN  16  -6.117   5.278   0.953
  126   1HB   GLN  16          2HB       GLN  16  -4.395   7.552   0.363
  127   2HB   GLN  16          1HB       GLN  16  -5.922   7.488   1.220
  128   1HG   GLN  16          2HG       GLN  16  -4.621   6.675   3.239
  129   2HG   GLN  16          1HG       GLN  16  -3.174   7.033   2.277
  130   1HE2  GLN  16          1HE2      GLN  16  -6.019   8.293   3.856
  131   2HE2  GLN  16          2HE2      GLN  16  -5.477   9.911   3.921
  132    H    CYS  17           H        CYS  17  -2.792   5.950   0.073
  133    HA   CYS  17           HA       CYS  17  -2.696   6.368  -2.551
  134   1HB   CYS  17          2HB       CYS  17  -0.644   5.440  -0.848
  135   2HB   CYS  17          1HB       CYS  17  -0.881   4.070  -1.838
  136    H    LYS  18           H        LYS  18  -2.692   3.282  -1.228
  137    HA   LYS  18           HA       LYS  18  -4.503   2.151  -3.165
  138   1HB   LYS  18          2HB       LYS  18  -2.421   2.444  -4.523
  139   2HB   LYS  18          1HB       LYS  18  -1.515   1.547  -3.339
  140   1HG   LYS  18          2HG       LYS  18  -2.005   0.079  -5.295
  141   2HG   LYS  18          1HG       LYS  18  -2.714  -0.500  -3.826
  142   1HD   LYS  18          2HD       LYS  18  -4.401  -0.735  -5.543
  143   2HD   LYS  18          1HD       LYS  18  -4.919   0.460  -4.384
  144   1HE   LYS  18          2HE       LYS  18  -4.385   2.315  -5.884
  145   2HE   LYS  18          1HE       LYS  18  -3.556   1.252  -7.007
  146   1HZ   LYS  18          1HZ       LYS  18  -6.168   0.270  -6.674
  147   2HZ   LYS  18          2HZ       LYS  18  -5.507   0.960  -8.075
  148   3HZ   LYS  18          3HZ       LYS  18  -6.271   1.940  -6.920
  149    H    HIS  19           H        HIS  19  -5.289   1.794  -0.924
  150    HA   HIS  19           HA       HIS  19  -4.418   0.459   1.172
  151   1HB   HIS  19          2HB       HIS  19  -6.991  -0.057  -0.372
  152   2HB   HIS  19          1HB       HIS  19  -6.728  -0.630   1.251
  153    HD1  HIS  19          1HD       HIS  19  -6.911   1.077   3.133
  154    HD2  HIS  19          2HD       HIS  19  -7.250   2.742  -0.677
  155    HE1  HIS  19          1HE       HIS  19  -7.689   3.416   3.316
  156    H    SER  20           H        SER  20  -6.084  -1.861  -0.978
  157    HA   SER  20           HA       SER  20  -4.686  -4.018   0.265
  158   1HB   SER  20          2HB       SER  20  -6.204  -4.469  -2.301
  159   2HB   SER  20          1HB       SER  20  -6.344  -5.305  -0.746
  160    HG   SER  20           HG       SER  20  -7.999  -3.989  -0.412
  161    H    ALA  21           H        ALA  21  -2.598  -2.620  -0.687
  162    HA   ALA  21           HA       ALA  21  -1.428  -4.558  -2.548
  163   1HB   ALA  21          1HB       ALA  21  -2.433  -2.600  -3.889
  164   2HB   ALA  21          2HB       ALA  21  -0.717  -2.898  -4.139
  165   3HB   ALA  21          3HB       ALA  21  -1.221  -1.594  -3.082
  166    H    LYS  22           H        LYS  22  -1.288  -2.748   0.210
  167    HA   LYS  22           HA       LYS  22   1.404  -1.886   0.112
  168   1HB   LYS  22          2HB       LYS  22   1.228  -2.036   2.669
  169   2HB   LYS  22          1HB       LYS  22  -0.130  -1.208   1.913
  170   1HG   LYS  22          2HG       LYS  22  -1.559  -3.175   2.063
  171   2HG   LYS  22          1HG       LYS  22  -0.216  -4.126   2.713
  172   1HD   LYS  22          2HD       LYS  22  -0.135  -2.985   4.692
  173   2HD   LYS  22          1HD       LYS  22  -0.933  -1.556   4.045
  174   1HE   LYS  22          2HE       LYS  22  -3.018  -3.213   3.799
  175   2HE   LYS  22          1HE       LYS  22  -2.160  -4.142   5.024
  176   1HZ   LYS  22          1HZ       LYS  22  -3.709  -1.829   5.393
  177   2HZ   LYS  22          2HZ       LYS  22  -2.111  -1.414   5.753
  178   3HZ   LYS  22          3HZ       LYS  22  -2.846  -2.698   6.565
  179    H    TYR  23           H        TYR  23   0.093  -4.982   0.443
  180    HA   TYR  23           HA       TYR  23   2.614  -6.186   1.405
  181   1HB   TYR  23          2HB       TYR  23   1.175  -8.343   1.013
  182   2HB   TYR  23          1HB       TYR  23   0.691  -7.245   2.288
  183    HD1  TYR  23          1HD       TYR  23  -0.246  -8.575  -1.017
  184    HD2  TYR  23          2HD       TYR  23  -1.283  -5.791   2.034
  185    HE1  TYR  23          1HE       TYR  23  -2.484  -8.323  -1.984
  186    HE2  TYR  23          2HE       TYR  23  -3.492  -5.544   1.067
  187    HH   TYR  23           HH       TYR  23  -4.261  -6.392  -1.968
  188    H    ARG  24           H        ARG  24   1.556  -4.969  -1.360
  189    HA   ARG  24           HA       ARG  24   3.026  -6.848  -3.076
  190   1HB   ARG  24          2HB       ARG  24   0.729  -4.961  -3.492
  191   2HB   ARG  24          1HB       ARG  24   1.720  -5.452  -4.846
  192   1HG   ARG  24          2HG       ARG  24   1.095  -7.757  -4.582
  193   2HG   ARG  24          1HG       ARG  24   0.669  -7.548  -2.904
  194   1HD   ARG  24          2HD       ARG  24  -1.192  -7.791  -4.821
  195   2HD   ARG  24          1HD       ARG  24  -1.464  -6.802  -3.392
  196    HE   ARG  24           HE       ARG  24  -1.109  -4.809  -4.708
  197   1HH1  ARG  24          2HH1      ARG  24  -2.853  -6.459  -6.408
  198   2HH1  ARG  24          1HH1      ARG  24  -2.124  -6.405  -7.966
  199   1HH2  ARG  24          1HH2      ARG  24   0.904  -5.175  -6.522
  200   2HH2  ARG  24          2HH2      ARG  24   0.205  -5.578  -8.031
  201    H    LEU  25           H        LEU  25   2.597  -3.313  -2.567
  202    HA   LEU  25           HA       LEU  25   5.091  -2.955  -4.085
  203   1HB   LEU  25          2HB       LEU  25   4.271  -0.452  -2.901
  204   2HB   LEU  25          1HB       LEU  25   4.340  -0.995  -4.537
  205    HG   LEU  25           HG       LEU  25   2.236  -0.229  -4.425
  206   1HD1  LEU  25          1HD1      LEU  25   2.467  -2.668  -5.279
  207   2HD1  LEU  25          2HD1      LEU  25   0.923  -1.814  -5.176
  208   3HD1  LEU  25          3HD1      LEU  25   1.359  -2.980  -3.957
  209   1HD2  LEU  25          1HD2      LEU  25   2.124  -1.562  -1.786
  210   2HD2  LEU  25          2HD2      LEU  25   0.711  -0.847  -2.553
  211   3HD2  LEU  25          3HD2      LEU  25   2.100   0.149  -2.141
  212    H    SER  26           H        SER  26   3.795  -1.733  -1.067
  213    HA   SER  26           HA       SER  26   5.528  -2.955   0.790
  214   1HB   SER  26          2HB       SER  26   6.522  -0.198  -0.168
  215   2HB   SER  26          1HB       SER  26   6.831  -0.762   1.460
  216    HG   SER  26           HG       SER  26   7.426  -2.517  -0.645
  217    H    PHE  27           H        PHE  27   4.103   0.108  -0.091
  218    HA   PHE  27           HA       PHE  27   2.103   0.016   1.939
  219   1HB   PHE  27          2HB       PHE  27   4.487   1.902   2.277
  220   2HB   PHE  27          1HB       PHE  27   2.905   2.219   2.927
  221    HD1  PHE  27          1HD       PHE  27   1.894  -0.046   4.195
  222    HD2  PHE  27          2HD       PHE  27   5.986   1.055   3.807
  223    HE1  PHE  27          1HE       PHE  27   2.445  -1.425   6.114
  224    HE2  PHE  27          2HE       PHE  27   6.557  -0.315   5.723
  225    HZ   PHE  27           HZ       PHE  27   4.785  -1.575   6.922
  226    H    CYS  28           H        CYS  28   3.824   2.864   0.785
  227    HA   CYS  28           HA       CYS  28   1.493   3.868  -0.646
  228   1HB   CYS  28          2HB       CYS  28   4.114   4.838   0.168
  229   2HB   CYS  28          1HB       CYS  28   3.640   5.508  -1.315
  230    H    ARG  29           H        ARG  29   1.446   4.422  -2.801
  231    HA   ARG  29           HA       ARG  29   3.444   3.810  -4.734
  232   1HB   ARG  29          2HB       ARG  29   2.431   1.590  -3.819
  233   2HB   ARG  29          1HB       ARG  29   1.203   1.835  -5.023
  234   1HG   ARG  29          2HG       ARG  29   4.106   2.316  -5.786
  235   2HG   ARG  29          1HG       ARG  29   3.644   0.670  -5.586
  236   1HD   ARG  29          2HD       ARG  29   2.232   2.643  -7.396
  237   2HD   ARG  29          1HD       ARG  29   3.460   1.474  -7.885
  238    HE   ARG  29           HE       ARG  29   1.660  -0.015  -6.444
  239   1HH1  ARG  29          2HH1      ARG  29   2.069   1.596  -9.341
  240   2HH1  ARG  29          1HH1      ARG  29   0.635   1.119 -10.153
  241   1HH2  ARG  29          1HH2      ARG  29  -0.493  -0.663  -7.262
  242   2HH2  ARG  29          2HH2      ARG  29  -0.871  -0.247  -8.890
  243    H    LYS  30           H        LYS  30   0.126   3.066  -5.541
  244    HA   LYS  30           HA       LYS  30  -0.152   4.456  -7.858
  245   1HB   LYS  30          2HB       LYS  30  -2.016   3.173  -6.985
  246   2HB   LYS  30          1HB       LYS  30  -2.140   4.240  -5.605
  247   1HG   LYS  30          2HG       LYS  30  -3.968   4.664  -7.190
  248   2HG   LYS  30          1HG       LYS  30  -2.953   6.054  -6.900
  249   1HD   LYS  30          2HD       LYS  30  -1.757   4.729  -9.167
  250   2HD   LYS  30          1HD       LYS  30  -3.463   4.549  -9.443
  251   1HE   LYS  30          2HE       LYS  30  -1.768   7.035  -9.476
  252   2HE   LYS  30          1HE       LYS  30  -3.086   6.568 -10.521
  253   1HZ   LYS  30          1HZ       LYS  30  -3.165   8.263  -8.300
  254   2HZ   LYS  30          2HZ       LYS  30  -4.161   6.944  -7.939
  255   3HZ   LYS  30          3HZ       LYS  30  -4.420   7.857  -9.352
  256    H    THR  31           H        THR  31  -0.898   6.117  -4.879
  257    HA   THR  31           HA       THR  31  -1.077   8.813  -6.055
  258    HB   THR  31           HB       THR  31  -1.217   7.832  -3.236
  259    HG1  THR  31          1HG       THR  31  -3.581   7.706  -3.988
  260   1HG2  THR  31          1HG2      THR  31  -3.304   9.819  -4.080
  261   2HG2  THR  31          2HG2      THR  31  -1.691  10.480  -4.326
  262   3HG2  THR  31          3HG2      THR  31  -2.177   9.937  -2.737
  263    H    CYS  32           H        CYS  32   1.126   6.853  -4.974
  264    HA   CYS  32           HA       CYS  32   3.071   8.804  -3.918
  265   1HB   CYS  32          2HB       CYS  32   3.298   5.802  -3.910
  266   2HB   CYS  32          1HB       CYS  32   3.956   6.991  -2.842
  267    H    GLY  33           H        GLY  33   3.842   5.857  -5.686
  268   1HA   GLY  33          2HA       GLY  33   4.664   5.860  -8.032
  269   2HA   GLY  33          1HA       GLY  33   5.188   7.531  -7.801
  270    H    THR  34           H        THR  34   5.797   6.026  -5.030
  271    HA   THR  34           HA       THR  34   8.677   5.932  -5.436
  272    HB   THR  34           HB       THR  34   7.426   6.522  -3.297
  273    HG1  THR  34          1HG       THR  34   9.191   4.405  -2.767
  274   1HG2  THR  34          1HG2      THR  34   6.945   4.656  -1.698
  275   2HG2  THR  34          2HG2      THR  34   7.152   3.483  -2.987
  276   3HG2  THR  34          3HG2      THR  34   5.836   4.630  -3.048
  277   1HN   ABA  35           HN       ABA  35   6.107   3.809  -5.583
  278    HA   ABA  35           HA       ABA  35   7.826   1.514  -6.396
  279   1HB   ABA  35          1HB       ABA  35   6.004   0.071  -5.200
  280   2HB   ABA  35          2HB       ABA  35   5.532   1.545  -4.369
  281   1HG   ABA  35          1HG       ABA  35   7.191   1.176  -2.854
  282   2HG   ABA  35          2HG       ABA  35   8.387   1.336  -4.129
  283   3HG   ABA  35          3HG       ABA  35   7.714  -0.241  -3.747
  Start of MODEL   19
    1   1H    ARG   1          1H        ARG   1  -2.712   5.861   8.611
    2   2H    ARG   1          2H        ARG   1  -2.949   6.713  10.068
    3   3H    ARG   1          3H        ARG   1  -1.388   6.463   9.482
    4    HA   ARG   1           HA       ARG   1  -2.756   7.792   7.428
    5   1HB   ARG   1          2HB       ARG   1  -4.049   8.495   9.845
    6   2HB   ARG   1          1HB       ARG   1  -2.710   9.612   9.838
    7   1HG   ARG   1          2HG       ARG   1  -4.165  10.914   8.643
    8   2HG   ARG   1          1HG       ARG   1  -3.530  10.021   7.286
    9   1HD   ARG   1          2HD       ARG   1  -5.559   8.311   7.874
   10   2HD   ARG   1          1HD       ARG   1  -6.207   9.720   8.684
   11    HE   ARG   1           HE       ARG   1  -5.342   9.896   5.805
   12   1HH1  ARG   1          2HH2      ARG   1  -6.903  11.705   7.884
   13   2HH1  ARG   1          1HH2      ARG   1  -8.443  11.796   7.101
   14   1HH2  ARG   1          2HH1      ARG   1  -7.353   9.225   4.853
   15   2HH2  ARG   1          1HH1      ARG   1  -8.736  10.213   5.174
   16    H    SER   2           H        SER   2  -0.712   7.681   6.525
   17    HA   SER   2           HA       SER   2   1.324   9.219   8.024
   18   1HB   SER   2          2HB       SER   2   1.901   6.721   8.186
   19   2HB   SER   2          1HB       SER   2   1.987   6.682   6.416
   20    HG   SER   2           HG       SER   2   3.864   7.545   8.104
   21   1HN   ABA   3           HN       ABA   3   1.110  10.990   6.782
   22    HA   ABA   3           HA       ABA   3   0.652  11.316   4.065
   23   1HB   ABA   3          1HB       ABA   3   0.774  13.291   5.113
   24   2HB   ABA   3          2HB       ABA   3   2.380  13.334   4.444
   25   1HG   ABA   3          1HG       ABA   3   1.505  12.977   7.315
   26   2HG   ABA   3          2HG       ABA   3   2.856  13.872   6.665
   27   3HG   ABA   3          3HG       ABA   3   2.976  12.137   6.831
   28    H    ILE   4           H        ILE   4   3.434  10.221   5.508
   29    HA   ILE   4           HA       ILE   4   4.976  10.196   2.947
   30    HB   ILE   4           HB       ILE   4   6.456  11.236   4.430
   31   1HG1  ILE   4          2HG1      ILE   4   7.472   9.004   3.785
   32   2HG1  ILE   4          1HG1      ILE   4   8.225   9.941   5.042
   33   1HG2  ILE   4          1HG2      ILE   4   6.556  10.759   6.923
   34   2HG2  ILE   4          2HG2      ILE   4   5.160   9.721   6.731
   35   3HG2  ILE   4          3HG2      ILE   4   5.032  11.432   6.384
   36   1HD1  ILE   4          1HD1      ILE   4   6.179   7.977   6.025
   37   2HD1  ILE   4          2HD1      ILE   4   7.757   8.360   6.655
   38   3HD1  ILE   4          3HD1      ILE   4   7.599   7.304   5.275
   39    H    ASP   5           H        ASP   5   3.875   8.085   5.532
   40    HA   ASP   5           HA       ASP   5   3.806   5.798   5.778
   41   1HB   ASP   5          2HB       ASP   5   2.757   6.492   3.306
   42   2HB   ASP   5          1HB       ASP   5   3.962   5.359   2.797
   43    H    THR   6           H        THR   6   5.655   5.823   2.833
   44    HA   THR   6           HA       THR   6   7.982   4.650   4.247
   45    HB   THR   6           HB       THR   6   8.525   4.218   1.554
   46    HG1  THR   6          1HG       THR   6   6.735   4.613   0.492
   47   1HG2  THR   6          1HG2      THR   6   7.378   2.031   1.874
   48   2HG2  THR   6          2HG2      THR   6   6.526   2.684   3.277
   49   3HG2  THR   6          3HG2      THR   6   8.263   2.458   3.326
   50    H    ILE   7           H        ILE   7   7.382   6.840   1.505
   51    HA   ILE   7           HA       ILE   7   9.608   8.518   2.472
   52    HB   ILE   7           HB       ILE   7   9.598   8.566  -0.434
   53   1HG1  ILE   7          2HG1      ILE   7   9.955   5.736   0.716
   54   2HG1  ILE   7          1HG1      ILE   7   8.510   6.199  -0.149
   55   1HG2  ILE   7          1HG2      ILE   7  11.911   7.774  -0.053
   56   2HG2  ILE   7          2HG2      ILE   7  11.491   7.328   1.596
   57   3HG2  ILE   7          3HG2      ILE   7  11.489   9.021   1.114
   58   1HD1  ILE   7          1HD1      ILE   7  11.201   5.676  -1.211
   59   2HD1  ILE   7          2HD1      ILE   7  10.319   7.002  -1.959
   60   3HD1  ILE   7          3HD1      ILE   7   9.614   5.400  -1.924
   61    HA   PRO   8           HA       PRO   8   7.562  11.544  -0.411
   62   1HB   PRO   8          2HB       PRO   8   4.955  10.973  -1.424
   63   2HB   PRO   8          1HB       PRO   8   6.493  10.936  -2.273
   64   1HG   PRO   8          2HG       PRO   8   4.842   8.702  -1.520
   65   2HG   PRO   8          1HG       PRO   8   6.444   8.612  -2.227
   66   1HD   PRO   8          2HD       PRO   8   5.641   8.265   0.625
   67   2HD   PRO   8          1HD       PRO   8   7.084   7.689  -0.225
   68    H    LYS   9           H        LYS   9   7.211  11.826   2.051
   69    HA   LYS   9           HA       LYS   9   5.043  12.361   3.537
   70   1HB   LYS   9          2HB       LYS   9   7.650  13.078   3.756
   71   2HB   LYS   9          1HB       LYS   9   7.007  14.658   3.389
   72   1HG   LYS   9          2HG       LYS   9   5.289  13.325   5.377
   73   2HG   LYS   9          1HG       LYS   9   6.946  13.234   5.911
   74   1HD   LYS   9          2HD       LYS   9   5.936  15.880   4.851
   75   2HD   LYS   9          1HD       LYS   9   5.324  15.338   6.401
   76   1HE   LYS   9          2HE       LYS   9   7.706  14.967   7.176
   77   2HE   LYS   9          1HE       LYS   9   8.260  15.659   5.659
   78   1HZ   LYS   9          1HZ       LYS   9   7.446  16.986   7.997
   79   2HZ   LYS   9          2HZ       LYS   9   6.390  17.452   6.761
   80   3HZ   LYS   9          3HZ       LYS   9   8.053  17.659   6.573
   81    H    SER  10           H        SER  10   3.459  12.667   1.799
   82    HA   SER  10           HA       SER  10   2.497  15.468   1.915
   83   1HB   SER  10          2HB       SER  10   3.067  13.843  -0.607
   84   2HB   SER  10          1HB       SER  10   2.005  15.269  -0.631
   85    HG   SER  10           HG       SER  10   4.324  15.659   0.809
   86    H    ARG  11           H        ARG  11   1.044  13.187  -0.220
   87    HA   ARG  11           HA       ARG  11  -1.056  12.587   1.760
   88   1HB   ARG  11          2HB       ARG  11  -2.615  12.870  -0.259
   89   2HB   ARG  11          1HB       ARG  11  -2.011  14.347   0.454
   90   1HG   ARG  11          2HG       ARG  11  -0.174  14.209  -1.478
   91   2HG   ARG  11          1HG       ARG  11  -1.191  12.953  -2.159
   92   1HD   ARG  11          2HD       ARG  11  -1.849  15.062  -3.204
   93   2HD   ARG  11          1HD       ARG  11  -3.146  14.645  -2.094
   94    HE   ARG  11           HE       ARG  11  -1.826  16.130  -0.414
   95   1HH1  ARG  11          2HH1      ARG  11   0.011  16.767  -2.794
   96   2HH1  ARG  11          1HH1      ARG  11  -0.487  18.361  -3.207
   97   1HH2  ARG  11          1HH2      ARG  11  -3.470  17.992  -1.310
   98   2HH2  ARG  11          2HH2      ARG  11  -2.609  19.110  -2.295
   99    H    CYS  12           H        CYS  12   1.049  10.782   1.110
  100    HA   CYS  12           HA       CYS  12  -0.545   8.774  -0.372
  101   1HB   CYS  12          2HB       CYS  12   1.251   8.374  -1.739
  102   2HB   CYS  12          1HB       CYS  12   1.920   9.826  -1.159
  103    H    THR  13           H        THR  13  -0.995   6.965   0.849
  104    HA   THR  13           HA       THR  13   0.792   6.078   2.929
  105    HB   THR  13           HB       THR  13  -0.429   6.600   4.706
  106    HG1  THR  13          1HG       THR  13  -2.636   5.846   3.120
  107   1HG2  THR  13          1HG2      THR  13  -2.204   8.473   4.466
  108   2HG2  THR  13          2HG2      THR  13  -1.864   8.424   2.746
  109   3HG2  THR  13          3HG2      THR  13  -0.593   8.866   3.864
  110    H    ALA  14           H        ALA  14   0.377   3.804   3.373
  111    HA   ALA  14           HA       ALA  14  -1.033   2.527   1.239
  112   1HB   ALA  14          1HB       ALA  14   0.321   0.888   2.201
  113   2HB   ALA  14          2HB       ALA  14  -0.991   0.624   3.338
  114   3HB   ALA  14          3HB       ALA  14   0.347   1.690   3.757
  115    H    PHE  15           H        PHE  15  -2.223   4.258   3.895
  116    HA   PHE  15           HA       PHE  15  -4.691   2.781   4.298
  117   1HB   PHE  15          2HB       PHE  15  -4.267   5.577   5.267
  118   2HB   PHE  15          1HB       PHE  15  -4.950   4.203   6.065
  119    HD1  PHE  15          1HD       PHE  15  -3.051   2.132   6.193
  120    HD2  PHE  15          2HD       PHE  15  -2.337   6.302   6.212
  121    HE1  PHE  15          1HE       PHE  15  -0.895   1.757   7.214
  122    HE2  PHE  15          2HE       PHE  15  -0.156   5.941   7.253
  123    HZ   PHE  15           HZ       PHE  15   0.586   3.655   7.785
  124    H    GLN  16           H        GLN  16  -3.545   4.620   1.930
  125    HA   GLN  16           HA       GLN  16  -6.200   5.321   0.925
  126   1HB   GLN  16          2HB       GLN  16  -4.412   7.631   0.534
  127   2HB   GLN  16          1HB       GLN  16  -6.087   7.549   1.013
  128   1HG   GLN  16          2HG       GLN  16  -5.131   6.805   3.389
  129   2HG   GLN  16          1HG       GLN  16  -3.650   7.457   2.762
  130   1HE2  GLN  16          1HE2      GLN  16  -4.873   9.446   1.186
  131   2HE2  GLN  16          2HE2      GLN  16  -5.556  10.653   2.179
  132    H    CYS  17           H        CYS  17  -2.840   6.092   0.293
  133    HA   CYS  17           HA       CYS  17  -2.625   6.375  -2.352
  134   1HB   CYS  17          2HB       CYS  17  -0.701   5.521  -0.346
  135   2HB   CYS  17          1HB       CYS  17  -0.557   4.441  -1.661
  136    H    LYS  18           H        LYS  18  -2.943   3.400  -0.815
  137    HA   LYS  18           HA       LYS  18  -4.326   2.060  -2.878
  138   1HB   LYS  18          2HB       LYS  18  -1.953   2.352  -3.942
  139   2HB   LYS  18          1HB       LYS  18  -1.403   1.205  -2.763
  140   1HG   LYS  18          2HG       LYS  18  -1.881  -0.126  -4.697
  141   2HG   LYS  18          1HG       LYS  18  -3.174  -0.416  -3.573
  142   1HD   LYS  18          2HD       LYS  18  -4.434  -0.155  -5.557
  143   2HD   LYS  18          1HD       LYS  18  -4.570   1.405  -4.805
  144   1HE   LYS  18          2HE       LYS  18  -4.050   1.493  -7.255
  145   2HE   LYS  18          1HE       LYS  18  -2.962   2.396  -6.214
  146   1HZ   LYS  18          1HZ       LYS  18  -2.029  -0.272  -6.484
  147   2HZ   LYS  18          2HZ       LYS  18  -1.257   1.159  -6.950
  148   3HZ   LYS  18          3HZ       LYS  18  -2.298   0.349  -8.027
  149    H    HIS  19           H        HIS  19  -5.282   1.757  -0.741
  150    HA   HIS  19           HA       HIS  19  -4.682   0.463   1.467
  151   1HB   HIS  19          2HB       HIS  19  -7.023   0.034  -0.395
  152   2HB   HIS  19          1HB       HIS  19  -6.979  -0.652   1.207
  153    HD1  HIS  19          1HD       HIS  19  -6.982   1.015   3.190
  154    HD2  HIS  19          2HD       HIS  19  -7.484   2.761  -0.557
  155    HE1  HIS  19          1HE       HIS  19  -7.832   3.345   3.460
  156    H    SER  20           H        SER  20  -6.251  -1.986  -0.484
  157    HA   SER  20           HA       SER  20  -4.698  -4.011   0.760
  158   1HB   SER  20          2HB       SER  20  -6.375  -4.663  -1.659
  159   2HB   SER  20          1HB       SER  20  -6.417  -5.381  -0.046
  160    HG   SER  20           HG       SER  20  -8.048  -4.017   0.306
  161    H    ALA  21           H        ALA  21  -2.817  -2.442  -0.624
  162    HA   ALA  21           HA       ALA  21  -1.602  -4.514  -2.338
  163   1HB   ALA  21          1HB       ALA  21  -1.165  -3.015  -4.087
  164   2HB   ALA  21          2HB       ALA  21  -1.505  -1.620  -3.085
  165   3HB   ALA  21          3HB       ALA  21  -2.840  -2.630  -3.677
  166    H    LYS  22           H        LYS  22  -1.434  -2.492   0.304
  167    HA   LYS  22           HA       LYS  22   1.182  -1.487   0.015
  168   1HB   LYS  22          2HB       LYS  22   1.188  -1.319   2.439
  169   2HB   LYS  22          1HB       LYS  22  -0.465  -1.071   1.928
  170   1HG   LYS  22          2HG       LYS  22  -1.058  -3.395   2.567
  171   2HG   LYS  22          1HG       LYS  22   0.620  -3.707   3.030
  172   1HD   LYS  22          2HD       LYS  22   0.554  -1.856   4.643
  173   2HD   LYS  22          1HD       LYS  22  -1.120  -1.529   4.242
  174   1HE   LYS  22          2HE       LYS  22  -0.152  -4.213   5.336
  175   2HE   LYS  22          1HE       LYS  22  -0.792  -2.936   6.358
  176   1HZ   LYS  22          1HZ       LYS  22  -2.235  -4.827   4.911
  177   2HZ   LYS  22          2HZ       LYS  22  -2.518  -3.333   4.145
  178   3HZ   LYS  22          3HZ       LYS  22  -2.844  -3.512   5.793
  179    H    TYR  23           H        TYR  23   0.052  -4.635   0.807
  180    HA   TYR  23           HA       TYR  23   2.718  -5.718   1.329
  181   1HB   TYR  23          2HB       TYR  23   1.412  -7.904   1.351
  182   2HB   TYR  23          1HB       TYR  23   0.877  -6.700   2.501
  183    HD1  TYR  23          1HD       TYR  23  -1.286  -5.547   2.202
  184    HD2  TYR  23          2HD       TYR  23  -0.013  -8.465  -0.630
  185    HE1  TYR  23          1HE       TYR  23  -3.553  -5.692   1.326
  186    HE2  TYR  23          2HE       TYR  23  -2.299  -8.599  -1.498
  187    HH   TYR  23           HH       TYR  23  -4.387  -6.633  -1.410
  188    H    ARG  24           H        ARG  24   1.347  -4.727  -1.378
  189    HA   ARG  24           HA       ARG  24   2.590  -6.752  -3.117
  190   1HB   ARG  24          2HB       ARG  24   0.249  -4.942  -3.278
  191   2HB   ARG  24          1HB       ARG  24   1.076  -5.256  -4.778
  192   1HG   ARG  24          2HG       ARG  24   0.674  -7.673  -4.549
  193   2HG   ARG  24          1HG       ARG  24   0.384  -7.526  -2.837
  194   1HD   ARG  24          2HD       ARG  24  -1.649  -7.877  -4.430
  195   2HD   ARG  24          1HD       ARG  24  -1.771  -6.741  -3.083
  196    HE   ARG  24           HE       ARG  24  -1.692  -4.910  -4.637
  197   1HH1  ARG  24          1HH2      ARG  24   0.414  -6.128  -6.294
  198   2HH1  ARG  24          2HH2      ARG  24  -0.341  -6.398  -7.810
  199   1HH2  ARG  24          2HH1      ARG  24  -3.556  -6.072  -6.271
  200   2HH2  ARG  24          1HH1      ARG  24  -2.817  -6.404  -7.792
  201    H    LEU  25           H        LEU  25   2.464  -3.229  -2.602
  202    HA   LEU  25           HA       LEU  25   4.670  -2.979  -4.562
  203   1HB   LEU  25          2HB       LEU  25   4.200  -0.414  -3.234
  204   2HB   LEU  25          1HB       LEU  25   3.914  -0.937  -4.844
  205    HG   LEU  25           HG       LEU  25   1.843  -0.066  -4.236
  206   1HD1  LEU  25          1HD1      LEU  25   1.082  -2.892  -4.041
  207   2HD1  LEU  25          2HD1      LEU  25   1.946  -2.336  -5.462
  208   3HD1  LEU  25          3HD1      LEU  25   0.452  -1.564  -4.986
  209   1HD2  LEU  25          1HD2      LEU  25   2.147   0.105  -1.975
  210   2HD2  LEU  25          2HD2      LEU  25   2.181  -1.635  -1.762
  211   3HD2  LEU  25          3HD2      LEU  25   0.683  -0.833  -2.247
  212    H    SER  26           H        SER  26   3.970  -1.528  -1.508
  213    HA   SER  26           HA       SER  26   5.722  -3.082   0.151
  214   1HB   SER  26          2HB       SER  26   6.730  -0.195  -0.267
  215   2HB   SER  26          1HB       SER  26   7.473  -1.476   0.666
  216    HG   SER  26           HG       SER  26   7.350  -2.599  -1.596
  217    H    PHE  27           H        PHE  27   4.522   0.090  -0.405
  218    HA   PHE  27           HA       PHE  27   2.830   0.047   1.978
  219   1HB   PHE  27          2HB       PHE  27   5.390   1.550   1.772
  220   2HB   PHE  27          1HB       PHE  27   4.093   2.467   2.468
  221    HD1  PHE  27          1HD       PHE  27   6.395  -0.331   2.969
  222    HD2  PHE  27          2HD       PHE  27   3.039   1.729   4.600
  223    HE1  PHE  27          1HE       PHE  27   6.786  -1.418   5.098
  224    HE2  PHE  27          2HE       PHE  27   3.430   0.628   6.751
  225    HZ   PHE  27           HZ       PHE  27   5.307  -0.950   7.028
  226    H    CYS  28           H        CYS  28   4.378   2.494   0.120
  227    HA   CYS  28           HA       CYS  28   1.816   3.481  -1.005
  228   1HB   CYS  28          2HB       CYS  28   4.038   4.645   0.276
  229   2HB   CYS  28          1HB       CYS  28   3.924   5.356  -1.264
  230    H    ARG  29           H        ARG  29   1.748   3.750  -3.012
  231    HA   ARG  29           HA       ARG  29   4.026   3.657  -4.799
  232   1HB   ARG  29          2HB       ARG  29   3.028   1.377  -4.086
  233   2HB   ARG  29          1HB       ARG  29   1.922   1.595  -5.431
  234   1HG   ARG  29          2HG       ARG  29   4.652   2.265  -6.154
  235   2HG   ARG  29          1HG       ARG  29   4.712   0.718  -5.409
  236   1HD   ARG  29          2HD       ARG  29   4.391   0.603  -7.824
  237   2HD   ARG  29          1HD       ARG  29   2.987  -0.094  -7.012
  238    HE   ARG  29           HE       ARG  29   1.853   2.157  -7.342
  239   1HH1  ARG  29          2HH1      ARG  29   2.401   0.905  -9.963
  240   2HH1  ARG  29          1HH1      ARG  29   3.149   2.166 -10.871
  241   1HH2  ARG  29          1HH2      ARG  29   3.859   3.937  -7.865
  242   2HH2  ARG  29          2HH2      ARG  29   4.046   4.058  -9.570
  243    H    LYS  30           H        LYS  30   0.502   3.452  -5.188
  244    HA   LYS  30           HA       LYS  30   0.491   4.682  -7.835
  245   1HB   LYS  30          2HB       LYS  30  -1.441   3.420  -7.303
  246   2HB   LYS  30          1HB       LYS  30  -1.630   4.154  -5.719
  247   1HG   LYS  30          2HG       LYS  30  -3.458   4.849  -7.209
  248   2HG   LYS  30          1HG       LYS  30  -2.507   6.251  -6.807
  249   1HD   LYS  30          2HD       LYS  30  -1.483   6.350  -8.959
  250   2HD   LYS  30          1HD       LYS  30  -1.814   4.668  -9.293
  251   1HE   LYS  30          2HE       LYS  30  -3.295   6.144 -10.671
  252   2HE   LYS  30          1HE       LYS  30  -4.248   5.135  -9.604
  253   1HZ   LYS  30          1HZ       LYS  30  -3.649   7.555  -8.246
  254   2HZ   LYS  30          2HZ       LYS  30  -5.166   6.984  -8.763
  255   3HZ   LYS  30          3HZ       LYS  30  -4.230   7.932  -9.779
  256    H    THR  31           H        THR  31  -1.209   6.282  -5.183
  257    HA   THR  31           HA       THR  31  -0.810   8.997  -6.108
  258    HB   THR  31           HB       THR  31  -1.588   7.682  -3.558
  259    HG1  THR  31          1HG       THR  31  -3.490   7.686  -4.546
  260   1HG2  THR  31          1HG2      THR  31  -2.624   9.770  -2.765
  261   2HG2  THR  31          2HG2      THR  31  -2.394  10.565  -4.315
  262   3HG2  THR  31          3HG2      THR  31  -1.026  10.277  -3.245
  263    H    CYS  32           H        CYS  32   1.116   6.971  -4.866
  264    HA   CYS  32           HA       CYS  32   3.023   8.674  -3.449
  265   1HB   CYS  32          2HB       CYS  32   3.731   5.928  -3.746
  266   2HB   CYS  32          1HB       CYS  32   3.235   6.780  -2.320
  267    H    GLY  33           H        GLY  33   2.725   6.962  -6.512
  268   1HA   GLY  33          2HA       GLY  33   4.300   6.717  -8.274
  269   2HA   GLY  33          1HA       GLY  33   4.443   8.454  -8.037
  270    H    THR  34           H        THR  34   5.321   6.162  -5.657
  271    HA   THR  34           HA       THR  34   8.181   6.926  -5.949
  272    HB   THR  34           HB       THR  34   6.560   7.437  -3.897
  273    HG1  THR  34          1HG       THR  34   8.537   8.147  -3.523
  274   1HG2  THR  34          1HG2      THR  34   6.037   5.063  -3.236
  275   2HG2  THR  34          2HG2      THR  34   6.958   5.893  -2.004
  276   3HG2  THR  34          3HG2      THR  34   7.762   4.756  -3.062
  277   1HN   ABA  35           HN       ABA  35   6.133   4.073  -5.439
  278    HA   ABA  35           HA       ABA  35   8.539   2.411  -6.099
  279   1HB   ABA  35          1HB       ABA  35   6.084   1.842  -4.326
  280   2HB   ABA  35          2HB       ABA  35   7.729   2.085  -3.812
  281   1HG   ABA  35          1HG       ABA  35   6.610  -0.362  -5.170
  282   2HG   ABA  35          2HG       ABA  35   7.580  -0.260  -3.706
  283   3HG   ABA  35          3HG       ABA  35   8.317  -0.003  -5.281
  Start of MODEL   20
    1   1H    ARG   1          1H        ARG   1  -3.440   7.837  11.566
    2   2H    ARG   1          2H        ARG   1  -2.043   6.962  11.206
    3   3H    ARG   1          3H        ARG   1  -3.572   6.263  10.928
    4    HA   ARG   1           HA       ARG   1  -3.512   7.067   8.830
    5   1HB   ARG   1          2HB       ARG   1  -4.393   9.241  10.064
    6   2HB   ARG   1          1HB       ARG   1  -2.743   9.802   9.962
    7   1HG   ARG   1          2HG       ARG   1  -2.794   9.985   7.596
    8   2HG   ARG   1          1HG       ARG   1  -4.135   8.867   7.416
    9   1HD   ARG   1          2HD       ARG   1  -4.523  11.488   8.942
   10   2HD   ARG   1          1HD       ARG   1  -4.602  11.449   7.190
   11    HE   ARG   1           HE       ARG   1  -6.301   9.554   8.774
   12   1HH1  ARG   1          2HH1      ARG   1  -6.452   9.753   5.859
   13   2HH1  ARG   1          1HH1      ARG   1  -7.840  10.740   5.579
   14   1HH2  ARG   1          2HH2      ARG   1  -7.689  11.940   8.938
   15   2HH2  ARG   1          1HH2      ARG   1  -8.555  12.146   7.481
   16    H    SER   2           H        SER   2  -1.820   6.913   7.345
   17    HA   SER   2           HA       SER   2   0.843   7.472   8.551
   18   1HB   SER   2          2HB       SER   2  -0.021   5.132   6.769
   19   2HB   SER   2          1HB       SER   2   1.639   5.667   6.856
   20    HG   SER   2           HG       SER   2   1.552   4.372   8.448
   21   1HN   ABA   3           HN       ABA   3  -0.062   9.614   7.434
   22    HA   ABA   3           HA       ABA   3  -0.079  10.181   4.726
   23   1HB   ABA   3          1HB       ABA   3  -0.302  12.105   6.008
   24   2HB   ABA   3          2HB       ABA   3   1.356  12.334   5.495
   25   1HG   ABA   3          1HG       ABA   3   1.790  12.597   7.729
   26   2HG   ABA   3          2HG       ABA   3   1.637  10.866   7.895
   27   3HG   ABA   3          3HG       ABA   3   0.258  11.902   8.220
   28    H    ILE   4           H        ILE   4   2.651   9.417   6.575
   29    HA   ILE   4           HA       ILE   4   4.492   9.603   4.276
   30    HB   ILE   4           HB       ILE   4   5.470  10.784   6.020
   31   1HG1  ILE   4          2HG1      ILE   4   7.058   8.906   5.479
   32   2HG1  ILE   4          1HG1      ILE   4   7.309   9.671   7.026
   33   1HG2  ILE   4          1HG2      ILE   4   5.344   9.964   8.508
   34   2HG2  ILE   4          2HG2      ILE   4   3.975   9.015   7.973
   35   3HG2  ILE   4          3HG2      ILE   4   3.966  10.765   7.796
   36   1HD1  ILE   4          1HD1      ILE   4   6.569   6.915   6.413
   37   2HD1  ILE   4          2HD1      ILE   4   5.575   7.554   7.699
   38   3HD1  ILE   4          3HD1      ILE   4   7.324   7.540   7.845
   39    H    ASP   5           H        ASP   5   3.486   7.185   6.795
   40    HA   ASP   5           HA       ASP   5   3.696   4.902   6.879
   41   1HB   ASP   5          2HB       ASP   5   2.513   5.676   4.408
   42   2HB   ASP   5          1HB       ASP   5   3.768   4.592   3.934
   43    H    THR   6           H        THR   6   5.415   5.421   3.914
   44    HA   THR   6           HA       THR   6   7.849   4.064   4.986
   45    HB   THR   6           HB       THR   6   7.376   2.839   2.988
   46    HG1  THR   6          1HG       THR   6   9.073   3.498   1.969
   47   1HG2  THR   6          1HG2      THR   6   6.390   3.882   0.957
   48   2HG2  THR   6          2HG2      THR   6   6.197   5.407   1.798
   49   3HG2  THR   6          3HG2      THR   6   5.285   3.998   2.320
   50    H    ILE   7           H        ILE   7   8.357   6.073   2.165
   51    HA   ILE   7           HA       ILE   7   9.203   8.343   3.899
   52    HB   ILE   7           HB       ILE   7  11.415   8.331   2.731
   53   1HG1  ILE   7          2HG1      ILE   7  11.579   5.528   2.032
   54   2HG1  ILE   7          1HG1      ILE   7  10.189   6.178   1.193
   55   1HG2  ILE   7          1HG2      ILE   7  11.088   7.379   5.046
   56   2HG2  ILE   7          2HG2      ILE   7  12.382   6.567   4.184
   57   3HG2  ILE   7          3HG2      ILE   7  10.812   5.800   4.332
   58   1HD1  ILE   7          1HD1      ILE   7  12.282   6.433  -0.118
   59   2HD1  ILE   7          2HD1      ILE   7  12.953   7.451   1.152
   60   3HD1  ILE   7          3HD1      ILE   7  11.535   7.976   0.246
   61    HA   PRO   8           HA       PRO   8   7.816  10.166  -0.144
   62   1HB   PRO   8          2HB       PRO   8   5.102  10.228  -0.122
   63   2HB   PRO   8          1HB       PRO   8   5.909   8.711  -0.539
   64   1HG   PRO   8          2HG       PRO   8   4.690   9.542   2.098
   65   2HG   PRO   8          1HG       PRO   8   4.731   7.946   1.377
   66   1HD   PRO   8          2HD       PRO   8   6.499   8.831   3.356
   67   2HD   PRO   8          1HD       PRO   8   6.630   7.378   2.353
   68    H    LYS   9           H        LYS   9   7.058  12.409  -0.254
   69    HA   LYS   9           HA       LYS   9   6.961  13.663   2.446
   70   1HB   LYS   9          2HB       LYS   9   8.620  14.247   0.298
   71   2HB   LYS   9          1HB       LYS   9   7.321  15.384   0.021
   72   1HG   LYS   9          2HG       LYS   9   7.519  16.409   2.096
   73   2HG   LYS   9          1HG       LYS   9   8.466  15.132   2.811
   74   1HD   LYS   9          2HD       LYS   9   9.808  16.369   0.428
   75   2HD   LYS   9          1HD       LYS   9   9.441  17.536   1.668
   76   1HE   LYS   9          2HE       LYS   9  11.726  16.479   1.920
   77   2HE   LYS   9          1HE       LYS   9  10.719  16.344   3.352
   78   1HZ   LYS   9          1HZ       LYS   9  10.207  14.146   1.676
   79   2HZ   LYS   9          2HZ       LYS   9  10.876  14.137   3.227
   80   3HZ   LYS   9          3HZ       LYS   9  11.887  14.277   1.869
   81    H    SER  10           H        SER  10   4.533  12.564   1.365
   82    HA   SER  10           HA       SER  10   2.918  15.076   1.440
   83   1HB   SER  10          2HB       SER  10   2.646  12.998  -0.788
   84   2HB   SER  10          1HB       SER  10   1.595  14.408  -0.576
   85    HG   SER  10           HG       SER  10   4.066  15.299  -0.311
   86    H    ARG  11           H        ARG  11   1.032  12.445   0.399
   87    HA   ARG  11           HA       ARG  11   0.103  11.552   3.024
   88   1HB   ARG  11          2HB       ARG  11  -1.188  13.799   1.616
   89   2HB   ARG  11          1HB       ARG  11  -2.285  12.447   1.637
   90   1HG   ARG  11          2HG       ARG  11  -2.534  12.402   3.896
   91   2HG   ARG  11          1HG       ARG  11  -0.899  12.945   4.210
   92   1HD   ARG  11          2HD       ARG  11  -3.099  14.806   3.215
   93   2HD   ARG  11          1HD       ARG  11  -2.517  14.726   4.875
   94    HE   ARG  11           HE       ARG  11  -0.818  15.532   2.526
   95   1HH1  ARG  11          2HH1      ARG  11  -1.865  17.522   4.472
   96   2HH1  ARG  11          1HH1      ARG  11  -0.547  17.757   5.551
   97   1HH2  ARG  11          1HH2      ARG  11   0.978  14.758   4.325
   98   2HH2  ARG  11          2HH2      ARG  11   1.252  16.026   5.464
   99    H    CYS  12           H        CYS  12   1.091   9.803   1.945
  100    HA   CYS  12           HA       CYS  12  -0.805   8.532   0.040
  101   1HB   CYS  12          2HB       CYS  12   0.879   7.697  -1.240
  102   2HB   CYS  12          1HB       CYS  12   1.350   9.310  -0.994
  103    H    THR  13           H        THR  13  -1.029   8.285   2.703
  104    HA   THR  13           HA       THR  13   0.320   6.051   3.824
  105    HB   THR  13           HB       THR  13  -1.184   6.396   5.633
  106    HG1  THR  13          1HG       THR  13  -3.052   5.742   3.615
  107   1HG2  THR  13          1HG2      THR  13  -3.343   7.908   5.018
  108   2HG2  THR  13          2HG2      THR  13  -2.452   8.271   3.582
  109   3HG2  THR  13          3HG2      THR  13  -1.784   8.714   5.125
  110    H    ALA  14           H        ALA  14   0.009   3.837   3.640
  111    HA   ALA  14           HA       ALA  14  -1.025   2.791   1.284
  112   1HB   ALA  14          1HB       ALA  14  -1.437   0.716   2.992
  113   2HB   ALA  14          2HB       ALA  14  -0.437   1.726   4.032
  114   3HB   ALA  14          3HB       ALA  14   0.175   1.216   2.472
  115    H    PHE  15           H        PHE  15  -2.733   3.918   4.125
  116    HA   PHE  15           HA       PHE  15  -5.224   2.580   3.649
  117   1HB   PHE  15          2HB       PHE  15  -5.133   5.161   5.099
  118   2HB   PHE  15          1HB       PHE  15  -5.896   3.635   5.520
  119    HD1  PHE  15          1HD       PHE  15  -3.558   1.783   5.268
  120    HD2  PHE  15          2HD       PHE  15  -3.865   5.619   7.045
  121    HE1  PHE  15          1HE       PHE  15  -1.624   1.282   6.627
  122    HE2  PHE  15          2HE       PHE  15  -1.906   5.105   8.452
  123    HZ   PHE  15           HZ       PHE  15  -0.782   2.938   8.257
  124    H    GLN  16           H        GLN  16  -3.792   4.592   1.745
  125    HA   GLN  16           HA       GLN  16  -6.295   5.434   0.529
  126   1HB   GLN  16          2HB       GLN  16  -4.381   7.740   0.456
  127   2HB   GLN  16          1HB       GLN  16  -6.076   7.736   0.872
  128   1HG   GLN  16          2HG       GLN  16  -5.320   6.747   3.168
  129   2HG   GLN  16          1HG       GLN  16  -3.713   7.146   2.658
  130   1HE2  GLN  16          1HE2      GLN  16  -6.962   8.534   3.105
  131   2HE2  GLN  16          2HE2      GLN  16  -6.416  10.112   3.504
  132    H    CYS  17           H        CYS  17  -2.787   5.988   0.246
  133    HA   CYS  17           HA       CYS  17  -2.548   6.285  -2.502
  134   1HB   CYS  17          2HB       CYS  17  -0.584   5.710  -0.634
  135   2HB   CYS  17          1HB       CYS  17  -0.647   4.192  -1.414
  136    H    LYS  18           H        LYS  18  -2.741   3.306  -0.838
  137    HA   LYS  18           HA       LYS  18  -4.227   2.071  -2.953
  138   1HB   LYS  18          2HB       LYS  18  -1.894   2.200  -3.942
  139   2HB   LYS  18          1HB       LYS  18  -1.337   1.158  -2.670
  140   1HG   LYS  18          2HG       LYS  18  -1.850  -0.118  -4.801
  141   2HG   LYS  18          1HG       LYS  18  -2.824  -0.690  -3.466
  142   1HD   LYS  18          2HD       LYS  18  -4.071   1.525  -5.025
  143   2HD   LYS  18          1HD       LYS  18  -3.769   0.128  -6.003
  144   1HE   LYS  18          2HE       LYS  18  -5.091  -0.341  -3.310
  145   2HE   LYS  18          1HE       LYS  18  -6.079   0.448  -4.520
  146   1HZ   LYS  18          1HZ       LYS  18  -6.460  -1.557  -5.436
  147   2HZ   LYS  18          2HZ       LYS  18  -5.578  -2.270  -4.207
  148   3HZ   LYS  18          3HZ       LYS  18  -4.786  -1.799  -5.659
  149    H    HIS  19           H        HIS  19  -5.353   1.808  -0.892
  150    HA   HIS  19           HA       HIS  19  -4.978   0.410   1.292
  151   1HB   HIS  19          2HB       HIS  19  -7.223   0.118  -0.726
  152   2HB   HIS  19          1HB       HIS  19  -7.313  -0.565   0.878
  153    HD1  HIS  19          1HD       HIS  19  -7.580   1.115   2.836
  154    HD2  HIS  19          2HD       HIS  19  -7.470   2.828  -0.967
  155    HE1  HIS  19          1HE       HIS  19  -8.332   3.496   2.949
  156    H    SER  20           H        SER  20  -5.814  -1.488  -1.669
  157    HA   SER  20           HA       SER  20  -4.793  -3.848  -0.305
  158   1HB   SER  20          2HB       SER  20  -5.818  -4.891  -2.609
  159   2HB   SER  20          1HB       SER  20  -6.898  -4.259  -1.375
  160    HG   SER  20           HG       SER  20  -7.526  -3.127  -3.012
  161    H    ALA  21           H        ALA  21  -2.693  -2.026  -1.490
  162    HA   ALA  21           HA       ALA  21  -1.238  -4.372  -2.652
  163   1HB   ALA  21          1HB       ALA  21  -0.491  -3.231  -4.519
  164   2HB   ALA  21          2HB       ALA  21  -0.903  -1.660  -3.879
  165   3HB   ALA  21          3HB       ALA  21  -2.183  -2.741  -4.496
  166    H    LYS  22           H        LYS  22  -1.493  -2.158  -0.312
  167    HA   LYS  22           HA       LYS  22   1.069  -0.983  -0.318
  168   1HB   LYS  22          2HB       LYS  22   0.894  -1.031   2.222
  169   2HB   LYS  22          1HB       LYS  22  -0.565  -0.474   1.445
  170   1HG   LYS  22          2HG       LYS  22  -1.541  -2.818   1.769
  171   2HG   LYS  22          1HG       LYS  22  -0.069  -3.223   2.674
  172   1HD   LYS  22          2HD       LYS  22  -0.638  -1.008   3.969
  173   2HD   LYS  22          1HD       LYS  22  -2.262  -1.311   3.393
  174   1HE   LYS  22          2HE       LYS  22  -2.616  -2.864   5.023
  175   2HE   LYS  22          1HE       LYS  22  -1.251  -3.810   4.464
  176   1HZ   LYS  22          1HZ       LYS  22  -0.122  -3.182   6.265
  177   2HZ   LYS  22          2HZ       LYS  22  -1.441  -2.267   6.786
  178   3HZ   LYS  22          3HZ       LYS  22  -0.249  -1.557   5.814
  179    H    TYR  23           H        TYR  23   0.151  -4.061   1.050
  180    HA   TYR  23           HA       TYR  23   2.746  -5.008   1.687
  181   1HB   TYR  23          2HB       TYR  23   1.515  -7.289   1.617
  182   2HB   TYR  23          1HB       TYR  23   0.876  -6.076   2.705
  183    HD1  TYR  23          1HD       TYR  23   0.365  -7.470  -0.772
  184    HD2  TYR  23          2HD       TYR  23  -1.376  -5.349   2.503
  185    HE1  TYR  23          1HE       TYR  23  -1.833  -7.617  -1.816
  186    HE2  TYR  23          2HE       TYR  23  -3.559  -5.506   1.442
  187    HH   TYR  23           HH       TYR  23  -3.973  -6.314  -1.746
  188    H    ARG  24           H        ARG  24   1.308  -4.630  -1.404
  189    HA   ARG  24           HA       ARG  24   2.910  -6.728  -2.618
  190   1HB   ARG  24          2HB       ARG  24   0.675  -4.947  -3.299
  191   2HB   ARG  24          1HB       ARG  24   1.835  -5.066  -4.588
  192   1HG   ARG  24          2HG       ARG  24   1.590  -7.499  -4.623
  193   2HG   ARG  24          1HG       ARG  24   0.640  -7.486  -3.158
  194   1HD   ARG  24          2HD       ARG  24  -0.676  -7.662  -5.329
  195   2HD   ARG  24          1HD       ARG  24  -1.162  -6.375  -4.216
  196    HE   ARG  24           HE       ARG  24  -0.275  -4.740  -5.721
  197   1HH1  ARG  24          2HH1      ARG  24  -1.401  -6.552  -7.721
  198   2HH1  ARG  24          1HH1      ARG  24  -0.153  -6.756  -8.882
  199   1HH2  ARG  24          1HH2      ARG  24   2.203  -5.468  -6.473
  200   2HH2  ARG  24          2HH2      ARG  24   2.126  -6.053  -8.092
  201    H    LEU  25           H        LEU  25   2.881  -3.158  -2.499
  202    HA   LEU  25           HA       LEU  25   5.372  -3.215  -4.084
  203   1HB   LEU  25          2HB       LEU  25   4.903  -0.580  -2.948
  204   2HB   LEU  25          1HB       LEU  25   4.934  -1.156  -4.571
  205    HG   LEU  25           HG       LEU  25   2.985  -0.150  -4.430
  206   1HD1  LEU  25          1HD1      LEU  25   1.481  -1.609  -5.285
  207   2HD1  LEU  25          2HD1      LEU  25   1.813  -2.855  -4.116
  208   3HD1  LEU  25          3HD1      LEU  25   2.952  -2.566  -5.405
  209   1HD2  LEU  25          1HD2      LEU  25   2.685   0.257  -2.228
  210   2HD2  LEU  25          2HD2      LEU  25   2.609  -1.438  -1.816
  211   3HD2  LEU  25          3HD2      LEU  25   1.270  -0.695  -2.675
  212    H    SER  26           H        SER  26   4.185  -1.995  -1.078
  213    HA   SER  26           HA       SER  26   5.972  -3.186   0.728
  214   1HB   SER  26          2HB       SER  26   6.903  -0.401   0.990
  215   2HB   SER  26          1HB       SER  26   7.872  -1.828   0.730
  216    HG   SER  26           HG       SER  26   7.627  -1.630  -1.437
  217    H    PHE  27           H        PHE  27   4.874  -0.051   0.058
  218    HA   PHE  27           HA       PHE  27   2.733  -0.125   2.058
  219   1HB   PHE  27          2HB       PHE  27   5.198   1.565   2.351
  220   2HB   PHE  27          1HB       PHE  27   3.675   2.197   2.917
  221    HD1  PHE  27          1HD       PHE  27   2.460   1.047   4.770
  222    HD2  PHE  27          2HD       PHE  27   6.289  -0.290   3.481
  223    HE1  PHE  27          1HE       PHE  27   2.686  -0.246   6.817
  224    HE2  PHE  27          2HE       PHE  27   6.518  -1.595   5.524
  225    HZ   PHE  27           HZ       PHE  27   4.729  -1.585   7.219
  226    H    CYS  28           H        CYS  28   4.451   2.366   0.370
  227    HA   CYS  28           HA       CYS  28   1.986   3.715  -0.585
  228   1HB   CYS  28          2HB       CYS  28   4.676   4.495   0.114
  229   2HB   CYS  28          1HB       CYS  28   4.176   5.410  -1.181
  230    H    ARG  29           H        ARG  29   1.621   4.191  -2.672
  231    HA   ARG  29           HA       ARG  29   3.467   3.912  -4.829
  232   1HB   ARG  29          2HB       ARG  29   2.406   1.591  -3.930
  233   2HB   ARG  29          1HB       ARG  29   1.376   1.887  -5.273
  234   1HG   ARG  29          2HG       ARG  29   3.928   2.543  -6.319
  235   2HG   ARG  29          1HG       ARG  29   4.368   1.338  -5.158
  236   1HD   ARG  29          2HD       ARG  29   4.090   0.475  -7.493
  237   2HD   ARG  29          1HD       ARG  29   3.033  -0.392  -6.425
  238    HE   ARG  29           HE       ARG  29   1.225   1.321  -7.214
  239   1HH1  ARG  29          2HH1      ARG  29   3.780   2.183  -8.902
  240   2HH1  ARG  29          1HH1      ARG  29   3.262   1.784 -10.468
  241   1HH2  ARG  29          1HH2      ARG  29   0.562  -0.159  -9.215
  242   2HH2  ARG  29          2HH2      ARG  29   1.348   0.362 -10.664
  243    H    LYS  30           H        LYS  30   0.052   3.044  -5.379
  244    HA   LYS  30           HA       LYS  30  -0.265   4.512  -7.691
  245   1HB   LYS  30          2HB       LYS  30  -2.079   3.301  -5.782
  246   2HB   LYS  30          1HB       LYS  30  -2.794   4.805  -6.282
  247   1HG   LYS  30          2HG       LYS  30  -1.852   2.518  -8.087
  248   2HG   LYS  30          1HG       LYS  30  -3.511   2.978  -7.815
  249   1HD   LYS  30          2HD       LYS  30  -2.312   5.376  -8.797
  250   2HD   LYS  30          1HD       LYS  30  -1.443   4.138  -9.653
  251   1HE   LYS  30          2HE       LYS  30  -3.356   4.866 -10.987
  252   2HE   LYS  30          1HE       LYS  30  -3.560   3.182 -10.526
  253   1HZ   LYS  30          1HZ       LYS  30  -5.257   5.363  -9.980
  254   2HZ   LYS  30          2HZ       LYS  30  -4.644   4.792  -8.504
  255   3HZ   LYS  30          3HZ       LYS  30  -5.485   3.735  -9.527
  256    H    THR  31           H        THR  31  -0.375   6.059  -4.648
  257    HA   THR  31           HA       THR  31  -0.963   8.744  -5.812
  258    HB   THR  31           HB       THR  31  -1.125   7.613  -3.037
  259    HG1  THR  31          1HG       THR  31  -2.662   7.268  -5.081
  260   1HG2  THR  31          1HG2      THR  31  -1.805  10.343  -4.237
  261   2HG2  THR  31          2HG2      THR  31  -1.136   9.980  -2.645
  262   3HG2  THR  31          3HG2      THR  31  -2.848   9.706  -2.963
  263    H    CYS  32           H        CYS  32   1.306   6.771  -4.711
  264    HA   CYS  32           HA       CYS  32   3.219   8.695  -3.583
  265   1HB   CYS  32          2HB       CYS  32   3.580   5.763  -3.907
  266   2HB   CYS  32          1HB       CYS  32   4.253   6.841  -2.729
  267    H    GLY  33           H        GLY  33   4.795   9.561  -4.747
  268   1HA   GLY  33          2HA       GLY  33   5.257   8.683  -7.515
  269   2HA   GLY  33          1HA       GLY  33   6.033  10.048  -6.718
  270    H    THR  34           H        THR  34   5.873   6.654  -5.899
  271    HA   THR  34           HA       THR  34   8.879   6.534  -5.947
  272    HB   THR  34           HB       THR  34   8.365   6.220  -3.664
  273    HG1  THR  34          1HG       THR  34   9.125   4.286  -3.501
  274   1HG2  THR  34          1HG2      THR  34   6.370   4.912  -2.844
  275   2HG2  THR  34          2HG2      THR  34   5.824   4.677  -4.485
  276   3HG2  THR  34          3HG2      THR  34   5.915   6.290  -3.819
  277   1HN   ABA  35           HN       ABA  35   6.674   3.761  -5.755
  278    HA   ABA  35           HA       ABA  35   7.896   2.853  -8.349
  279   1HB   ABA  35          1HB       ABA  35   7.572   0.580  -7.572
  280   2HB   ABA  35          2HB       ABA  35   6.649   1.121  -6.187
  281   1HG   ABA  35          1HG       ABA  35   9.006   2.518  -5.766
  282   2HG   ABA  35          2HG       ABA  35   9.622   1.104  -6.594
  283   3HG   ABA  35          3HG       ABA  35   8.712   0.925  -5.104