*HEADER    POTASSIUM CHANNEL INHIBITOR             14-MAY-98   1BEI      
*TITLE     SHK-DNP22: A POTENT KV1.3-SPECIFIC IMMUNOSUPPRESSIVE          
*TITLE    2 POLYPEPTIDE, NMR, 20 STRUCTURES                              
*COMPND    MOL_ID: 1;                                                    
*COMPND   2 MOLECULE: POTASSIUM CHANNEL TOXIN SHK;                       
*COMPND   3 CHAIN: NULL;                                                 
*COMPND   4 SYNONYM: SHK-DNP22;                                          
*COMPND   5 ENGINEERED: YES;                                             
*COMPND   6 MUTATION: K22DNP, DIAMINOPROPANOATE (DNP) SUBSTITUTION AT    
*COMPND   7 POSITION 22                                                  
*SOURCE    MOL_ID: 1;                                                    
*SOURCE   2 SYNTHETIC: YES;                                              
*SOURCE   3 ORGANISM_SCIENTIFIC: STOICHACTIS HELIANTHUS;                 
*SOURCE   4 ORGANISM_COMMON: CARRIBEAN SEA ANEMONE                       
*KEYWDS    POTASSIUM CHANNEL INHIBITOR, SEA ANEMONE, IMMUNOSUPPRESSANT   
*KEYWDS   2 NEUROTOXIN                                                   
*EXPDTA    NMR, 20 STRUCTURES                                            
*AUTHOR    K.KALMAN,M.W.PENNINGTON,M.D.LANIGAN,A.NGUYEN,H.RAUER,         
*AUTHOR   2 V.MAHNIR,G.A.GUTMAN,K.PASCHETTO,W.R.KEM,S.GRISSMER,          
*AUTHOR   3 E.P.CHRISTIAN,M.D.CAHALAN,R.S.NORTON,K.G.CHANDY              
*REVDAT   1   12-OCT-04 1BEI    0   

!1 ARG
assign (resid  1 and name  HB#) (resid  1 and name   HE) 0.00 0  5.80
!2 SER
assign (resid  2 and name   HA) (resid  3 and name   HN) 0.00 0  3.60
assign (resid  2 and name   HA) (resid 30 and name  HE#) 0.00 0  5.00
assign (resid  2 and name  HB#) (resid  4 and name   HN) 0.00 0  7.20
assign (resid  2 and name  HB#) (resid  4 and name HG1#) 0.00 0  6.78
!3 CYS
assign (resid  3 and name   HN) (resid  4 and name   HN) 0.00 0  4.10
assign (resid  3 and name   HA) (resid  4 and name   HN) 0.00 0  3.40
assign (resid  3 and name   CB) (resid 35 and name   SG) 0.00 0  3.10
assign (resid  3 and name  HB#) (resid 29 and name  HB#) 0.00 0  5.88
assign (resid  3 and name  HB#) (resid 30 and name  HG#) 0.00 0  6.40
assign (resid  3 and name   SG) (resid 35 and name   CB) 0.00 0  3.10
assign (resid  3 and name   SG) (resid 35 and name   SG) 0.00 0  2.10
!4 ILE
assign (resid  4 and name   HN) (resid  4 and name HG2#) 0.00 0  4.40
assign (resid  4 and name   HN) (resid  4 and name HG12) 0.00 0  3.60
assign (resid  4 and name   HN) (resid  4 and name HG11) 0.00 0  3.60
assign (resid  4 and name   HN) (resid  4 and name HG1#) 0.00 0  3.39
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  4.30
assign (resid  4 and name   HA) (resid  5 and name   HN) 0.00 0  3.40
assign (resid  4 and name   HB) (resid  5 and name   HN) 0.00 0  3.40
assign (resid  4 and name HG1#) (resid  5 and name   HN) 0.00 0  5.08
assign (resid  4 and name HD1#) (resid  5 and name   HN) 0.00 0  4.40
!5 ASP
assign (resid  5 and name   HN) (resid 28 and name   HA) 0.00 0  5.00
assign (resid  5 and name   HN) (resid 29 and name  HB2) 0.00 0  4.70
assign (resid  5 and name   HN) (resid 29 and name  HB1) 0.00 0  4.70
assign (resid  5 and name   HN) (resid 29 and name  HB#) 0.00 0  4.14
assign (resid  5 and name   HN) (resid 30 and name   HN) 0.00 0  4.10
assign (resid  5 and name   HN) (resid 30 and name  HG#) 0.00 0  5.10
assign (resid  5 and name   HA) (resid  6 and name   HN) 0.00 0  3.40
assign (resid  5 and name   HA) (resid  7 and name   HN) 0.00 0  3.80
assign (resid  5 and name   HA) (resid 29 and name   HN) 0.00 0  3.50
assign (resid  5 and name   HA) (resid 30 and name   HN) 0.00 0  3.80
assign (resid  5 and name  HB2) (resid  6 and name   HN) 0.00 0  3.80
assign (resid  5 and name  HB2) (resid  7 and name   HN) 0.00 0  3.40
assign (resid  5 and name  HB1) (resid  6 and name   HN) 0.00 0  4.30
assign (resid  5 and name  HB1) (resid  7 and name   HN) 0.00 0  3.90
assign (resid  5 and name  HB1) (resid 28 and name   HA) 0.00 0  4.10
!6 THR
assign (resid  6 and name   HN) (resid  6 and name HG2#) 0.00 0  4.40
assign (resid  6 and name   HN) (resid  7 and name   HN) 0.00 0  2.90
assign (resid  6 and name   HN) (resid  7 and name   HA) 0.00 0  5.00
assign (resid  6 and name   HN) (resid 28 and name   HA) 0.00 0  4.40
assign (resid  6 and name   HN) (resid 29 and name   HN) 0.00 0  4.60
assign (resid  6 and name   HB) (resid  7 and name   HN) 0.00 0  4.40
assign (resid  6 and name HG2#) (resid 27 and name  HD#) 0.00 0  6.40
!7 ILE
assign (resid  7 and name   HN) (resid  7 and name   HB) 0.00 0  3.80
assign (resid  7 and name HG2#) (resid 11 and name  HB#) 0.00 0  5.28
assign (resid  7 and name HG2#) (resid 23 and name  HD#) 0.00 0  6.40
assign (resid  7 and name HG2#) (resid 27 and name  HB#) 0.00 0  5.28
assign (resid  7 and name HG2#) (resid 27 and name  HD#) 0.00 0  6.40
assign (resid  7 and name HG2#) (resid 28 and name   HA) 0.00 0  4.40
assign (resid  7 and name HG12) (resid  8 and name  HD2) 0.00 0  6.35
assign (resid  7 and name HG12) (resid  8 and name  HD1) 0.00 0  6.35
assign (resid  7 and name HG12) (resid 23 and name  HE#) 0.00 0  7.30
assign (resid  7 and name HG11) (resid  8 and name  HD2) 0.00 0  6.35
assign (resid  7 and name HG11) (resid  8 and name  HD1) 0.00 0  6.35
assign (resid  7 and name HG11) (resid 23 and name  HE#) 0.00 0  7.30
assign (resid  7 and name HG1#) (resid  8 and name  HD#) 0.00 0  5.31
assign (resid  7 and name HG1#) (resid 11 and name  HB#) 0.00 0  5.15
assign (resid  7 and name HG1#) (resid 11 and name  HG#) 0.00 0  5.48
assign (resid  7 and name HG1#) (resid 23 and name  HE#) 0.00 0  7.05
assign (resid  7 and name HG1#) (resid 27 and name  HB#) 0.00 0  5.65
assign (resid  7 and name HG1#) (resid 27 and name  HD#) 0.00 0  7.78
assign (resid  7 and name HG1#) (resid 28 and name   HA) 0.00 0  5.18
assign (resid  7 and name HD1#) (resid 27 and name  HD#) 0.00 0  6.40
!8 PRO
assign (resid  8 and name   HA) (resid  9 and name   HN) 0.00 0  3.40
assign (resid  8 and name   HA) (resid 10 and name   HN) 0.00 0  3.80
assign (resid  8 and name   HA) (resid 11 and name   HN) 0.00 0  4.40
assign (resid  8 and name  HB#) (resid 10 and name   HN) 0.00 0  4.78
assign (resid  8 and name  HB#) (resid 11 and name   HN) 0.00 0  5.18
assign (resid  8 and name  HG#) (resid 11 and name  HD#) 0.00 0  5.55
assign (resid  8 and name  HD#) (resid 10 and name   HN) 0.00 0  5.88
assign (resid  8 and name  HD#) (resid 11 and name   HN) 0.00 0  5.48
!9 LYS
assign (resid  9 and name   HN) (resid  9 and name  HB#) 0.00 0  3.72
assign (resid  9 and name   HN) (resid  9 and name  HG#) 0.00 0  4.70
assign (resid  9 and name   HN) (resid  9 and name  HD#) 0.00 0  4.90
assign (resid  9 and name   HA) (resid  9 and name  HD#) 0.00 0  5.40
assign (resid  9 and name   HA) (resid 12 and name  HB2) 0.00 0  3.70
assign (resid  9 and name   HA) (resid 12 and name  HB1) 0.00 0  3.70
assign (resid  9 and name   HA) (resid 12 and name  HB#) 0.00 0  3.49
assign (resid  9 and name   HA) (resid 28 and name  HB1) 0.00 0  3.40
assign (resid  9 and name  HB2) (resid 10 and name   HN) 0.00 0  3.70
assign (resid  9 and name  HB1) (resid 10 and name   HN) 0.00 0  3.70
assign (resid  9 and name  HB#) (resid 10 and name   HN) 0.00 0  3.44
assign (resid  9 and name  HG#) (resid 10 and name   HN) 0.00 0  4.90
assign (resid  9 and name  HG#) (resid 10 and name   HA) 0.00 0  5.30
assign (resid  9 and name  HG#) (resid 11 and name   HN) 0.00 0  6.50
assign (resid  9 and name  HG#) (resid 12 and name   HN) 0.00 0  6.30
assign (resid  9 and name  HE#) (resid 15 and name  HD#) 0.00 0  8.00
assign (resid  9 and name  HE#) (resid 15 and name  HE#) 0.00 0  8.30
!10 SER
assign (resid 10 and name   HN) (resid 11 and name   HN) 0.00 0  2.90
assign (resid 10 and name   HN) (resid 12 and name   HN) 0.00 0  3.80
!11 ARG
assign (resid 11 and name   HN) (resid 11 and name  HB#) 0.00 0  3.82
assign (resid 11 and name   HN) (resid 11 and name  HD2) 0.00 0  4.50
assign (resid 11 and name   HN) (resid 11 and name  HD1) 0.00 0  4.50
assign (resid 11 and name   HN) (resid 11 and name  HD#) 0.00 0  4.21
assign (resid 11 and name   HN) (resid 12 and name   HN) 0.00 0  2.90
assign (resid 11 and name   HN) (resid 23 and name  HB#) 0.00 0  5.88
assign (resid 11 and name   HA) (resid 13 and name HG2#) 0.00 0  4.40
assign (resid 11 and name   HA) (resid 16 and name  HB#) 0.00 0  6.58
assign (resid 11 and name   HA) (resid 23 and name  HE#) 0.00 0  7.20
assign (resid 11 and name  HB2) (resid 12 and name   HN) 0.00 0  4.10
assign (resid 11 and name  HB2) (resid 23 and name  HD#) 0.00 0  6.20
assign (resid 11 and name  HB2) (resid 23 and name  HE#) 0.00 0  5.90
assign (resid 11 and name  HB1) (resid 12 and name   HN) 0.00 0  4.10
assign (resid 11 and name  HB1) (resid 23 and name  HD#) 0.00 0  6.20
assign (resid 11 and name  HB1) (resid 23 and name  HE#) 0.00 0  5.90
assign (resid 11 and name  HB#) (resid 11 and name   HE) 0.00 0  5.18
assign (resid 11 and name  HB#) (resid 12 and name   HN) 0.00 0  3.90
assign (resid 11 and name  HB#) (resid 13 and name   HN) 0.00 0  4.88
assign (resid 11 and name  HB#) (resid 23 and name  HE#) 0.00 0  5.73
assign (resid 11 and name  HG#) (resid 12 and name   HN) 0.00 0  5.40
assign (resid 11 and name  HG#) (resid 16 and name  HB#) 0.00 0  5.28
assign (resid 11 and name  HG#) (resid 23 and name  HE#) 0.00 0  9.30
assign (resid 11 and name  HD#) (resid 16 and name  HG#) 0.00 0  6.15
assign (resid 11 and name  HD#) (resid 23 and name  HD#) 0.00 0  6.68
assign (resid 11 and name  HD#) (resid 23 and name  HE#) 0.00 0  8.08
assign (resid 11 and name   HE) (resid 16 and name  HB#) 0.00 0  5.48
!12 CYS
assign (resid 12 and name   HN) (resid 12 and name  HB2) 0.00 0  3.50
assign (resid 12 and name   HN) (resid 12 and name  HB1) 0.00 0  3.50
assign (resid 12 and name   HN) (resid 13 and name   HN) 0.00 0  3.50
assign (resid 12 and name   HN) (resid 23 and name  HE#) 0.00 0  7.00
assign (resid 12 and name   HA) (resid 13 and name   HN) 0.00 0  3.40
assign (resid 12 and name   HA) (resid 16 and name   HN) 0.00 0  5.00
assign (resid 12 and name   CB) (resid 28 and name   SG) 0.00 0  3.10
assign (resid 12 and name  HB#) (resid 13 and name   HN) 0.00 0  5.28
assign (resid 12 and name  HB#) (resid 28 and name   HA) 0.00 0  5.08
assign (resid 12 and name  HB#) (resid 31 and name   HB) 0.00 0  4.38
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   HB) 0.00 0  3.50
assign (resid 13 and name   HN) (resid 14 and name   HN) 0.00 0  4.60
assign (resid 13 and name   HN) (resid 16 and name   HN) 0.00 0  3.50
assign (resid 13 and name   HN) (resid 16 and name  HB#) 0.00 0  4.48
assign (resid 13 and name   HN) (resid 16 and name  HG#) 0.00 0  4.98
assign (resid 13 and name   HA) (resid 14 and name   HN) 0.00 0  3.40
assign (resid 13 and name   HA) (resid 15 and name   HN) 0.00 0  3.90
assign (resid 13 and name HG2#) (resid 15 and name   HN) 0.00 0  4.40
assign (resid 13 and name HG2#) (resid 16 and name   HN) 0.00 0  4.40
assign (resid 13 and name HG2#) (resid 16 and name  HG2) 0.00 0  4.40
assign (resid 13 and name HG2#) (resid 16 and name  HG1) 0.00 0  4.40
!14 ALA
assign (resid 14 and name   HN) (resid 15 and name   HN) 0.00 0  2.90
assign (resid 14 and name   HN) (resid 16 and name   HN) 0.00 0  4.20
assign (resid 14 and name   HA) (resid 17 and name   HN) 0.00 0  3.50
assign (resid 14 and name   HA) (resid 17 and name  HB#) 0.00 0  4.38
assign (resid 14 and name  HB#) (resid 15 and name   HN) 0.00 0  4.40
assign (resid 14 and name  HB#) (resid 15 and name  HD#) 0.00 0  6.40
!15 PHE
assign (resid 15 and name  HB#) (resid 16 and name   HN) 0.00 0  4.38
assign (resid 15 and name  HD#) (resid 16 and name   HN) 0.00 0  5.80
assign (resid 15 and name  HD#) (resid 16 and name  HB#) 0.00 0  7.68
assign (resid 15 and name  HD#) (resid 16 and name  HG2) 0.00 0  6.10
assign (resid 15 and name  HD#) (resid 16 and name  HG1) 0.00 0  6.10
assign (resid 15 and name  HE#) (resid 16 and name  HG#) 0.00 0  6.78
!16 GLN
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  HG#) 0.00 0  3.95
assign (resid 16 and name   HA) (resid 16 and name HE21) 0.00 0  4.80
assign (resid 16 and name   HA) (resid 16 and name HE22) 0.00 0  4.80
assign (resid 16 and name   HA) (resid 16 and name HE2#) 0.00 0  4.43
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  HB2) (resid 23 and name  HD#) 0.00 0  5.90
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  HB1) (resid 23 and name  HD#) 0.00 0  5.90
assign (resid 16 and name  HB#) (resid 17 and name   HN) 0.00 0  4.28
assign (resid 16 and name  HB#) (resid 23 and name   HN) 0.00 0  5.28
assign (resid 16 and name  HB#) (resid 23 and name  HE#) 0.00 0  7.78
assign (resid 16 and name  HG2) (resid 16 and name HE21) 0.00 0  3.90
assign (resid 16 and name  HG2) (resid 16 and name HE22) 0.00 0  3.90
assign (resid 16 and name  HG2) (resid 17 and name   HN) 0.00 0  4.10
assign (resid 16 and name  HG1) (resid 16 and name HE21) 0.00 0  3.90
assign (resid 16 and name  HG1) (resid 16 and name HE22) 0.00 0  3.90
assign (resid 16 and name  HG1) (resid 17 and name   HN) 0.00 0  4.10
assign (resid 16 and name  HG#) (resid 23 and name  HD#) 0.00 0  7.58
assign (resid 16 and name HE21) (resid 23 and name  HD#) 0.00 0  6.70
assign (resid 16 and name HE22) (resid 23 and name  HD#) 0.00 0  6.70
!17 CYS
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   HA) (resid 23 and name  HB#) 0.00 0  5.68
assign (resid 17 and name   HA) (resid 24 and name  HB2) 0.00 0  4.20
assign (resid 17 and name   HA) (resid 24 and name  HB1) 0.00 0  4.20
assign (resid 17 and name   HA) (resid 24 and name  HB#) 0.00 0  3.96
assign (resid 17 and name   HA) (resid 24 and name  HG2) 0.00 0  4.40
assign (resid 17 and name   HA) (resid 24 and name  HG1) 0.00 0  4.40
assign (resid 17 and name   HA) (resid 24 and name  HG#) 0.00 0  4.11
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  3.70
assign (resid 17 and name  HB1) (resid 18 and name   HN) 0.00 0  3.70
assign (resid 17 and name  HB#) (resid 18 and name   HN) 0.00 0  3.44
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  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  5.40
assign (resid 18 and name   HN) (resid 18 and name  HD#) 0.00 0  5.80
assign (resid 18 and name   HN) (resid 20 and name   HN) 0.00 0  3.80
assign (resid 18 and name   HA) (resid 18 and name  HD#) 0.00 0  5.50
assign (resid 18 and name   HA) (resid 18 and name  HZ#) 0.00 0  6.50
assign (resid 18 and name   HA) (resid 24 and name  HD#) 0.00 0  4.88
assign (resid 18 and name  HB#) (resid 24 and name HH1#) 0.00 0  6.88
assign (resid 18 and name  HG#) (resid 18 and name  HZ#) 0.00 0  7.40
!19 HIS
assign (resid 19 and name   HN) (resid 19 and name  HB1) 0.00 0  3.80
assign (resid 19 and name   HA) (resid 19 and name  HE1) 0.00 0  4.80
assign (resid 19 and name  HB1) (resid 19 and name  HE1) 0.00 0  4.60
!20 SER
assign (resid 20 and name   HN) (resid 20 and name  HB#) 0.00 0  3.72
assign (resid 20 and name   HA) (resid 23 and name  HD#) 0.00 0  5.90
assign (resid 20 and name   HA) (resid 23 and name  HE#) 0.00 0  6.00
assign (resid 20 and name  HB2) (resid 23 and name   HN) 0.00 0  4.40
assign (resid 20 and name  HB2) (resid 23 and name  HD#) 0.00 0  6.00
assign (resid 20 and name  HB2) (resid 23 and name  HE#) 0.00 0  7.10
assign (resid 20 and name  HB1) (resid 23 and name   HN) 0.00 0  4.40
assign (resid 20 and name  HB1) (resid 23 and name  HD#) 0.00 0  6.00
assign (resid 20 and name  HB1) (resid 23 and name  HE#) 0.00 0  7.10
assign (resid 20 and name  HB#) (resid 23 and name   HN) 0.00 0  4.06
assign (resid 20 and name  HB#) (resid 23 and name  HB#) 0.00 0  6.45
assign (resid 20 and name  HB#) (resid 23 and name  HD#) 0.00 0  5.32
assign (resid 20 and name  HB#) (resid 23 and name  HE#) 0.00 0  6.95
!21 MET
assign (resid 21 and name   HA) (resid 21 and name  HE#) 0.00 0  4.40
assign (resid 21 and name   HA) (resid 24 and name   HN) 0.00 0  3.50
assign (resid 21 and name   HA) (resid 24 and name  HB2) 0.00 0  3.90
assign (resid 21 and name   HA) (resid 24 and name  HB1) 0.00 0  3.90
assign (resid 21 and name   HA) (resid 24 and name  HB#) 0.00 0  3.70
assign (resid 21 and name   HA) (resid 24 and name  HG#) 0.00 0  4.58
assign (resid 21 and name   HA) (resid 25 and name   HN) 0.00 0  3.80
assign (resid 21 and name   HA) (resid 25 and name  HB1) 0.00 0  4.40
assign (resid 21 and name  HE#) (resid 25 and name   HN) 0.00 0  4.40
assign (resid 21 and name  HE#) (resid 25 and name HD1#) 0.00 0  5.40
assign (resid 21 and name  HE#) (resid 25 and name HD2#) 0.00 0  5.40
!22 DAP
assign (resid 22 and name   HA) (resid 25 and name  HB1) 0.00 0  3.50
assign (resid 22 and name  HB2) (resid 23 and name   HN) 0.00 0  5.00
assign (resid 22 and name  HB2) (resid 23 and name  HD#) 0.00 0  6.20
assign (resid 22 and name  HB2) (resid 27 and name  HD#) 0.00 0  7.00
assign (resid 22 and name  HB2) (resid 27 and name  HE#) 0.00 0  6.40
assign (resid 22 and name  HB1) (resid 23 and name   HN) 0.00 0  5.00
assign (resid 22 and name  HB1) (resid 23 and name  HD#) 0.00 0  6.20
assign (resid 22 and name  HB1) (resid 27 and name  HD#) 0.00 0  7.00
assign (resid 22 and name  HB1) (resid 27 and name  HE#) 0.00 0  6.40
assign (resid 22 and name  HB#) (resid 23 and name   HN) 0.00 0  4.67
assign (resid 22 and name  HB#) (resid 23 and name  HE#) 0.00 0  8.19
assign (resid 22 and name  HB#) (resid 27 and name  HD#) 0.00 0  6.84
assign (resid 22 and name  HB#) (resid 27 and name   HZ) 0.00 0  4.69
!23 TYR
assign (resid 23 and name   HN) (resid 23 and name  HB2) 0.00 0  3.90
assign (resid 23 and name   HN) (resid 23 and name  HB1) 0.00 0  3.90
assign (resid 23 and name   HN) (resid 23 and name  HE#) 0.00 0  6.00
assign (resid 23 and name   HA) (resid 23 and name  HE#) 0.00 0  5.50
assign (resid 23 and name   HA) (resid 27 and name   HN) 0.00 0  3.40
assign (resid 23 and name   HA) (resid 27 and name  HB#) 0.00 0  4.28
assign (resid 23 and name   HA) (resid 27 and name  HD#) 0.00 0  4.70
assign (resid 23 and name   HA) (resid 27 and name  HE#) 0.00 0  5.40
assign (resid 23 and name   HA) (resid 27 and name   HZ) 0.00 0  5.10
assign (resid 23 and name   HA) (resid 28 and name   HN) 0.00 0  3.80
assign (resid 23 and name  HB2) (resid 27 and name  HD#) 0.00 0  6.50
assign (resid 23 and name  HB1) (resid 27 and name  HD#) 0.00 0  6.50
assign (resid 23 and name  HB#) (resid 24 and name   HN) 0.00 0  3.48
assign (resid 23 and name  HB#) (resid 27 and name  HD#) 0.00 0  6.10
assign (resid 23 and name  HB#) (resid 27 and name  HE#) 0.00 0  7.78
assign (resid 23 and name  HD#) (resid 24 and name   HN) 0.00 0  6.20
assign (resid 23 and name  HD#) (resid 25 and name   HN) 0.00 0  6.40
assign (resid 23 and name  HD#) (resid 27 and name  HB#) 0.00 0  7.08
assign (resid 23 and name  HE#) (resid 27 and name  HB#) 0.00 0  7.88
assign (resid 23 and name  HE#) (resid 27 and name  HD#) 0.00 0  8.80
!24 ARG
assign (resid 24 and name   HN) (resid 24 and name  HB#) 0.00 0  3.72
assign (resid 24 and name   HN) (resid 24 and name  HG2) 0.00 0  4.20
assign (resid 24 and name   HN) (resid 24 and name  HG1) 0.00 0  4.20
assign (resid 24 and name   HN) (resid 24 and name  HG#) 0.00 0  3.96
assign (resid 24 and name   HN) (resid 24 and name  HD#) 0.00 0  5.18
assign (resid 24 and name   HN) (resid 25 and name   HN) 0.00 0  2.90
assign (resid 24 and name   HA) (resid 24 and name  HG#) 0.00 0  3.82
assign (resid 24 and name   HA) (resid 24 and name  HD2) 0.00 0  3.90
assign (resid 24 and name   HA) (resid 24 and name  HD1) 0.00 0  3.90
assign (resid 24 and name   HA) (resid 24 and name  HD#) 0.00 0  3.65
assign (resid 24 and name   HA) (resid 32 and name  HB#) 0.00 0  4.38
assign (resid 24 and name   HA) (resid 33 and name   HN) 0.00 0  5.10
assign (resid 24 and name  HB2) (resid 24 and name   HE) 0.00 0  3.80
assign (resid 24 and name  HB1) (resid 24 and name   HE) 0.00 0  3.80
assign (resid 24 and name  HB#) (resid 32 and name  HB#) 0.00 0  5.55
assign (resid 24 and name  HG2) (resid 24 and name   HE) 0.00 0  3.90
assign (resid 24 and name  HG1) (resid 24 and name   HE) 0.00 0  3.90
assign (resid 24 and name  HG#) (resid 32 and name  HB#) 0.00 0  5.15
assign (resid 24 and name  HD#) (resid 25 and name   HN) 0.00 0  5.68
assign (resid 24 and name   HE) (resid 34 and name HG2#) 0.00 0  4.40
!25 LEU
assign (resid 25 and name   HN) (resid 25 and name  HD#) 0.00 0  5.97
assign (resid 25 and name   HN) (resid 26 and name   HN) 0.00 0  2.90
assign (resid 25 and name  HB2) (resid 27 and name   HN) 0.00 0  4.70
assign (resid 25 and name  HB1) (resid 27 and name   HN) 0.00 0  3.60
assign (resid 25 and name  HD#) (resid 26 and name   HN) 0.00 0  5.97
!26 SER
assign (resid 26 and name   HN) (resid 26 and name  HB#) 0.00 0  3.86
assign (resid 26 and name   HA) (resid 28 and name   HN) 0.00 0  4.40
assign (resid 26 and name  HB#) (resid 27 and name   HN) 0.00 0  4.28
assign (resid 26 and name  HB#) (resid 27 and name  HD#) 0.00 0  7.18
assign (resid 26 and name  HB#) (resid 27 and name  HE#) 0.00 0  7.48
!27 PHE
assign (resid 27 and name   HN) (resid 27 and name  HB#) 0.00 0  3.80
assign (resid 27 and name   HN) (resid 29 and name   HN) 0.00 0  4.10
assign (resid 27 and name   HA) (resid 27 and name  HE#) 0.00 0  5.20
assign (resid 27 and name  HD#) (resid 28 and name   HN) 0.00 0  6.90
!28 CYS
assign (resid 28 and name   HA) (resid 29 and name   HN) 0.00 0  3.40
assign (resid 28 and name   HA) (resid 30 and name   HN) 0.00 0  4.30
assign (resid 28 and name   HA) (resid 31 and name   HN) 0.00 0  4.70
assign (resid 28 and name   HA) (resid 31 and name   HB) 0.00 0  4.20
assign (resid 28 and name   HA) (resid 32 and name   HN) 0.00 0  4.60
assign (resid 28 and name  HB2) (resid 29 and name   HN) 0.00 0  4.50
assign (resid 28 and name  HB2) (resid 31 and name   HB) 0.00 0  3.90
assign (resid 28 and name  HB2) (resid 32 and name   HN) 0.00 0  4.20
assign (resid 28 and name  HB2) (resid 32 and name  HB#) 0.00 0  4.28
assign (resid 28 and name  HB1) (resid 31 and name   HN) 0.00 0  4.50
assign (resid 28 and name  HB1) (resid 31 and name HG2#) 0.00 0  4.40
!29 ARG
assign (resid 29 and name   HN) (resid 29 and name  HB#) 0.00 0  3.72
assign (resid 29 and name   HN) (resid 29 and name  HG#) 0.00 0  4.40
assign (resid 29 and name   HN) (resid 29 and name  HD2) 0.00 0  4.10
assign (resid 29 and name   HN) (resid 29 and name  HD1) 0.00 0  4.10
assign (resid 29 and name   HN) (resid 29 and name  HD#) 0.00 0  3.81
assign (resid 29 and name   HN) (resid 30 and name  HG#) 0.00 0  5.70
assign (resid 29 and name   HA) (resid 29 and name   HE) 0.00 0  5.40
assign (resid 29 and name   HA) (resid 34 and name   HN) 0.00 0  3.70
assign (resid 29 and name   HA) (resid 35 and name   HN) 0.00 0  4.20
assign (resid 29 and name  HB#) (resid 31 and name   HN) 0.00 0  4.58
assign (resid 29 and name  HB#) (resid 32 and name   HN) 0.00 0  5.48
assign (resid 29 and name  HB#) (resid 34 and name   HN) 0.00 0  5.18
assign (resid 29 and name  HB#) (resid 35 and name   HN) 0.00 0  4.68
!30 LYS
assign (resid 30 and name   HN) (resid 30 and name  HG#) 0.00 0  4.50
assign (resid 30 and name   HN) (resid 30 and name  HE#) 0.00 0  5.60
assign (resid 30 and name   HN) (resid 31 and name   HN) 0.00 0  3.20
assign (resid 30 and name   HN) (resid 32 and name   HN) 0.00 0  4.00
assign (resid 30 and name   HA) (resid 30 and name  HE#) 0.00 0  5.00
assign (resid 30 and name   HA) (resid 33 and name   HN) 0.00 0  3.60
!31 THR
assign (resid 31 and name   HN) (resid 31 and name   HB) 0.00 0  3.60
assign (resid 31 and name   HN) (resid 32 and name   HN) 0.00 0  3.50
assign (resid 31 and name   HN) (resid 33 and name   HN) 0.00 0  4.30
assign (resid 31 and name   HB) (resid 32 and name   HN) 0.00 0  3.50
assign (resid 31 and name HG2#) (resid 32 and name   HN) 0.00 0  4.40
!32 CYS
assign (resid 32 and name   HN) (resid 32 and name  HB#) 0.00 0  3.72
assign (resid 32 and name   HN) (resid 33 and name   HN) 0.00 0  2.90
assign (resid 32 and name   HN) (resid 34 and name   HN) 0.00 0  3.80
assign (resid 32 and name  HB2) (resid 33 and name   HN) 0.00 0  4.20
assign (resid 32 and name  HB1) (resid 33 and name   HN) 0.00 0  4.20
assign (resid 32 and name  HB#) (resid 33 and name   HN) 0.00 0  3.96
assign (resid 32 and name  HB#) (resid 34 and name   HN) 0.00 0  4.78
!33 GLY
assign (resid 33 and name   HN) (resid 34 and name   HN) 0.00 0  2.90
!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  2.90
!35 CYS
assign (resid 35 and name   HN) (resid 35 and name  HB2) 0.00 0  3.40
assign (resid 35 and name   HN) (resid 35 and name  HB1) 0.00 0  3.40

# dihedral restraints

restraints dihedral

                reset
      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 4 and name c) (resid 5 and name n)
             (resid 5 and name ca) (resid 5 and name c)  1 -120.0   40.0  2
      assign (resid 5 and name c) (resid 6 and name n)
             (resid 6 and name ca) (resid 6 and name c)  1 -120.0   40.0  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   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 9 and name c) (resid 10 and name n)
             (resid 10 and name ca) (resid 10 and name c)  1  -60.0   40.0  2
      assign (resid 10 and name c) (resid 11 and name n)
             (resid 11 and name ca) (resid 11 and name c)  1 -120.0   40.0  2
      assign (resid 11 and name c) (resid 12 and name n)
             (resid 12 and name ca) (resid 12 and name c)  1 -120.0   40.0  2
      assign (resid 13 and name c) (resid 14 and name n)
             (resid 14 and name ca) (resid 14 and name c)  1  -60.0   40.0  2
      assign (resid 14 and name c) (resid 15 and name n)
             (resid 15 and name ca) (resid 15 and name c)  1  -60.0   30.0  2
      assign (resid 16 and name c) (resid 17 and name n)
             (resid 17 and name ca) (resid 17 and name c)  1  -60.0   40.0  2
      assign (resid 18 and name c) (resid 19 and name n)
             (resid 19 and name ca) (resid 19 and name c)  1 -120.0   40.0  2
      assign (resid 19 and name c) (resid 20 and name n)
             (resid 20 and name ca) (resid 20 and name c)  1 -120.0   40.0  2
      assign (resid 23 and name c) (resid 24 and name n)
             (resid 24 and name ca) (resid 24 and name c)  1  -60.0   40.0  2
      assign (resid 25 and name c) (resid 26 and name n)
             (resid 26 and name ca) (resid 26 and name c)  1 -120.0   40.0  2
      assign (resid 27 and name c) (resid 28 and name n)
             (resid 28 and name ca) (resid 28 and name c)  1 -120.0   40.0  2
      assign (resid 28 and name c) (resid 29 and name n)
             (resid 29 and name ca) (resid 29 and name c)  1  -60.0   30.0  2
      assign (resid 30 and name c) (resid 31 and name n)
             (resid 31 and name ca) (resid 31 and name c)  1  -60.0   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 2 and name c) (resid 3 and name n)
             (resid 3 and name ca) (resid 3 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 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 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 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 -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 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 29 and name c) (resid 30 and name n)
             (resid 30 and name ca) (resid 30 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 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
      assign (resid 5 and name n) (resid 5 and name ca)
             (resid 5 and name cb) (resid 5 and name cg) 1  -60.0   40.0  2
      assign (resid 19 and name n) (resid 19 and name ca)
             (resid 19 and name cb) (resid 19 and name cg) 1  -60.0   40.0  2
      assign (resid 25 and name n) (resid 25 and name ca)
             (resid 25 and name cb) (resid 25 and name cg) 1  180.0   40.0  2
      assign (resid 28 and name n) (resid 28 and name ca)
             (resid 28 and name cb) (resid 28 and name sg) 1  -60.0   40.0  2
      assign (resid 34 and name n) (resid 34 and name ca)
             (resid 34 and name cb) (resid 34 and name cg2) 1  -60.0   40.0  2
      assign (resid 35 and name n) (resid 35 and name ca)
             (resid 35 and name cb) (resid 35 and name sg) 1   60.0   40.0  2
end


  Entry H atom name         Submitted Coord H atom name

  Start of MODEL    1
    1   1H    ARG   1          1H        ARG   1  -1.294  17.714  17.714
    2   2H    ARG   1          3H        ARG   1   0.285  18.317  18.317
    3   3H    ARG   1          2H        ARG   1  -0.494  18.302  18.302
    4    HA   ARG   1           HA       ARG   1   0.238  16.219  16.219
    5   1HB   ARG   1          2HB       ARG   1   2.204  16.996  16.996
    6   2HB   ARG   1          1HB       ARG   1   1.334  16.266  16.266
    7   1HG   ARG   1          2HG       ARG   1   1.405  14.056  14.056
    8   2HG   ARG   1          1HG       ARG   1   2.449  14.813  14.813
    9   1HD   ARG   1          2HD       ARG   1   4.114  15.315  15.315
   10   2HD   ARG   1          1HD       ARG   1   3.012  14.491  14.491
   11    HE   ARG   1           HE       ARG   1   3.320  12.403  12.403
   12   1HH1  ARG   1          1HH2      ARG   1   5.099  14.723  14.723
   13   2HH1  ARG   1          2HH2      ARG   1   6.584  13.849  13.849
   14   1HH2  ARG   1          1HH1      ARG   1   5.160  11.305  11.305
   15   2HH2  ARG   1          2HH1      ARG   1   6.647  11.725  11.725
   16    H    SER   2           H        SER   2  -1.883  15.438  15.438
   17    HA   SER   2           HA       SER   2  -2.987  14.176  14.176
   18   1HB   SER   2          2HB       SER   2  -4.629  15.215  15.215
   19   2HB   SER   2          1HB       SER   2  -5.159  14.899  14.899
   20    HG   SER   2           HG       SER   2  -4.744  17.016  17.016
   21    H    CYS   3           H        CYS   3  -2.916  11.950  11.950
   22    HA   CYS   3           HA       CYS   3  -3.321  10.740  10.740
   23   1HB   CYS   3          2HB       CYS   3  -1.568   9.097   9.097
   24   2HB   CYS   3          1HB       CYS   3  -0.980  10.670  10.670
   25    H    ILE   4           H        ILE   4  -4.338   8.776   8.776
   26    HA   ILE   4           HA       ILE   4  -5.561   8.067   8.067
   27    HB   ILE   4           HB       ILE   4  -7.807   7.977   7.977
   28   1HG1  ILE   4          2HG1      ILE   4  -7.813   9.374   9.374
   29   2HG1  ILE   4          1HG1      ILE   4  -6.273   8.564   8.564
   30   1HG2  ILE   4          1HG2      ILE   4  -7.120  10.094  10.094
   31   2HG2  ILE   4          3HG2      ILE   4  -6.479  10.686  10.686
   32   3HG2  ILE   4          2HG2      ILE   4  -8.198  10.408  10.408
   33   1HD1  ILE   4          3HD1      ILE   4  -8.887   7.131   7.131
   34   2HD1  ILE   4          2HD1      ILE   4  -8.098   7.190   7.190
   35   3HD1  ILE   4          1HD1      ILE   4  -7.342   6.350   6.350
   36    H    ASP   5           H        ASP   5  -6.010   5.932   5.932
   37    HA   ASP   5           HA       ASP   5  -4.714   4.073   4.073
   38   1HB   ASP   5          2HB       ASP   5  -6.654   3.357   3.357
   39   2HB   ASP   5          1HB       ASP   5  -5.375   2.359   2.359
   40    H    THR   6           H        THR   6  -5.816   2.401   2.401
   41    HA   THR   6           HA       THR   6  -8.762   2.616   2.616
   42    HB   THR   6           HB       THR   6  -7.797   4.176   4.176
   43    HG1  THR   6          1HG       THR   6  -8.844   1.715   1.715
   44   1HG2  THR   6          1HG2      THR   6  -6.255   1.751   1.751
   45   2HG2  THR   6          3HG2      THR   6  -6.289   3.355   3.355
   46   3HG2  THR   6          2HG2      THR   6  -5.499   3.096   3.096
   47    H    ILE   7           H        ILE   7  -6.836   0.932   0.932
   48    HA   ILE   7           HA       ILE   7  -7.396  -1.625  -1.625
   49    HB   ILE   7           HB       ILE   7  -5.033  -0.753  -0.753
   50   1HG1  ILE   7          2HG1      ILE   7  -3.782  -2.742  -2.742
   51   2HG1  ILE   7          1HG1      ILE   7  -5.334  -3.309  -3.309
   52   1HG2  ILE   7          3HG2      ILE   7  -4.925   0.430   0.430
   53   2HG2  ILE   7          2HG2      ILE   7  -4.893  -1.120  -1.120
   54   3HG2  ILE   7          1HG2      ILE   7  -3.602  -0.666  -0.666
   55   1HD1  ILE   7          3HD1      ILE   7  -6.144  -3.306  -3.306
   56   2HD1  ILE   7          2HD1      ILE   7  -4.544  -2.781  -2.781
   57   3HD1  ILE   7          1HD1      ILE   7  -4.764  -4.361  -4.361
   58    HA   PRO   8           HA       PRO   8  -8.447  -2.960  -2.960
   59   1HB   PRO   8          2HB       PRO   8  -8.099  -5.616  -5.616
   60   2HB   PRO   8          1HB       PRO   8  -9.534  -4.844  -4.844
   61   1HG   PRO   8          2HG       PRO   8  -6.843  -5.351  -5.351
   62   2HG   PRO   8          1HG       PRO   8  -8.442  -5.940  -5.940
   63   1HD   PRO   8          2HD       PRO   8  -7.622  -3.675  -3.675
   64   2HD   PRO   8          1HD       PRO   8  -9.267  -3.693  -3.693
   65    H    LYS   9           H        LYS   9  -7.052  -2.549  -2.549
   66    HA   LYS   9           HA       LYS   9  -4.248  -2.479  -2.479
   67   1HB   LYS   9          2HB       LYS   9  -5.638  -1.484  -1.484
   68   2HB   LYS   9          1HB       LYS   9  -5.893  -3.092  -3.092
   69   1HG   LYS   9          2HG       LYS   9  -3.055  -2.310  -2.310
   70   2HG   LYS   9          1HG       LYS   9  -3.861  -1.525  -1.525
   71   1HD   LYS   9          2HD       LYS   9  -4.186  -3.681  -3.681
   72   2HD   LYS   9          1HD       LYS   9  -3.664  -4.537  -4.537
   73   1HE   LYS   9          2HE       LYS   9  -1.752  -4.372  -4.372
   74   2HE   LYS   9          1HE       LYS   9  -1.389  -3.524  -3.524
   75   1HZ   LYS   9          3HZ       LYS   9  -2.709  -1.717  -1.717
   76   2HZ   LYS   9          2HZ       LYS   9  -1.447  -2.444  -2.444
   77   3HZ   LYS   9          1HZ       LYS   9  -1.135  -1.625  -1.625
   78    H    SER  10           H        SER  10  -6.440  -4.884  -4.884
   79    HA   SER  10           HA       SER  10  -5.106  -6.958  -6.958
   80   1HB   SER  10          2HB       SER  10  -6.857  -7.613  -7.613
   81   2HB   SER  10          1HB       SER  10  -7.012  -8.218  -8.218
   82    HG   SER  10           HG       SER  10  -8.537  -6.701  -6.701
   83    H    ARG  11           H        ARG  11  -5.000  -5.830  -5.830
   84    HA   ARG  11           HA       ARG  11  -3.253  -7.926  -7.926
   85   1HB   ARG  11          2HB       ARG  11  -5.044  -6.268  -6.268
   86   2HB   ARG  11          1HB       ARG  11  -3.634  -5.234  -5.234
   87   1HG   ARG  11          2HG       ARG  11  -3.832  -6.452  -6.452
   88   2HG   ARG  11          1HG       ARG  11  -2.413  -6.937  -6.937
   89   1HD   ARG  11          2HD       ARG  11  -3.488  -8.971  -8.971
   90   2HD   ARG  11          1HD       ARG  11  -5.004  -8.531  -8.531
   91    HE   ARG  11           HE       ARG  11  -2.437  -8.962  -8.962
   92   1HH1  ARG  11          1HH2      ARG  11  -4.818  -8.129  -8.129
   93   2HH1  ARG  11          2HH2      ARG  11  -5.433  -9.594  -9.594
   94   1HH2  ARG  11          2HH1      ARG  11  -3.539 -11.458 -11.458
   95   2HH2  ARG  11          1HH1      ARG  11  -4.661 -11.679 -11.679
   96    H    CYS  12           H        CYS  12  -2.976  -4.685  -4.685
   97    HA   CYS  12           HA       CYS  12  -0.016  -4.798  -4.798
   98   1HB   CYS  12          2HB       CYS  12  -1.938  -2.604  -2.604
   99   2HB   CYS  12          1HB       CYS  12  -0.551  -2.412  -2.412
  100    H    THR  13           H        THR  13  -0.965  -6.653  -6.653
  101    HA   THR  13           HA       THR  13  -0.766  -6.001  -6.001
  102    HB   THR  13           HB       THR  13  -2.036  -8.009  -8.009
  103    HG1  THR  13          1HG       THR  13  -0.125  -9.498  -9.498
  104   1HG2  THR  13          3HG2      THR  13   0.554  -9.074  -9.074
  105   2HG2  THR  13          2HG2      THR  13  -0.976  -9.936  -9.936
  106   3HG2  THR  13          1HG2      THR  13  -0.882  -8.543  -8.543
  107    H    ALA  14           H        ALA  14   0.974  -7.038  -7.038
  108    HA   ALA  14           HA       ALA  14   3.462  -5.821  -5.821
  109   1HB   ALA  14          3HB       ALA  14   2.979  -8.341  -8.341
  110   2HB   ALA  14          2HB       ALA  14   4.414  -7.334  -7.334
  111   3HB   ALA  14          1HB       ALA  14   2.871  -6.691  -6.691
  112    H    PHE  15           H        PHE  15   2.163  -8.683  -8.683
  113    HA   PHE  15           HA       PHE  15   4.648  -9.912  -9.912
  114   1HB   PHE  15          2HB       PHE  15   2.034 -10.885 -10.885
  115   2HB   PHE  15          1HB       PHE  15   3.371 -11.786 -11.786
  116    HD1  PHE  15          1HD       PHE  15   3.630 -10.579 -10.579
  117    HD2  PHE  15          2HD       PHE  15   0.150 -11.651 -11.651
  118    HE1  PHE  15          1HE       PHE  15   2.378 -10.875 -10.875
  119    HE2  PHE  15          2HE       PHE  15  -1.092 -11.939 -11.939
  120    HZ   PHE  15           HZ       PHE  15   0.017 -11.547 -11.547
  121    H    GLN  16           H        GLN  16   2.378  -7.736  -7.736
  122    HA   GLN  16           HA       GLN  16   3.748  -7.989  -7.989
  123   1HB   GLN  16          2HB       GLN  16   1.043  -6.851  -6.851
  124   2HB   GLN  16          1HB       GLN  16   1.799  -7.744  -7.744
  125   1HG   GLN  16          2HG       GLN  16   1.900  -9.680  -9.680
  126   2HG   GLN  16          1HG       GLN  16   0.393  -8.886  -8.886
  127   1HE2  GLN  16          2HE2      GLN  16   0.658 -10.935 -10.935
  128   2HE2  GLN  16          1HE2      GLN  16   2.053 -10.682 -10.682
  129    H    CYS  17           H        CYS  17   3.127  -6.117  -6.117
  130    HA   CYS  17           HA       CYS  17   2.917  -3.467  -3.467
  131   1HB   CYS  17          2HB       CYS  17   2.214  -4.101  -4.101
  132   2HB   CYS  17          1HB       CYS  17   3.884  -4.171  -4.171
  133    H    LYS  18           H        LYS  18   5.563  -5.292  -5.292
  134    HA   LYS  18           HA       LYS  18   7.492  -3.354  -3.354
  135   1HB   LYS  18          2HB       LYS  18   7.642  -3.497  -3.497
  136   2HB   LYS  18          1HB       LYS  18   7.753  -5.237  -5.237
  137   1HG   LYS  18          2HG       LYS  18  10.007  -5.077  -5.077
  138   2HG   LYS  18          1HG       LYS  18   9.896  -3.325  -3.325
  139   1HD   LYS  18          2HD       LYS  18  10.074  -3.290  -3.290
  140   2HD   LYS  18          1HD       LYS  18   9.475  -4.925  -4.925
  141   1HE   LYS  18          2HE       LYS  18  11.901  -4.818  -4.818
  142   2HE   LYS  18          1HE       LYS  18  11.563  -5.865  -5.865
  143   1HZ   LYS  18          3HZ       LYS  18  11.979  -3.249  -3.249
  144   2HZ   LYS  18          2HZ       LYS  18  13.253  -3.638  -3.638
  145   3HZ   LYS  18          1HZ       LYS  18  12.906  -4.638  -4.638
  146    H    HIS  19           H        HIS  19   6.003  -5.599  -5.599
  147    HA   HIS  19           HA       HIS  19   8.225  -7.158  -7.158
  148   1HB   HIS  19          2HB       HIS  19   5.979  -8.163  -8.163
  149   2HB   HIS  19          1HB       HIS  19   6.195  -9.063  -9.063
  150    HD1  HIS  19          1HD       HIS  19   8.572 -10.026 -10.026
  151    HD2  HIS  19          2HD       HIS  19   7.755  -8.659  -8.659
  152    HE1  HIS  19          1HE       HIS  19  10.265 -10.956 -10.956
  153    H    SER  20           H        SER  20   4.845  -6.302  -6.302
  154    HA   SER  20           HA       SER  20   4.970  -6.474  -6.474
  155   1HB   SER  20          2HB       SER  20   2.471  -6.427  -6.427
  156   2HB   SER  20          1HB       SER  20   2.575  -6.866  -6.866
  157    HG   SER  20           HG       SER  20   4.306  -8.310  -8.310
  158    H    MET  21           H        MET  21   5.985  -4.359  -4.359
  159    HA   MET  21           HA       MET  21   4.607  -1.938  -1.938
  160   1HB   MET  21          2HB       MET  21   6.231  -0.848  -0.848
  161   2HB   MET  21          1HB       MET  21   7.047  -1.985  -1.985
  162   1HG   MET  21          2HG       MET  21   7.722  -3.239  -3.239
  163   2HG   MET  21          1HG       MET  21   6.119  -3.392  -3.392
  164   1HE   MET  21          3HE       MET  21   4.962  -1.351  -1.351
  165   2HE   MET  21          2HE       MET  21   5.876   0.119   0.119
  166   3HE   MET  21          1HE       MET  21   5.608  -0.423  -0.423
  167   1HN   DNP  22           HN       DAP  22   4.009  -4.155  -4.155
  168    HA   DNP  22           HA       DAP  22   2.711  -2.452  -2.452
  169   1HB   DNP  22          1HB       DAP  22   2.900  -4.800  -4.800
  170   2HB   DNP  22          2HB       DAP  22   1.186  -4.449  -4.449
  171   1HG   DNP  22          1HG       DAP  22   2.149  -5.119  -5.119
  172   2HG   DNP  22          2HG       DAP  22   2.748  -6.302  -6.302
  173   3HG   DNP  22          3HG       DAP  22   1.083  -5.993  -5.993
  174    H    TYR  23           H        TYR  23   1.933  -3.136  -3.136
  175    HA   TYR  23           HA       TYR  23  -0.726  -1.881  -1.881
  176   1HB   TYR  23          2HB       TYR  23   0.175  -3.562  -3.562
  177   2HB   TYR  23          1HB       TYR  23  -1.461  -3.157  -3.157
  178    HD1  TYR  23          2HD       TYR  23  -1.662  -4.014  -4.014
  179    HD2  TYR  23          1HD       TYR  23   0.290  -5.838  -5.838
  180    HE1  TYR  23          2HE       TYR  23  -1.935  -6.216  -6.216
  181    HE2  TYR  23          1HE       TYR  23   0.027  -8.030  -8.030
  182    HH   TYR  23           HH       TYR  23  -0.936  -8.527  -8.527
  183    H    ARG  24           H        ARG  24   1.900  -2.318  -2.318
  184    HA   ARG  24           HA       ARG  24   1.612   0.049   0.049
  185   1HB   ARG  24          2HB       ARG  24   3.100  -2.229  -2.229
  186   2HB   ARG  24          1HB       ARG  24   4.345  -1.161  -1.161
  187   1HG   ARG  24          2HG       ARG  24   2.682   0.000   0.000
  188   2HG   ARG  24          1HG       ARG  24   3.554  -1.400  -1.400
  189   1HD   ARG  24          2HD       ARG  24   5.273   0.393   0.393
  190   2HD   ARG  24          1HD       ARG  24   4.481   1.230   1.230
  191    HE   ARG  24           HE       ARG  24   6.085  -1.263  -1.263
  192   1HH1  ARG  24          1HH2      ARG  24   4.222  -0.352  -0.352
  193   2HH1  ARG  24          2HH2      ARG  24   5.195   0.485   0.485
  194   1HH2  ARG  24          2HH1      ARG  24   7.774   0.644   0.644
  195   2HH2  ARG  24          1HH1      ARG  24   7.483   1.096   1.096
  196    H    LEU  25           H        LEU  25   2.300   0.047   0.047
  197    HA   LEU  25           HA       LEU  25   4.278   2.190   2.190
  198   1HB   LEU  25          2HB       LEU  25   4.162   0.757   0.757
  199   2HB   LEU  25          1HB       LEU  25   2.490   0.731   0.731
  200    HG   LEU  25           HG       LEU  25   3.255   3.501   3.501
  201   1HD1  LEU  25          1HD1      LEU  25   5.618   2.773   2.773
  202   2HD1  LEU  25          3HD1      LEU  25   5.189   1.675   1.675
  203   3HD1  LEU  25          2HD1      LEU  25   5.009   3.399   3.399
  204   1HD2  LEU  25          3HD2      LEU  25   1.483   2.235   2.235
  205   2HD2  LEU  25          2HD2      LEU  25   2.596   3.019   3.019
  206   3HD2  LEU  25          1HD2      LEU  25   2.735   1.295   1.295
  207    H    SER  26           H        SER  26   1.280   2.276   2.276
  208    HA   SER  26           HA       SER  26   0.437   4.649   4.649
  209   1HB   SER  26          2HB       SER  26   1.218   4.688   4.688
  210   2HB   SER  26          1HB       SER  26  -0.528   4.981   4.981
  211    HG   SER  26           HG       SER  26   1.406   6.646   6.646
  212    H    PHE  27           H        PHE  27  -0.339   1.599   1.599
  213    HA   PHE  27           HA       PHE  27  -3.227   2.056   2.056
  214   1HB   PHE  27          2HB       PHE  27  -1.897  -0.485  -0.485
  215   2HB   PHE  27          1HB       PHE  27  -3.499  -0.303  -0.303
  216    HD1  PHE  27          1HD       PHE  27  -0.499   1.134   1.134
  217    HD2  PHE  27          2HD       PHE  27  -3.466  -1.926  -1.926
  218    HE1  PHE  27          1HE       PHE  27   0.121   0.394   0.394
  219    HE2  PHE  27          2HE       PHE  27  -2.835  -2.655  -2.655
  220    HZ   PHE  27           HZ       PHE  27  -1.024  -1.512  -1.512
  221    H    CYS  28           H        CYS  28  -1.051   1.047   1.047
  222    HA   CYS  28           HA       CYS  28  -3.195   1.720   1.720
  223   1HB   CYS  28          2HB       CYS  28  -0.771   0.338   0.338
  224   2HB   CYS  28          1HB       CYS  28  -2.449  -0.038  -0.038
  225    H    ARG  29           H        ARG  29  -1.924   3.635   3.635
  226    HA   ARG  29           HA       ARG  29   0.294   4.911   4.911
  227   1HB   ARG  29          2HB       ARG  29  -2.538   5.650   5.650
  228   2HB   ARG  29          1HB       ARG  29  -1.417   6.924   6.924
  229   1HG   ARG  29          2HG       ARG  29  -0.232   6.368   6.368
  230   2HG   ARG  29          1HG       ARG  29  -1.213   4.913   4.913
  231   1HD   ARG  29          2HD       ARG  29  -3.091   5.956   5.956
  232   2HD   ARG  29          1HD       ARG  29  -2.623   7.530   7.530
  233    HE   ARG  29           HE       ARG  29  -0.840   6.948   6.948
  234   1HH1  ARG  29          1HH2      ARG  29  -3.284   5.313   5.313
  235   2HH1  ARG  29          2HH2      ARG  29  -4.219   6.289   6.289
  236   1HH2  ARG  29          2HH1      ARG  29  -2.158   9.093   9.093
  237   2HH2  ARG  29          1HH1      ARG  29  -3.456   8.653   8.653
  238    H    LYS  30           H        LYS  30  -2.383   5.283   5.283
  239    HA   LYS  30           HA       LYS  30  -0.550   6.347   6.347
  240   1HB   LYS  30          2HB       LYS  30  -3.467   6.027   6.027
  241   2HB   LYS  30          1HB       LYS  30  -2.421   7.416   7.416
  242   1HG   LYS  30          2HG       LYS  30  -2.603   7.633   7.633
  243   2HG   LYS  30          1HG       LYS  30  -3.963   6.552   6.552
  244   1HD   LYS  30          2HD       LYS  30  -4.896   8.753   8.753
  245   2HD   LYS  30          1HD       LYS  30  -4.989   8.215   8.215
  246   1HE   LYS  30          2HE       LYS  30  -2.427   9.597   9.597
  247   2HE   LYS  30          1HE       LYS  30  -3.869  10.598  10.598
  248   1HZ   LYS  30          1HZ       LYS  30  -3.950   9.129   9.129
  249   2HZ   LYS  30          3HZ       LYS  30  -2.353   9.694   9.694
  250   3HZ   LYS  30          2HZ       LYS  30  -3.656  10.788  10.788
  251    H    THR  31           H        THR  31  -3.019   4.003   4.003
  252    HA   THR  31           HA       THR  31  -3.232   2.409   2.409
  253    HB   THR  31           HB       THR  31  -2.918   1.592   1.592
  254    HG1  THR  31          1HG       THR  31  -4.827   2.673   2.673
  255   1HG2  THR  31          2HG2      THR  31  -3.809  -0.127  -0.127
  256   2HG2  THR  31          1HG2      THR  31  -3.820  -0.538  -0.538
  257   3HG2  THR  31          3HG2      THR  31  -2.283  -0.394  -0.394
  258    H    CYS  32           H        CYS  32  -0.348   2.463   2.463
  259    HA   CYS  32           HA       CYS  32   0.964   0.628   0.628
  260   1HB   CYS  32          2HB       CYS  32   1.186   0.989   0.989
  261   2HB   CYS  32          1HB       CYS  32   2.709   0.823   0.823
  262    H    GLY  33           H        GLY  33   1.289   3.534   3.534
  263   1HA   GLY  33          2HA       GLY  33   2.127   5.564   5.564
  264   2HA   GLY  33          1HA       GLY  33   3.220   4.517   4.517
  265    H    THR  34           H        THR  34   2.398   4.891   4.891
  266    HA   THR  34           HA       THR  34   5.268   5.446   5.446
  267    HB   THR  34           HB       THR  34   4.175   4.246   4.246
  268    HG1  THR  34          1HG       THR  34   2.912   2.790   2.790
  269   1HG2  THR  34          1HG2      THR  34   5.649   2.882   2.882
  270   2HG2  THR  34          3HG2      THR  34   5.617   2.347   2.347
  271   3HG2  THR  34          2HG2      THR  34   6.466   3.803   3.803
  272    H    CYS  35           HN       CYS  35   2.298   7.026   7.026
  273    HA   CYS  35           HA       CYS  35   3.150   8.396   8.396
  274   1HB   CYS  35          2HB       CYS  35   0.960   8.946   8.946
  275   2HB   CYS  35          1HB       CYS  35   0.951   7.255   7.255

  Start of MODEL    2
    1   1H    ARG   1          3H        ARG   1   1.044  13.294  13.294
    2   2H    ARG   1          2H        ARG   1   2.039  14.604  14.604
    3   3H    ARG   1          1H        ARG   1   2.378  13.642  13.642
    4    HA   ARG   1           HA       ARG   1   1.172  14.967  14.967
    5   1HB   ARG   1          2HB       ARG   1   0.738  16.509  16.509
    6   2HB   ARG   1          1HB       ARG   1  -0.316  16.862  16.862
    7   1HG   ARG   1          2HG       ARG   1   2.137  17.054  17.054
    8   2HG   ARG   1          1HG       ARG   1   2.579  17.540  17.540
    9   1HD   ARG   1          2HD       ARG   1   0.732  19.249  19.249
   10   2HD   ARG   1          1HD       ARG   1   0.236  18.729  18.729
   11    HE   ARG   1           HE       ARG   1   2.602  19.488  19.488
   12   1HH1  ARG   1          1HH2      ARG   1   3.611  20.365  20.365
   13   2HH1  ARG   1          2HH2      ARG   1   3.255  22.047  22.047
   14   1HH2  ARG   1          1HH1      ARG   1   0.818  21.687  21.687
   15   2HH2  ARG   1          2HH1      ARG   1   1.519  22.866  22.866
   16    H    SER   2           H        SER   2  -1.028  14.936  14.936
   17    HA   SER   2           HA       SER   2  -3.125  13.872  13.872
   18   1HB   SER   2          2HB       SER   2  -3.477  15.045  15.045
   19   2HB   SER   2          1HB       SER   2  -4.756  14.672  14.672
   20    HG   SER   2           HG       SER   2  -4.368  16.698  16.698
   21    H    CYS   3           H        CYS   3  -3.916  11.878  11.878
   22    HA   CYS   3           HA       CYS   3  -3.757  10.531  10.531
   23   1HB   CYS   3          2HB       CYS   3  -2.034   8.838   8.838
   24   2HB   CYS   3          1HB       CYS   3  -1.371  10.410  10.410
   25    H    ILE   4           H        ILE   4  -4.802   8.544   8.544
   26    HA   ILE   4           HA       ILE   4  -5.825   7.771   7.771
   27    HB   ILE   4           HB       ILE   4  -8.135   7.632   7.632
   28   1HG1  ILE   4          2HG1      ILE   4  -8.310   9.273   9.273
   29   2HG1  ILE   4          1HG1      ILE   4  -6.659   8.790   8.790
   30   1HG2  ILE   4          3HG2      ILE   4  -7.559   9.619   9.619
   31   2HG2  ILE   4          2HG2      ILE   4  -6.931  10.428  10.428
   32   3HG2  ILE   4          1HG2      ILE   4  -8.641  10.061  10.061
   33   1HD1  ILE   4          1HD1      ILE   4  -8.986   6.834   6.834
   34   2HD1  ILE   4          3HD1      ILE   4  -8.225   7.261   7.261
   35   3HD1  ILE   4          2HD1      ILE   4  -7.344   6.360   6.360
   36    H    ASP   5           H        ASP   5  -6.203   5.470   5.470
   37    HA   ASP   5           HA       ASP   5  -4.696   3.997   3.997
   38   1HB   ASP   5          2HB       ASP   5  -6.574   2.896   2.896
   39   2HB   ASP   5          1HB       ASP   5  -5.177   2.112   2.112
   40    H    THR   6           H        THR   6  -5.690   2.178   2.178
   41    HA   THR   6           HA       THR   6  -8.594   2.462   2.462
   42    HB   THR   6           HB       THR   6  -7.431   3.920   3.920
   43    HG1  THR   6          1HG       THR   6  -8.481   1.440   1.440
   44   1HG2  THR   6          3HG2      THR   6  -5.174   2.745   2.745
   45   2HG2  THR   6          2HG2      THR   6  -5.891   1.395   1.395
   46   3HG2  THR   6          1HG2      THR   6  -5.782   2.974   2.974
   47    H    ILE   7           H        ILE   7  -6.728   0.746   0.746
   48    HA   ILE   7           HA       ILE   7  -7.461  -1.826  -1.826
   49    HB   ILE   7           HB       ILE   7  -5.112  -1.229  -1.229
   50   1HG1  ILE   7          2HG1      ILE   7  -3.881  -3.120  -3.120
   51   2HG1  ILE   7          1HG1      ILE   7  -5.394  -3.513  -3.513
   52   1HG2  ILE   7          3HG2      ILE   7  -4.747   0.186   0.186
   53   2HG2  ILE   7          2HG2      ILE   7  -4.722  -1.251  -1.251
   54   3HG2  ILE   7          1HG2      ILE   7  -3.464  -0.985  -0.985
   55   1HD1  ILE   7          3HD1      ILE   7  -6.397  -3.736  -3.736
   56   2HD1  ILE   7          2HD1      ILE   7  -4.791  -3.446  -3.446
   57   3HD1  ILE   7          1HD1      ILE   7  -5.114  -4.882  -4.882
   58    HA   PRO   8           HA       PRO   8  -8.444  -3.033  -3.033
   59   1HB   PRO   8          2HB       PRO   8  -8.039  -5.710  -5.710
   60   2HB   PRO   8          1HB       PRO   8  -9.503  -4.952  -4.952
   61   1HG   PRO   8          2HG       PRO   8  -6.834  -5.385  -5.385
   62   2HG   PRO   8          1HG       PRO   8  -8.419  -6.055  -6.055
   63   1HD   PRO   8          2HD       PRO   8  -7.831  -3.781  -3.781
   64   2HD   PRO   8          1HD       PRO   8  -9.366  -3.788  -3.788
   65    H    LYS   9           H        LYS   9  -7.107  -2.660  -2.660
   66    HA   LYS   9           HA       LYS   9  -4.287  -2.617  -2.617
   67   1HB   LYS   9          2HB       LYS   9  -5.648  -1.608  -1.608
   68   2HB   LYS   9          1HB       LYS   9  -6.027  -3.210  -3.210
   69   1HG   LYS   9          2HG       LYS   9  -3.107  -2.676  -2.676
   70   2HG   LYS   9          1HG       LYS   9  -3.904  -1.760  -1.760
   71   1HD   LYS   9          2HD       LYS   9  -4.416  -3.702  -3.702
   72   2HD   LYS   9          1HD       LYS   9  -4.183  -4.749  -4.749
   73   1HE   LYS   9          2HE       LYS   9  -2.222  -4.750  -4.750
   74   2HE   LYS   9          1HE       LYS   9  -1.803  -4.494  -4.494
   75   1HZ   LYS   9          1HZ       LYS   9  -2.298  -1.976  -1.976
   76   2HZ   LYS   9          3HZ       LYS   9  -1.186  -2.826  -2.826
   77   3HZ   LYS   9          2HZ       LYS   9  -0.886  -2.550  -2.550
   78    H    SER  10           H        SER  10  -6.525  -4.952  -4.952
   79    HA   SER  10           HA       SER  10  -5.359  -7.131  -7.131
   80   1HB   SER  10          2HB       SER  10  -7.096  -7.562  -7.562
   81   2HB   SER  10          1HB       SER  10  -7.308  -8.255  -8.255
   82    HG   SER  10           HG       SER  10  -8.749  -6.659  -6.659
   83    H    ARG  11           H        ARG  11  -5.042  -5.943  -5.943
   84    HA   ARG  11           HA       ARG  11  -3.307  -8.163  -8.163
   85   1HB   ARG  11          2HB       ARG  11  -4.795  -6.446  -6.446
   86   2HB   ARG  11          1HB       ARG  11  -3.307  -5.526  -5.526
   87   1HG   ARG  11          2HG       ARG  11  -3.085  -6.930  -6.930
   88   2HG   ARG  11          1HG       ARG  11  -2.027  -7.601  -7.601
   89   1HD   ARG  11          2HD       ARG  11  -3.942  -9.208  -9.208
   90   2HD   ARG  11          1HD       ARG  11  -4.807  -8.602  -8.602
   91    HE   ARG  11           HE       ARG  11  -2.099  -9.940  -9.940
   92   1HH1  ARG  11          2HH1      ARG  11  -2.542  -8.851  -8.851
   93   2HH1  ARG  11          1HH1      ARG  11  -3.530  -9.956  -9.956
   94   1HH2  ARG  11          1HH2      ARG  11  -4.457 -11.637 -11.637
   95   2HH2  ARG  11          2HH2      ARG  11  -4.667 -11.678 -11.678
   96    H    CYS  12           H        CYS  12  -3.061  -4.882  -4.882
   97    HA   CYS  12           HA       CYS  12  -0.076  -5.103  -5.103
   98   1HB   CYS  12          2HB       CYS  12  -1.970  -2.876  -2.876
   99   2HB   CYS  12          1HB       CYS  12  -0.586  -2.723  -2.723
  100    H    THR  13           H        THR  13  -0.981  -6.923  -6.923
  101    HA   THR  13           HA       THR  13  -1.153  -6.578  -6.578
  102    HB   THR  13           HB       THR  13  -2.269  -8.571  -8.571
  103    HG1  THR  13          1HG       THR  13  -0.357 -10.097 -10.097
  104   1HG2  THR  13          3HG2      THR  13   0.451  -9.298  -9.298
  105   2HG2  THR  13          2HG2      THR  13  -1.011 -10.289 -10.289
  106   3HG2  THR  13          1HG2      THR  13  -0.959  -8.782  -8.782
  107    H    ALA  14           H        ALA  14   0.634  -7.523  -7.523
  108    HA   ALA  14           HA       ALA  14   3.042  -6.146  -6.146
  109   1HB   ALA  14          3HB       ALA  14   2.721  -8.813  -8.813
  110   2HB   ALA  14          2HB       ALA  14   4.081  -7.723  -7.723
  111   3HB   ALA  14          1HB       ALA  14   2.497  -7.228  -7.228
  112    H    PHE  15           H        PHE  15   1.941  -9.081  -9.081
  113    HA   PHE  15           HA       PHE  15   4.368 -10.238 -10.238
  114   1HB   PHE  15          2HB       PHE  15   1.810 -10.744 -10.744
  115   2HB   PHE  15          1HB       PHE  15   3.040 -11.853 -11.853
  116    HD1  PHE  15          2HD       PHE  15   2.821 -10.738 -10.738
  117    HD2  PHE  15          1HD       PHE  15   0.088 -12.285 -12.285
  118    HE1  PHE  15          2HE       PHE  15   1.321 -11.448 -11.448
  119    HE2  PHE  15          1HE       PHE  15  -1.401 -12.993 -12.993
  120    HZ   PHE  15           HZ       PHE  15  -0.792 -12.576 -12.576
  121    H    GLN  16           H        GLN  16   2.121  -7.965  -7.965
  122    HA   GLN  16           HA       GLN  16   3.914  -7.790  -7.790
  123   1HB   GLN  16          2HB       GLN  16   1.090  -6.755  -6.755
  124   2HB   GLN  16          1HB       GLN  16   2.115  -7.404  -7.404
  125   1HG   GLN  16          2HG       GLN  16   1.976  -9.578  -9.578
  126   2HG   GLN  16          1HG       GLN  16   0.378  -8.904  -8.904
  127   1HE2  GLN  16          2HE2      GLN  16   1.482 -10.754 -10.754
  128   2HE2  GLN  16          1HE2      GLN  16   2.669 -10.320 -10.320
  129    H    CYS  17           H        CYS  17   2.563  -6.025  -6.025
  130    HA   CYS  17           HA       CYS  17   2.680  -3.304  -3.304
  131   1HB   CYS  17          2HB       CYS  17   1.731  -4.451  -4.451
  132   2HB   CYS  17          1HB       CYS  17   3.263  -4.066  -4.066
  133    H    LYS  18           H        LYS  18   5.022  -5.471  -5.471
  134    HA   LYS  18           HA       LYS  18   7.140  -3.377  -3.377
  135   1HB   LYS  18          2HB       LYS  18   6.780  -4.460  -4.460
  136   2HB   LYS  18          1HB       LYS  18   7.463  -5.897  -5.897
  137   1HG   LYS  18          2HG       LYS  18   9.564  -4.846  -4.846
  138   2HG   LYS  18          1HG       LYS  18   9.032  -3.272  -3.272
  139   1HD   LYS  18          2HD       LYS  18   8.830  -5.476  -5.476
  140   2HD   LYS  18          1HD       LYS  18  10.448  -5.078  -5.078
  141   1HE   LYS  18          2HE       LYS  18   9.566  -3.773  -3.773
  142   2HE   LYS  18          1HE       LYS  18  10.267  -2.802  -2.802
  143   1HZ   LYS  18          1HZ       LYS  18   7.556  -3.152  -3.152
  144   2HZ   LYS  18          3HZ       LYS  18   7.635  -2.698  -2.698
  145   3HZ   LYS  18          2HZ       LYS  18   8.341  -1.717  -1.717
  146    H    HIS  19           H        HIS  19   5.704  -5.492  -5.492
  147    HA   HIS  19           HA       HIS  19   8.154  -6.452  -6.452
  148   1HB   HIS  19          2HB       HIS  19   5.926  -8.299  -8.299
  149   2HB   HIS  19          1HB       HIS  19   7.053  -8.713  -8.713
  150    HD1  HIS  19          1HD       HIS  19   9.604  -8.595  -8.595
  151    HD2  HIS  19          2HD       HIS  19   6.871  -8.714  -8.714
  152    HE1  HIS  19          1HE       HIS  19  10.779  -9.288  -9.288
  153    H    SER  20           H        SER  20   4.565  -6.397  -6.397
  154    HA   SER  20           HA       SER  20   4.992  -6.510  -6.510
  155   1HB   SER  20          2HB       SER  20   2.338  -6.367  -6.367
  156   2HB   SER  20          1HB       SER  20   2.670  -6.968  -6.968
  157    HG   SER  20           HG       SER  20   4.288  -8.172  -8.172
  158    H    MET  21           H        MET  21   5.906  -4.488  -4.488
  159    HA   MET  21           HA       MET  21   4.723  -1.999  -1.999
  160   1HB   MET  21          2HB       MET  21   6.480  -2.768  -2.768
  161   2HB   MET  21          1HB       MET  21   5.979  -1.120  -1.120
  162   1HG   MET  21          2HG       MET  21   6.951  -1.942  -1.942
  163   2HG   MET  21          1HG       MET  21   8.013  -2.726  -2.726
  164   1HE   MET  21          2HE       MET  21   6.160   0.368   0.368
  165   2HE   MET  21          1HE       MET  21   7.291   1.684   1.684
  166   3HE   MET  21          3HE       MET  21   6.523   1.058   1.058
  167   1HN   DNP  22           HN       DAP  22   3.723  -4.310  -4.310
  168    HA   DNP  22           HA       DAP  22   2.292  -2.475  -2.475
  169   1HB   DNP  22          1HB       DAP  22   0.890  -4.329  -4.329
  170   2HB   DNP  22          2HB       DAP  22   1.245  -5.243  -5.243
  171   1HG   DNP  22          1HG       DAP  22   3.696  -4.553  -4.553
  172   2HG   DNP  22          2HG       DAP  22   2.669  -5.238  -5.238
  173   3HG   DNP  22          3HG       DAP  22   3.033  -6.107  -6.107
  174    H    TYR  23           H        TYR  23   1.744  -3.295  -3.295
  175    HA   TYR  23           HA       TYR  23  -0.899  -1.903  -1.903
  176   1HB   TYR  23          2HB       TYR  23  -0.056  -3.507  -3.507
  177   2HB   TYR  23          1HB       TYR  23  -1.673  -3.190  -3.190
  178    HD1  TYR  23          2HD       TYR  23  -1.736  -4.105  -4.105
  179    HD2  TYR  23          1HD       TYR  23   0.317  -5.795  -5.795
  180    HE1  TYR  23          2HE       TYR  23  -1.803  -6.297  -6.297
  181    HE2  TYR  23          1HE       TYR  23   0.256  -7.963  -7.963
  182    HH   TYR  23           HH       TYR  23   0.028  -8.932  -8.932
  183    H    ARG  24           H        ARG  24   1.724  -2.525  -2.525
  184    HA   ARG  24           HA       ARG  24   1.789  -0.280  -0.280
  185   1HB   ARG  24          2HB       ARG  24   3.236  -2.617  -2.617
  186   2HB   ARG  24          1HB       ARG  24   4.412  -1.413  -1.413
  187   1HG   ARG  24          2HG       ARG  24   2.889  -1.444  -1.444
  188   2HG   ARG  24          1HG       ARG  24   4.433  -2.202  -2.202
  189   1HD   ARG  24          2HD       ARG  24   4.085   0.781   0.781
  190   2HD   ARG  24          1HD       ARG  24   4.483   0.084   0.084
  191    HE   ARG  24           HE       ARG  24   6.200  -0.610  -0.610
  192   1HH1  ARG  24          2HH1      ARG  24   6.265  -1.150  -1.150
  193   2HH1  ARG  24          1HH1      ARG  24   7.605  -0.175  -0.175
  194   1HH2  ARG  24          1HH2      ARG  24   7.503   1.583   1.583
  195   2HH2  ARG  24          2HH2      ARG  24   8.404   1.516   1.516
  196    H    LEU  25           H        LEU  25   2.405  -0.220  -0.220
  197    HA   LEU  25           HA       LEU  25   4.309   1.975   1.975
  198   1HB   LEU  25          2HB       LEU  25   4.152   0.577   0.577
  199   2HB   LEU  25          1HB       LEU  25   2.490   0.769   0.769
  200    HG   LEU  25           HG       LEU  25   2.866   3.198   3.198
  201   1HD1  LEU  25          2HD1      LEU  25   5.826   2.578   2.578
  202   2HD1  LEU  25          1HD1      LEU  25   5.160   4.037   4.037
  203   3HD1  LEU  25          3HD1      LEU  25   4.873   3.680   3.680
  204   1HD2  LEU  25          3HD2      LEU  25   2.976   1.415   1.415
  205   2HD2  LEU  25          2HD2      LEU  25   4.074   2.728   2.728
  206   3HD2  LEU  25          1HD2      LEU  25   4.695   1.236   1.236
  207    H    SER  26           H        SER  26   1.299   2.063   2.063
  208    HA   SER  26           HA       SER  26   0.529   4.493   4.493
  209   1HB   SER  26          2HB       SER  26   0.661   4.111   4.111
  210   2HB   SER  26          1HB       SER  26  -0.582   5.192   5.192
  211    HG   SER  26           HG       SER  26   2.003   5.707   5.707
  212    H    PHE  27           H        PHE  27  -0.274   1.505   1.505
  213    HA   PHE  27           HA       PHE  27  -3.200   2.069   2.069
  214   1HB   PHE  27          2HB       PHE  27  -2.014  -0.572  -0.572
  215   2HB   PHE  27          1HB       PHE  27  -3.639  -0.220  -0.220
  216    HD1  PHE  27          1HD       PHE  27  -0.854   1.039   1.039
  217    HD2  PHE  27          2HD       PHE  27  -3.825  -1.957  -1.957
  218    HE1  PHE  27          1HE       PHE  27  -0.543   0.241   0.241
  219    HE2  PHE  27          2HE       PHE  27  -3.500  -2.742  -2.742
  220    HZ   PHE  27           HZ       PHE  27  -1.850  -1.656  -1.656
  221    H    CYS  28           H        CYS  28  -1.016   0.809   0.809
  222    HA   CYS  28           HA       CYS  28  -3.182   1.396   1.396
  223   1HB   CYS  28          2HB       CYS  28  -0.734   0.075   0.075
  224   2HB   CYS  28          1HB       CYS  28  -2.407  -0.325  -0.325
  225    H    ARG  29           H        ARG  29  -2.050   3.335   3.335
  226    HA   ARG  29           HA       ARG  29   0.134   4.729   4.729
  227   1HB   ARG  29          2HB       ARG  29  -2.744   5.336   5.336
  228   2HB   ARG  29          1HB       ARG  29  -1.684   6.668   6.668
  229   1HG   ARG  29          2HG       ARG  29  -0.488   6.132   6.132
  230   2HG   ARG  29          1HG       ARG  29  -1.443   4.679   4.679
  231   1HD   ARG  29          2HD       ARG  29  -3.289   5.700   5.700
  232   2HD   ARG  29          1HD       ARG  29  -3.051   7.143   7.143
  233    HE   ARG  29           HE       ARG  29  -1.563   6.530   6.530
  234   1HH1  ARG  29          2HH1      ARG  29  -0.214   8.570   8.570
  235   2HH1  ARG  29          1HH1      ARG  29  -0.983  10.053  10.053
  236   1HH2  ARG  29          1HH2      ARG  29  -3.814   8.241   8.241
  237   2HH2  ARG  29          2HH2      ARG  29  -3.238   9.863   9.863
  238    H    LYS  30           H        LYS  30  -2.501   4.995   4.995
  239    HA   LYS  30           HA       LYS  30  -0.632   6.151   6.151
  240   1HB   LYS  30          2HB       LYS  30  -3.566   5.579   5.579
  241   2HB   LYS  30          1HB       LYS  30  -2.581   6.894   6.894
  242   1HG   LYS  30          2HG       LYS  30  -2.492   7.614   7.614
  243   2HG   LYS  30          1HG       LYS  30  -3.854   6.537   6.537
  244   1HD   LYS  30          2HD       LYS  30  -4.939   8.560   8.560
  245   2HD   LYS  30          1HD       LYS  30  -4.893   7.778   7.778
  246   1HE   LYS  30          2HE       LYS  30  -2.363   9.168   9.168
  247   2HE   LYS  30          1HE       LYS  30  -3.589  10.259  10.259
  248   1HZ   LYS  30          2HZ       LYS  30  -4.578   9.073   9.073
  249   2HZ   LYS  30          1HZ       LYS  30  -3.014   9.637   9.637
  250   3HZ   LYS  30          3HZ       LYS  30  -4.195  10.691  10.691
  251    H    THR  31           H        THR  31  -2.909   3.629   3.629
  252    HA   THR  31           HA       THR  31  -2.887   2.096   2.096
  253    HB   THR  31           HB       THR  31  -2.730   1.264   1.264
  254    HG1  THR  31          1HG       THR  31  -4.589   2.205   2.205
  255   1HG2  THR  31          1HG2      THR  31  -3.688  -0.299  -0.299
  256   2HG2  THR  31          3HG2      THR  31  -3.734  -0.787  -0.787
  257   3HG2  THR  31          2HG2      THR  31  -2.193  -0.724  -0.724
  258    H    CYS  32           H        CYS  32  -0.192   2.351   2.351
  259    HA   CYS  32           HA       CYS  32   1.375   0.608   0.608
  260   1HB   CYS  32          2HB       CYS  32   1.651   1.056   1.056
  261   2HB   CYS  32          1HB       CYS  32   2.966   0.455   0.455
  262    H    GLY  33           H        GLY  33   1.404   3.385   3.385
  263   1HA   GLY  33          2HA       GLY  33   1.984   5.588   5.588
  264   2HA   GLY  33          1HA       GLY  33   3.194   4.753   4.753
  265    H    THR  34           H        THR  34   2.378   4.718   4.718
  266    HA   THR  34           HA       THR  34   5.206   5.449   5.449
  267    HB   THR  34           HB       THR  34   4.087   4.216   4.216
  268    HG1  THR  34          1HG       THR  34   2.793   2.792   2.792
  269   1HG2  THR  34          1HG2      THR  34   6.361   3.722   3.722
  270   2HG2  THR  34          3HG2      THR  34   5.487   2.828   2.828
  271   3HG2  THR  34          2HG2      THR  34   5.448   2.279   2.279
  272    H    CYS  35           HN       CYS  35   2.206   7.008   7.008
  273    HA   CYS  35           HA       CYS  35   2.925   8.516   8.516
  274   1HB   CYS  35          2HB       CYS  35   0.661   9.055   9.055
  275   2HB   CYS  35          1HB       CYS  35   0.836   7.319   7.319

  Start of MODEL    3
    1   1H    ARG   1          3H        ARG   1  -1.012  17.331  17.331
    2   2H    ARG   1          2H        ARG   1   0.547  17.935  17.935
    3   3H    ARG   1          1H        ARG   1   0.020  17.674  17.674
    4    HA   ARG   1           HA       ARG   1   0.732  15.566  15.566
    5   1HB   ARG   1          2HB       ARG   1   2.529  16.465  16.465
    6   2HB   ARG   1          1HB       ARG   1   1.461  16.108  16.108
    7   1HG   ARG   1          2HG       ARG   1   1.565  13.699  13.699
    8   2HG   ARG   1          1HG       ARG   1   2.394  13.966  13.966
    9   1HD   ARG   1          2HD       ARG   1   4.395  14.814  14.814
   10   2HD   ARG   1          1HD       ARG   1   3.551  14.623  14.623
   11    HE   ARG   1           HE       ARG   1   3.893  12.210  12.210
   12   1HH1  ARG   1          1HH2      ARG   1   3.191  10.812  10.812
   13   2HH1  ARG   1          2HH2      ARG   1   4.299  10.679  10.679
   14   1HH2  ARG   1          1HH1      ARG   1   5.972  13.616  13.616
   15   2HH2  ARG   1          2HH1      ARG   1   6.056  12.429  12.429
   16    H    SER   2           H        SER   2  -1.591  15.198  15.198
   17    HA   SER   2           HA       SER   2  -2.779  13.803  13.803
   18   1HB   SER   2          2HB       SER   2  -4.298  15.099  15.099
   19   2HB   SER   2          1HB       SER   2  -4.947  14.620  14.620
   20    HG   SER   2           HG       SER   2  -4.298  16.507  16.507
   21    H    CYS   3           H        CYS   3  -3.783  11.856  11.856
   22    HA   CYS   3           HA       CYS   3  -4.135  10.754  10.754
   23   1HB   CYS   3          2HB       CYS   3  -2.109   9.063   9.063
   24   2HB   CYS   3          1HB       CYS   3  -1.844  10.586  10.586
   25    H    ILE   4           H        ILE   4  -5.103   8.714   8.714
   26    HA   ILE   4           HA       ILE   4  -5.326   7.676   7.676
   27    HB   ILE   4           HB       ILE   4  -7.780   7.188   7.188
   28   1HG1  ILE   4          2HG1      ILE   4  -8.693   8.912   8.912
   29   2HG1  ILE   4          1HG1      ILE   4  -7.061   9.105   9.105
   30   1HG2  ILE   4          3HG2      ILE   4  -6.946  10.102  10.102
   31   2HG2  ILE   4          2HG2      ILE   4  -8.562   9.476   9.476
   32   3HG2  ILE   4          1HG2      ILE   4  -7.230   8.986   8.986
   33   1HD1  ILE   4          1HD1      ILE   4  -8.619   6.467   6.467
   34   2HD1  ILE   4          3HD1      ILE   4  -8.311   7.459   7.459
   35   3HD1  ILE   4          2HD1      ILE   4  -6.995   6.632   6.632
   36    H    ASP   5           H        ASP   5  -6.021   5.458   5.458
   37    HA   ASP   5           HA       ASP   5  -4.521   3.881   3.881
   38   1HB   ASP   5          2HB       ASP   5  -6.488   2.953   2.953
   39   2HB   ASP   5          1HB       ASP   5  -5.108   2.073   2.073
   40    H    THR   6           H        THR   6  -5.540   2.044   2.044
   41    HA   THR   6           HA       THR   6  -8.436   2.352   2.352
   42    HB   THR   6           HB       THR   6  -6.939   3.778   3.778
   43    HG1  THR   6          1HG       THR   6  -8.575   3.337   3.337
   44   1HG2  THR   6          2HG2      THR   6  -5.083   2.060   2.060
   45   2HG2  THR   6          1HG2      THR   6  -6.194   1.002   1.002
   46   3HG2  THR   6          3HG2      THR   6  -5.731   2.539   2.539
   47    H    ILE   7           H        ILE   7  -6.450   0.596   0.596
   48    HA   ILE   7           HA       ILE   7  -7.235  -1.974  -1.974
   49    HB   ILE   7           HB       ILE   7  -4.846  -1.472  -1.472
   50   1HG1  ILE   7          2HG1      ILE   7  -3.677  -3.247  -3.247
   51   2HG1  ILE   7          1HG1      ILE   7  -5.177  -3.524  -3.524
   52   1HG2  ILE   7          3HG2      ILE   7  -4.559   0.079   0.079
   53   2HG2  ILE   7          2HG2      ILE   7  -4.589  -1.301  -1.301
   54   3HG2  ILE   7          1HG2      ILE   7  -3.273  -1.104  -1.104
   55   1HD1  ILE   7          2HD1      ILE   7  -6.248  -4.097  -4.097
   56   2HD1  ILE   7          1HD1      ILE   7  -4.696  -3.820  -3.820
   57   3HD1  ILE   7          3HD1      ILE   7  -4.907  -5.154  -5.154
   58    HA   PRO   8           HA       PRO   8  -8.352  -3.231  -3.231
   59   1HB   PRO   8          2HB       PRO   8  -7.746  -5.900  -5.900
   60   2HB   PRO   8          1HB       PRO   8  -9.302  -5.220  -5.220
   61   1HG   PRO   8          2HG       PRO   8  -6.758  -5.453  -5.453
   62   2HG   PRO   8          1HG       PRO   8  -8.348  -6.155  -6.155
   63   1HD   PRO   8          2HD       PRO   8  -7.952  -3.815  -3.815
   64   2HD   PRO   8          1HD       PRO   8  -9.370  -3.911  -3.911
   65    H    LYS   9           H        LYS   9  -6.944  -2.622  -2.622
   66    HA   LYS   9           HA       LYS   9  -4.131  -2.572  -2.572
   67   1HB   LYS   9          2HB       LYS   9  -5.572  -1.469  -1.469
   68   2HB   LYS   9          1HB       LYS   9  -5.822  -3.038  -3.038
   69   1HG   LYS   9          2HG       LYS   9  -2.966  -2.391  -2.391
   70   2HG   LYS   9          1HG       LYS   9  -3.764  -1.395  -1.395
   71   1HD   LYS   9          2HD       LYS   9  -4.290  -3.434  -3.434
   72   2HD   LYS   9          1HD       LYS   9  -3.637  -4.431  -4.431
   73   1HE   LYS   9          2HE       LYS   9  -1.893  -4.086  -4.086
   74   2HE   LYS   9          1HE       LYS   9  -1.386  -3.435  -3.435
   75   1HZ   LYS   9          2HZ       LYS   9  -2.818  -1.394  -1.394
   76   2HZ   LYS   9          1HZ       LYS   9  -1.649  -2.026  -2.026
   77   3HZ   LYS   9          3HZ       LYS   9  -1.199  -1.391  -1.391
   78    H    SER  10           H        SER  10  -6.431  -4.921  -4.921
   79    HA   SER  10           HA       SER  10  -5.180  -6.925  -6.925
   80   1HB   SER  10          2HB       SER  10  -6.911  -7.697  -7.697
   81   2HB   SER  10          1HB       SER  10  -7.104  -8.204  -8.204
   82    HG   SER  10           HG       SER  10  -8.600  -6.650  -6.650
   83    H    ARG  11           H        ARG  11  -4.887  -5.998  -5.998
   84    HA   ARG  11           HA       ARG  11  -3.187  -8.230  -8.230
   85   1HB   ARG  11          2HB       ARG  11  -4.799  -6.537  -6.537
   86   2HB   ARG  11          1HB       ARG  11  -3.311  -5.631  -5.631
   87   1HG   ARG  11          2HG       ARG  11  -3.218  -7.008  -7.008
   88   2HG   ARG  11          1HG       ARG  11  -2.134  -7.771  -7.771
   89   1HD   ARG  11          2HD       ARG  11  -4.056  -9.303  -9.303
   90   2HD   ARG  11          1HD       ARG  11  -4.990  -8.618  -8.618
   91    HE   ARG  11           HE       ARG  11  -2.755  -9.362  -9.362
   92   1HH1  ARG  11          2HH1      ARG  11  -1.940 -10.990 -10.990
   93   2HH1  ARG  11          1HH1      ARG  11  -2.632 -12.531 -12.531
   94   1HH2  ARG  11          1HH2      ARG  11  -4.890 -11.129 -11.129
   95   2HH2  ARG  11          2HH2      ARG  11  -4.456 -12.630 -12.630
   96    H    CYS  12           H        CYS  12  -3.040  -4.887  -4.887
   97    HA   CYS  12           HA       CYS  12  -0.127  -4.693  -4.693
   98   1HB   CYS  12          2HB       CYS  12  -2.079  -2.766  -2.766
   99   2HB   CYS  12          1HB       CYS  12  -0.564  -2.403  -2.403
  100    H    THR  13           H        THR  13  -0.778  -6.674  -6.674
  101    HA   THR  13           HA       THR  13  -0.615  -5.983  -5.983
  102    HB   THR  13           HB       THR  13  -1.988  -7.959  -7.959
  103    HG1  THR  13          1HG       THR  13  -0.093  -9.499  -9.499
  104   1HG2  THR  13          2HG2      THR  13   0.547  -9.090  -9.090
  105   2HG2  THR  13          1HG2      THR  13  -1.027  -9.879  -9.879
  106   3HG2  THR  13          3HG2      THR  13  -0.838  -8.499  -8.499
  107    H    ALA  14           H        ALA  14   1.226  -6.991  -6.991
  108    HA   ALA  14           HA       ALA  14   3.688  -5.871  -5.871
  109   1HB   ALA  14          1HB       ALA  14   3.303  -6.678  -6.678
  110   2HB   ALA  14          3HB       ALA  14   3.341  -8.344  -8.344
  111   3HB   ALA  14          2HB       ALA  14   4.779  -7.350  -7.350
  112    H    PHE  15           H        PHE  15   2.212  -8.752  -8.752
  113    HA   PHE  15           HA       PHE  15   4.413 -10.223 -10.223
  114   1HB   PHE  15          2HB       PHE  15   1.678 -10.825 -10.825
  115   2HB   PHE  15          1HB       PHE  15   2.883 -11.892 -11.892
  116    HD1  PHE  15          1HD       PHE  15   3.120 -10.355 -10.355
  117    HD2  PHE  15          2HD       PHE  15  -0.171 -11.776 -11.776
  118    HE1  PHE  15          1HE       PHE  15   1.780 -10.577 -10.577
  119    HE2  PHE  15          2HE       PHE  15  -1.499 -11.996 -11.996
  120    HZ   PHE  15           HZ       PHE  15  -0.531 -11.392 -11.392
  121    H    GLN  16           H        GLN  16   2.242  -7.875  -7.875
  122    HA   GLN  16           HA       GLN  16   3.719  -8.069  -8.069
  123   1HB   GLN  16          2HB       GLN  16   0.917  -7.143  -7.143
  124   2HB   GLN  16          1HB       GLN  16   1.877  -7.979  -7.979
  125   1HG   GLN  16          2HG       GLN  16   1.856  -9.882  -9.882
  126   2HG   GLN  16          1HG       GLN  16   0.313  -9.098  -9.098
  127   1HE2  GLN  16          2HE2      GLN  16   0.673 -10.506 -10.506
  128   2HE2  GLN  16          1HE2      GLN  16   1.849  -9.391  -9.391
  129    H    CYS  17           H        CYS  17   3.028  -6.287  -6.287
  130    HA   CYS  17           HA       CYS  17   2.589  -3.649  -3.649
  131   1HB   CYS  17          2HB       CYS  17   1.853  -4.101  -4.101
  132   2HB   CYS  17          1HB       CYS  17   3.492  -4.335  -4.335
  133    H    LYS  18           H        LYS  18   5.202  -5.432  -5.432
  134    HA   LYS  18           HA       LYS  18   7.136  -3.479  -3.479
  135   1HB   LYS  18          2HB       LYS  18   6.922  -3.960  -3.960
  136   2HB   LYS  18          1HB       LYS  18   7.754  -5.460  -5.460
  137   1HG   LYS  18          2HG       LYS  18   9.704  -4.319  -4.319
  138   2HG   LYS  18          1HG       LYS  18   8.884  -2.762  -2.762
  139   1HD   LYS  18          2HD       LYS  18   8.478  -3.028  -3.028
  140   2HD   LYS  18          1HD       LYS  18   9.475  -4.476  -4.476
  141   1HE   LYS  18          2HE       LYS  18  11.448  -3.211  -3.211
  142   2HE   LYS  18          1HE       LYS  18  10.502  -1.769  -1.769
  143   1HZ   LYS  18          1HZ       LYS  18   9.887  -2.609  -2.609
  144   2HZ   LYS  18          3HZ       LYS  18  11.581  -2.563  -2.563
  145   3HZ   LYS  18          2HZ       LYS  18  10.656  -1.181  -1.181
  146    H    HIS  19           H        HIS  19   5.683  -5.752  -5.752
  147    HA   HIS  19           HA       HIS  19   7.912  -7.229  -7.229
  148   1HB   HIS  19          2HB       HIS  19   5.797  -8.389  -8.389
  149   2HB   HIS  19          1HB       HIS  19   6.019  -9.253  -9.253
  150    HD1  HIS  19          1HD       HIS  19   8.521  -9.953  -9.953
  151    HD2  HIS  19          2HD       HIS  19   7.619  -8.925  -8.925
  152    HE1  HIS  19          1HE       HIS  19  10.283 -10.837 -10.837
  153    H    SER  20           H        SER  20   4.645  -5.978  -5.978
  154    HA   SER  20           HA       SER  20   4.695  -6.483  -6.483
  155   1HB   SER  20          2HB       SER  20   2.245  -6.465  -6.465
  156   2HB   SER  20          1HB       SER  20   2.290  -6.786  -6.786
  157    HG   SER  20           HG       SER  20   4.146  -8.270  -8.270
  158    H    MET  21           H        MET  21   5.789  -4.411  -4.411
  159    HA   MET  21           HA       MET  21   4.529  -1.967  -1.967
  160   1HB   MET  21          2HB       MET  21   6.630  -2.606  -2.606
  161   2HB   MET  21          1HB       MET  21   6.070  -0.970  -0.970
  162   1HG   MET  21          2HG       MET  21   7.407  -2.765  -2.765
  163   2HG   MET  21          1HG       MET  21   8.088  -1.340  -1.340
  164   1HE   MET  21          2HE       MET  21   5.902   0.694   0.694
  165   2HE   MET  21          1HE       MET  21   5.824   1.468   1.468
  166   3HE   MET  21          3HE       MET  21   7.395   1.263   1.263
  167   1HN   DNP  22           HN       DAP  22   3.793  -4.100  -4.100
  168    HA   DNP  22           HA       DAP  22   2.669  -2.121  -2.121
  169   1HB   DNP  22          1HB       DAP  22   1.136  -3.893  -3.893
  170   2HB   DNP  22          2HB       DAP  22   1.492  -4.909  -4.909
  171   1HG   DNP  22          1HG       DAP  22   2.880  -4.798  -4.798
  172   2HG   DNP  22          2HG       DAP  22   3.244  -5.729  -5.729
  173   3HG   DNP  22          3HG       DAP  22   3.941  -4.185  -4.185
  174    H    TYR  23           H        TYR  23   1.555  -3.588  -3.588
  175    HA   TYR  23           HA       TYR  23  -0.884  -1.915  -1.915
  176   1HB   TYR  23          2HB       TYR  23  -0.186  -3.439  -3.439
  177   2HB   TYR  23          1HB       TYR  23  -1.738  -3.009  -3.009
  178    HD1  TYR  23          1HD       TYR  23  -2.321  -4.196  -4.196
  179    HD2  TYR  23          2HD       TYR  23   0.366  -5.642  -5.642
  180    HE1  TYR  23          1HE       TYR  23  -2.642  -6.482  -6.482
  181    HE2  TYR  23          2HE       TYR  23   0.061  -7.927  -7.927
  182    HH   TYR  23           HH       TYR  23  -1.324  -8.671  -8.671
  183    H    ARG  24           H        ARG  24   1.622  -2.395  -2.395
  184    HA   ARG  24           HA       ARG  24   1.406  -0.057  -0.057
  185   1HB   ARG  24          2HB       ARG  24   2.747  -2.351  -2.351
  186   2HB   ARG  24          1HB       ARG  24   4.068  -1.422  -1.422
  187   1HG   ARG  24          2HG       ARG  24   2.486  -0.093  -0.093
  188   2HG   ARG  24          1HG       ARG  24   3.382  -1.502  -1.502
  189   1HD   ARG  24          2HD       ARG  24   4.993   0.345   0.345
  190   2HD   ARG  24          1HD       ARG  24   4.350   1.107   1.107
  191    HE   ARG  24           HE       ARG  24   5.981  -1.381  -1.381
  192   1HH1  ARG  24          1HH2      ARG  24   4.329  -0.628  -0.628
  193   2HH1  ARG  24          2HH2      ARG  24   5.390   0.212   0.212
  194   1HH2  ARG  24          2HH1      ARG  24   7.725   0.525   0.525
  195   2HH2  ARG  24          1HH1      ARG  24   7.539   0.924   0.924
  196    H    LEU  25           H        LEU  25   2.217   0.046   0.046
  197    HA   LEU  25           HA       LEU  25   4.153   2.318   2.318
  198   1HB   LEU  25          2HB       LEU  25   4.495   0.643   0.643
  199   2HB   LEU  25          1HB       LEU  25   3.016   0.986   0.986
  200    HG   LEU  25           HG       LEU  25   3.892   3.405   3.405
  201   1HD1  LEU  25          1HD1      LEU  25   6.529   2.171   2.171
  202   2HD1  LEU  25          3HD1      LEU  25   6.335   3.765   3.765
  203   3HD1  LEU  25          2HD1      LEU  25   5.631   3.411   3.411
  204   1HD2  LEU  25          3HD2      LEU  25   4.007   1.646   1.646
  205   2HD2  LEU  25          2HD2      LEU  25   5.392   2.720   2.720
  206   3HD2  LEU  25          1HD2      LEU  25   5.565   1.125   1.125
  207    H    SER  26           H        SER  26   1.429   1.930   1.930
  208    HA   SER  26           HA       SER  26   0.526   4.566   4.566
  209   1HB   SER  26          2HB       SER  26  -0.510   4.659   4.659
  210   2HB   SER  26          1HB       SER  26   1.267   4.702   4.702
  211    HG   SER  26           HG       SER  26   1.043   2.911   2.911
  212    H    PHE  27           H        PHE  27  -0.209   1.465   1.465
  213    HA   PHE  27           HA       PHE  27  -3.150   2.112   2.112
  214   1HB   PHE  27          2HB       PHE  27  -2.108  -0.612  -0.612
  215   2HB   PHE  27          1HB       PHE  27  -3.697  -0.131  -0.131
  216    HD1  PHE  27          2HD       PHE  27  -1.451   1.467   1.467
  217    HD2  PHE  27          1HD       PHE  27  -3.251  -2.273  -2.273
  218    HE1  PHE  27          2HE       PHE  27  -1.084   0.681   0.681
  219    HE2  PHE  27          1HE       PHE  27  -2.872  -3.052  -3.052
  220    HZ   PHE  27           HZ       PHE  27  -1.783  -1.583  -1.583
  221    H    CYS  28           H        CYS  28  -0.742   1.103   1.103
  222    HA   CYS  28           HA       CYS  28  -2.905   1.462   1.462
  223   1HB   CYS  28          2HB       CYS  28  -0.350   0.328   0.328
  224   2HB   CYS  28          1HB       CYS  28  -1.999  -0.215  -0.215
  225    H    ARG  29           H        ARG  29  -1.757   3.618   3.618
  226    HA   ARG  29           HA       ARG  29   0.363   5.008   5.008
  227   1HB   ARG  29          2HB       ARG  29  -2.490   5.655   5.655
  228   2HB   ARG  29          1HB       ARG  29  -1.565   6.916   6.916
  229   1HG   ARG  29          2HG       ARG  29  -0.873   7.498   7.498
  230   2HG   ARG  29          1HG       ARG  29   0.094   6.058   6.058
  231   1HD   ARG  29          2HD       ARG  29  -1.085   5.630   5.630
  232   2HD   ARG  29          1HD       ARG  29  -2.175   4.870   4.870
  233    HE   ARG  29           HE       ARG  29  -3.449   7.081   7.081
  234   1HH1  ARG  29          2HH1      ARG  29  -1.510   8.491   8.491
  235   2HH1  ARG  29          1HH1      ARG  29  -2.128   8.268   8.268
  236   1HH2  ARG  29          1HH2      ARG  29  -4.231   5.637   5.637
  237   2HH2  ARG  29          2HH2      ARG  29  -3.849   6.516   6.516
  238    H    LYS  30           H        LYS  30  -2.378   5.115   5.115
  239    HA   LYS  30           HA       LYS  30  -0.698   6.184   6.184
  240   1HB   LYS  30          2HB       LYS  30  -3.731   6.043   6.043
  241   2HB   LYS  30          1HB       LYS  30  -2.987   6.757   6.757
  242   1HG   LYS  30          2HG       LYS  30  -2.150   7.645   7.645
  243   2HG   LYS  30          1HG       LYS  30  -3.628   8.266   8.266
  244   1HD   LYS  30          2HD       LYS  30  -2.444   9.357   9.357
  245   2HD   LYS  30          1HD       LYS  30  -1.055   8.315   8.315
  246   1HE   LYS  30          2HE       LYS  30  -0.682  10.698  10.698
  247   2HE   LYS  30          1HE       LYS  30  -0.236   9.439   9.439
  248   1HZ   LYS  30          1HZ       LYS  30  -2.928  10.059  10.059
  249   2HZ   LYS  30          3HZ       LYS  30  -2.051  11.534  11.534
  250   3HZ   LYS  30          2HZ       LYS  30  -1.577  10.327  10.327
  251    H    THR  31           H        THR  31  -2.974   3.792   3.792
  252    HA   THR  31           HA       THR  31  -3.431   2.195   2.195
  253    HB   THR  31           HB       THR  31  -2.890   1.547   1.547
  254    HG1  THR  31          1HG       THR  31  -4.877   2.511   2.511
  255   1HG2  THR  31          1HG2      THR  31  -2.274  -0.510  -0.510
  256   2HG2  THR  31          3HG2      THR  31  -3.876  -0.323  -0.323
  257   3HG2  THR  31          2HG2      THR  31  -3.724  -0.634  -0.634
  258    H    CYS  32           H        CYS  32  -0.443   2.355   2.355
  259    HA   CYS  32           HA       CYS  32   0.886   0.619   0.619
  260   1HB   CYS  32          2HB       CYS  32   1.443   1.202   1.202
  261   2HB   CYS  32          1HB       CYS  32   2.787   0.827   0.827
  262    H    GLY  33           H        GLY  33   1.276   3.327   3.327
  263   1HA   GLY  33          2HA       GLY  33   1.554   5.607   5.607
  264   2HA   GLY  33          1HA       GLY  33   2.638   4.862   4.862
  265    H    THR  34           H        THR  34   2.292   4.720   4.720
  266    HA   THR  34           HA       THR  34   5.163   5.489   5.489
  267    HB   THR  34           HB       THR  34   4.442   4.153   4.153
  268    HG1  THR  34          1HG       THR  34   3.067   2.690   2.690
  269   1HG2  THR  34          2HG2      THR  34   6.539   3.847   3.847
  270   2HG2  THR  34          1HG2      THR  34   5.548   2.916   2.916
  271   3HG2  THR  34          3HG2      THR  34   5.836   2.333   2.333
  272    H    CYS  35           HN       CYS  35   2.271   6.967   6.967
  273    HA   CYS  35           HA       CYS  35   3.186   8.496   8.496
  274   1HB   CYS  35          2HB       CYS  35   1.145   8.411   8.411
  275   2HB   CYS  35          1HB       CYS  35   0.972   7.041   7.041

  Start of MODEL    4
    1   1H    ARG   1          3H        ARG   1   0.677  16.189  16.189
    2   2H    ARG   1          2H        ARG   1   2.119  16.251  16.251
    3   3H    ARG   1          1H        ARG   1   1.112  17.623  17.623
    4    HA   ARG   1           HA       ARG   1  -0.061  16.950  16.950
    5   1HB   ARG   1          2HB       ARG   1   1.741  14.455  14.455
    6   2HB   ARG   1          1HB       ARG   1   0.657  14.770  14.770
    7   1HG   ARG   1          2HG       ARG   1   1.849  16.839  16.839
    8   2HG   ARG   1          1HG       ARG   1   2.901  16.702  16.702
    9   1HD   ARG   1          2HD       ARG   1   3.869  14.590  14.590
   10   2HD   ARG   1          1HD       ARG   1   2.777  14.676  14.676
   11    HE   ARG   1           HE       ARG   1   3.928  16.747  16.747
   12   1HH1  ARG   1          1HH1      ARG   1   5.229  17.900  17.900
   13   2HH1  ARG   1          2HH1      ARG   1   6.846  17.314  17.314
   14   1HH2  ARG   1          1HH2      ARG   1   5.917  14.554  14.554
   15   2HH2  ARG   1          2HH2      ARG   1   7.268  15.251  15.251
   16    H    SER   2           H        SER   2  -1.793  15.251  15.251
   17    HA   SER   2           HA       SER   2  -2.733  13.868  13.868
   18   1HB   SER   2          2HB       SER   2  -4.520  15.007  15.007
   19   2HB   SER   2          1HB       SER   2  -4.979  14.534  14.534
   20    HG   SER   2           HG       SER   2  -4.291  16.902  16.902
   21    H    CYS   3           H        CYS   3  -2.767  11.653  11.653
   22    HA   CYS   3           HA       CYS   3  -3.496  10.593  10.593
   23   1HB   CYS   3          2HB       CYS   3  -1.623   9.098   9.098
   24   2HB   CYS   3          1HB       CYS   3  -0.968  10.705  10.705
   25    H    ILE   4           H        ILE   4  -4.653   8.731   8.731
   26    HA   ILE   4           HA       ILE   4  -5.108   7.785   7.785
   27    HB   ILE   4           HB       ILE   4  -7.539   7.419   7.419
   28   1HG1  ILE   4          2HG1      ILE   4  -8.250   9.137   9.137
   29   2HG1  ILE   4          1HG1      ILE   4  -6.585   9.139   9.139
   30   1HG2  ILE   4          3HG2      ILE   4  -6.968   9.238   9.238
   31   2HG2  ILE   4          2HG2      ILE   4  -6.560  10.286  10.286
   32   3HG2  ILE   4          1HG2      ILE   4  -8.223   9.756   9.756
   33   1HD1  ILE   4          3HD1      ILE   4  -8.371   6.669   6.669
   34   2HD1  ILE   4          2HD1      ILE   4  -7.941   7.554   7.554
   35   3HD1  ILE   4          1HD1      ILE   4  -6.718   6.663   6.663
   36    H    ASP   5           H        ASP   5  -5.952   5.718   5.718
   37    HA   ASP   5           HA       ASP   5  -4.628   3.814   3.814
   38   1HB   ASP   5          2HB       ASP   5  -6.684   3.269   3.269
   39   2HB   ASP   5          1HB       ASP   5  -5.450   2.161   2.161
   40    H    THR   6           H        THR   6  -5.826   2.031   2.031
   41    HA   THR   6           HA       THR   6  -8.677   2.394   2.394
   42    HB   THR   6           HB       THR   6  -7.361   3.870   3.870
   43    HG1  THR   6          1HG       THR   6  -8.853   3.261   3.261
   44   1HG2  THR   6          1HG2      THR   6  -5.293   2.421   2.421
   45   2HG2  THR   6          3HG2      THR   6  -6.225   1.203   1.203
   46   3HG2  THR   6          2HG2      THR   6  -5.940   2.780   2.780
   47    H    ILE   7           H        ILE   7  -6.907   0.752   0.752
   48    HA   ILE   7           HA       ILE   7  -7.379  -1.858  -1.858
   49    HB   ILE   7           HB       ILE   7  -4.972  -0.970  -0.970
   50   1HG1  ILE   7          2HG1      ILE   7  -3.837  -2.988  -2.988
   51   2HG1  ILE   7          1HG1      ILE   7  -5.313  -3.499  -3.499
   52   1HG2  ILE   7          3HG2      ILE   7  -5.019   0.118   0.118
   53   2HG2  ILE   7          2HG2      ILE   7  -5.041  -1.464  -1.464
   54   3HG2  ILE   7          1HG2      ILE   7  -3.663  -0.960  -0.960
   55   1HD1  ILE   7          1HD1      ILE   7  -6.412  -3.649  -3.649
   56   2HD1  ILE   7          3HD1      ILE   7  -4.893  -3.150  -3.150
   57   3HD1  ILE   7          2HD1      ILE   7  -5.008  -4.687  -4.687
   58    HA   PRO   8           HA       PRO   8  -8.603  -3.294  -3.294
   59   1HB   PRO   8          2HB       PRO   8  -7.984  -5.915  -5.915
   60   2HB   PRO   8          1HB       PRO   8  -9.554  -5.222  -5.222
   61   1HG   PRO   8          2HG       PRO   8  -7.035  -5.343  -5.343
   62   2HG   PRO   8          1HG       PRO   8  -8.632  -6.020  -6.020
   63   1HD   PRO   8          2HD       PRO   8  -8.228  -3.628  -3.628
   64   2HD   PRO   8          1HD       PRO   8  -9.664  -3.790  -3.790
   65    H    LYS   9           H        LYS   9  -7.127  -2.623  -2.623
   66    HA   LYS   9           HA       LYS   9  -4.345  -2.562  -2.562
   67   1HB   LYS   9          2HB       LYS   9  -5.714  -1.586  -1.586
   68   2HB   LYS   9          1HB       LYS   9  -5.891  -3.200  -3.200
   69   1HG   LYS   9          2HG       LYS   9  -3.081  -2.418  -2.418
   70   2HG   LYS   9          1HG       LYS   9  -3.841  -1.562  -1.562
   71   1HD   LYS   9          2HD       LYS   9  -4.183  -3.673  -3.673
   72   2HD   LYS   9          1HD       LYS   9  -3.623  -4.565  -4.565
   73   1HE   LYS   9          2HE       LYS   9  -1.747  -4.268  -4.268
   74   2HE   LYS   9          1HE       LYS   9  -1.362  -3.567  -3.567
   75   1HZ   LYS   9          2HZ       LYS   9  -2.690  -1.586  -1.586
   76   2HZ   LYS   9          1HZ       LYS   9  -1.433  -2.235  -2.235
   77   3HZ   LYS   9          3HZ       LYS   9  -1.121  -1.556  -1.556
   78    H    SER  10           H        SER  10  -6.544  -4.995  -4.995
   79    HA   SER  10           HA       SER  10  -5.189  -7.030  -7.030
   80   1HB   SER  10          2HB       SER  10  -7.005  -7.672  -7.672
   81   2HB   SER  10          1HB       SER  10  -7.117  -8.308  -8.308
   82    HG   SER  10           HG       SER  10  -8.638  -6.766  -6.766
   83    H    ARG  11           H        ARG  11  -5.096  -6.047  -6.047
   84    HA   ARG  11           HA       ARG  11  -3.285  -8.152  -8.152
   85   1HB   ARG  11          2HB       ARG  11  -5.048  -6.506  -6.506
   86   2HB   ARG  11          1HB       ARG  11  -3.582  -5.575  -5.575
   87   1HG   ARG  11          2HG       ARG  11  -3.608  -6.993  -6.993
   88   2HG   ARG  11          1HG       ARG  11  -2.387  -7.628  -7.628
   89   1HD   ARG  11          2HD       ARG  11  -4.155  -9.285  -9.285
   90   2HD   ARG  11          1HD       ARG  11  -5.189  -8.742  -8.742
   91    HE   ARG  11           HE       ARG  11  -2.469 -10.014 -10.014
   92   1HH1  ARG  11          1HH2      ARG  11  -2.855  -8.825  -8.825
   93   2HH1  ARG  11          2HH2      ARG  11  -3.862  -9.827  -9.827
   94   1HH2  ARG  11          2HH1      ARG  11  -4.929 -11.606 -11.606
   95   2HH2  ARG  11          1HH1      ARG  11  -5.105 -11.574 -11.574
   96    H    CYS  12           H        CYS  12  -3.118  -5.025  -5.025
   97    HA   CYS  12           HA       CYS  12  -0.244  -4.656  -4.656
   98   1HB   CYS  12          2HB       CYS  12  -2.206  -2.932  -2.932
   99   2HB   CYS  12          1HB       CYS  12  -0.755  -2.412  -2.412
  100    H    THR  13           H        THR  13  -1.072  -6.797  -6.797
  101    HA   THR  13           HA       THR  13  -0.752  -6.224  -6.224
  102    HB   THR  13           HB       THR  13  -1.902  -8.327  -8.327
  103    HG1  THR  13          1HG       THR  13  -0.049  -9.785  -9.785
  104   1HG2  THR  13          3HG2      THR  13   0.545  -9.048  -9.048
  105   2HG2  THR  13          2HG2      THR  13  -0.839 -10.097 -10.097
  106   3HG2  THR  13          1HG2      THR  13  -1.040  -8.654  -8.654
  107    H    ALA  14           H        ALA  14   1.150  -6.821  -6.821
  108    HA   ALA  14           HA       ALA  14   3.492  -5.622  -5.622
  109   1HB   ALA  14          1HB       ALA  14   3.340  -8.051  -8.051
  110   2HB   ALA  14          3HB       ALA  14   4.715  -6.972  -6.972
  111   3HB   ALA  14          2HB       ALA  14   3.203  -6.379  -6.379
  112    H    PHE  15           H        PHE  15   2.353  -8.709  -8.709
  113    HA   PHE  15           HA       PHE  15   4.589 -10.101 -10.101
  114   1HB   PHE  15          2HB       PHE  15   1.861 -10.568 -10.568
  115   2HB   PHE  15          1HB       PHE  15   3.073 -11.712 -11.712
  116    HD1  PHE  15          2HD       PHE  15   3.194 -10.228 -10.228
  117    HD2  PHE  15          1HD       PHE  15   0.224 -12.060 -12.060
  118    HE1  PHE  15          2HE       PHE  15   1.869 -10.763 -10.763
  119    HE2  PHE  15          1HE       PHE  15  -1.086 -12.595 -12.595
  120    HZ   PHE  15           HZ       PHE  15  -0.273 -11.947 -11.947
  121    H    GLN  16           H        GLN  16   2.227  -8.072  -8.072
  122    HA   GLN  16           HA       GLN  16   3.666  -8.147  -8.147
  123   1HB   GLN  16          2HB       GLN  16   1.056  -6.724  -6.724
  124   2HB   GLN  16          1HB       GLN  16   1.653  -7.335  -7.335
  125   1HG   GLN  16          2HG       GLN  16   1.447  -9.594  -9.594
  126   2HG   GLN  16          1HG       GLN  16  -0.062  -8.787  -8.787
  127   1HE2  GLN  16          2HE2      GLN  16   1.603 -10.718 -10.718
  128   2HE2  GLN  16          1HE2      GLN  16   2.637 -10.137 -10.137
  129    H    CYS  17           H        CYS  17   2.347  -5.832  -5.832
  130    HA   CYS  17           HA       CYS  17   3.182  -3.424  -3.424
  131   1HB   CYS  17          2HB       CYS  17   2.040  -4.042  -4.042
  132   2HB   CYS  17          1HB       CYS  17   3.646  -4.113  -4.113
  133    H    LYS  18           H        LYS  18   5.075  -5.987  -5.987
  134    HA   LYS  18           HA       LYS  18   7.543  -4.324  -4.324
  135   1HB   LYS  18          2HB       LYS  18   7.105  -5.851  -5.851
  136   2HB   LYS  18          1HB       LYS  18   7.230  -7.235  -7.235
  137   1HG   LYS  18          2HG       LYS  18   9.576  -6.485  -6.485
  138   2HG   LYS  18          1HG       LYS  18   9.465  -5.196  -5.196
  139   1HD   LYS  18          2HD       LYS  18   9.375  -8.192  -8.192
  140   2HD   LYS  18          1HD       LYS  18  10.702  -7.109  -7.109
  141   1HE   LYS  18          2HE       LYS  18   9.065  -5.843  -5.843
  142   2HE   LYS  18          1HE       LYS  18   7.922  -7.145  -7.145
  143   1HZ   LYS  18          2HZ       LYS  18  10.392  -8.291  -8.291
  144   2HZ   LYS  18          1HZ       LYS  18  10.025  -7.091  -7.091
  145   3HZ   LYS  18          3HZ       LYS  18   8.916  -8.337  -8.337
  146    H    HIS  19           H        HIS  19   5.934  -6.843  -6.843
  147    HA   HIS  19           HA       HIS  19   8.294  -7.029  -7.029
  148   1HB   HIS  19          2HB       HIS  19   6.209  -9.141  -9.141
  149   2HB   HIS  19          1HB       HIS  19   7.375  -9.296  -9.296
  150    HD1  HIS  19          1HD       HIS  19   9.856  -9.579  -9.579
  151    HD2  HIS  19          2HD       HIS  19   7.221  -9.416  -9.416
  152    HE1  HIS  19          1HE       HIS  19  11.029 -10.332 -10.332
  153    H    SER  20           H        SER  20   4.754  -6.952  -6.952
  154    HA   SER  20           HA       SER  20   4.794  -6.676  -6.676
  155   1HB   SER  20          2HB       SER  20   2.274  -6.505  -6.505
  156   2HB   SER  20          1HB       SER  20   2.562  -7.254  -7.254
  157    HG   SER  20           HG       SER  20   4.195  -8.474  -8.474
  158    H    MET  21           H        MET  21   5.886  -4.581  -4.581
  159    HA   MET  21           HA       MET  21   4.647  -2.219  -2.219
  160   1HB   MET  21          2HB       MET  21   6.522  -2.660  -2.660
  161   2HB   MET  21          1HB       MET  21   5.903  -1.063  -1.063
  162   1HG   MET  21          2HG       MET  21   7.484  -2.865  -2.865
  163   2HG   MET  21          1HG       MET  21   8.055  -1.393  -1.393
  164   1HE   MET  21          2HE       MET  21   6.299   0.766   0.766
  165   2HE   MET  21          1HE       MET  21   6.224   1.391   1.391
  166   3HE   MET  21          3HE       MET  21   7.793   1.024   1.024
  167   1HN   DNP  22           HN       DAP  22   3.767  -4.259  -4.259
  168    HA   DNP  22           HA       DAP  22   2.311  -2.381  -2.381
  169   1HB   DNP  22          1HB       DAP  22   2.506  -4.741  -4.741
  170   2HB   DNP  22          2HB       DAP  22   0.809  -4.299  -4.299
  171   1HG   DNP  22          1HG       DAP  22   0.549  -5.944  -5.944
  172   2HG   DNP  22          2HG       DAP  22   1.635  -5.196  -5.196
  173   3HG   DNP  22          3HG       DAP  22   2.192  -6.341  -6.341
  174    H    TYR  23           H        TYR  23   1.753  -3.041  -3.041
  175    HA   TYR  23           HA       TYR  23  -1.003  -1.977  -1.977
  176   1HB   TYR  23          2HB       TYR  23  -0.074  -3.603  -3.603
  177   2HB   TYR  23          1HB       TYR  23  -1.714  -3.240  -3.240
  178    HD1  TYR  23          2HD       TYR  23  -1.831  -4.037  -4.037
  179    HD2  TYR  23          1HD       TYR  23   0.133  -5.935  -5.935
  180    HE1  TYR  23          2HE       TYR  23  -2.006  -6.200  -6.200
  181    HE2  TYR  23          1HE       TYR  23  -0.025  -8.069  -8.069
  182    HH   TYR  23           HH       TYR  23  -0.451  -9.082  -9.082
  183    H    ARG  24           H        ARG  24   1.455  -2.305  -2.305
  184    HA   ARG  24           HA       ARG  24   1.163  -0.100  -0.100
  185   1HB   ARG  24          2HB       ARG  24   2.549  -1.873  -1.873
  186   2HB   ARG  24          1HB       ARG  24   3.618  -1.506  -1.506
  187   1HG   ARG  24          2HG       ARG  24   4.382   0.370   0.370
  188   2HG   ARG  24          1HG       ARG  24   2.943   0.683   0.683
  189   1HD   ARG  24          2HD       ARG  24   3.963  -0.174  -0.174
  190   2HD   ARG  24          1HD       ARG  24   3.966  -1.707  -1.707
  191    HE   ARG  24           HE       ARG  24   6.219  -0.970  -0.970
  192   1HH1  ARG  24          1HH2      ARG  24   6.457   1.586   1.586
  193   2HH1  ARG  24          2HH2      ARG  24   7.132   1.479   1.479
  194   1HH2  ARG  24          2HH1      ARG  24   6.250  -2.010  -2.010
  195   2HH2  ARG  24          1HH1      ARG  24   7.009  -0.866  -0.866
  196    H    LEU  25           H        LEU  25   2.675  -0.170  -0.170
  197    HA   LEU  25           HA       LEU  25   4.053   2.301   2.301
  198   1HB   LEU  25          2HB       LEU  25   4.340   0.560   0.560
  199   2HB   LEU  25          1HB       LEU  25   2.830   0.810   0.810
  200    HG   LEU  25           HG       LEU  25   3.435   3.116   3.116
  201   1HD1  LEU  25          2HD1      LEU  25   6.180   2.580   2.580
  202   2HD1  LEU  25          1HD1      LEU  25   5.764   3.977   3.977
  203   3HD1  LEU  25          3HD1      LEU  25   5.018   3.758   3.758
  204   1HD2  LEU  25          3HD2      LEU  25   3.975   1.230   1.230
  205   2HD2  LEU  25          2HD2      LEU  25   5.150   2.520   2.520
  206   3HD2  LEU  25          1HD2      LEU  25   5.564   1.078   1.078
  207    H    SER  26           H        SER  26   1.254   1.729   1.729
  208    HA   SER  26           HA       SER  26   0.360   4.517   4.517
  209   1HB   SER  26          2HB       SER  26  -0.545   4.302   4.302
  210   2HB   SER  26          1HB       SER  26   1.209   4.508   4.508
  211    HG   SER  26           HG       SER  26  -0.249   2.254   2.254
  212    H    PHE  27           H        PHE  27  -0.386   1.446   1.446
  213    HA   PHE  27           HA       PHE  27  -3.332   2.043   2.043
  214   1HB   PHE  27          2HB       PHE  27  -2.281  -0.664  -0.664
  215   2HB   PHE  27          1HB       PHE  27  -3.819  -0.220  -0.220
  216    HD1  PHE  27          1HD       PHE  27  -0.224   0.345   0.345
  217    HD2  PHE  27          2HD       PHE  27  -4.168  -0.932  -0.932
  218    HE1  PHE  27          1HE       PHE  27   0.521  -0.061  -0.061
  219    HE2  PHE  27          2HE       PHE  27  -3.380  -1.372  -1.372
  220    HZ   PHE  27           HZ       PHE  27  -1.021  -0.953  -0.953
  221    H    CYS  28           H        CYS  28  -0.985   1.141   1.141
  222    HA   CYS  28           HA       CYS  28  -3.082   1.514   1.514
  223   1HB   CYS  28          2HB       CYS  28  -0.542   0.259   0.259
  224   2HB   CYS  28          1HB       CYS  28  -2.194  -0.237  -0.237
  225    H    ARG  29           H        ARG  29  -1.883   3.508   3.508
  226    HA   ARG  29           HA       ARG  29   0.345   4.841   4.841
  227   1HB   ARG  29          2HB       ARG  29  -2.525   5.560   5.560
  228   2HB   ARG  29          1HB       ARG  29  -1.399   6.861   6.861
  229   1HG   ARG  29          2HG       ARG  29  -0.137   5.588   5.588
  230   2HG   ARG  29          1HG       ARG  29  -1.518   4.525   4.525
  231   1HD   ARG  29          2HD       ARG  29  -2.443   5.885   5.885
  232   2HD   ARG  29          1HD       ARG  29  -2.658   7.070   7.070
  233    HE   ARG  29           HE       ARG  29  -0.302   7.870   7.870
  234   1HH1  ARG  29          2HH1      ARG  29  -2.743   7.561   7.561
  235   2HH1  ARG  29          1HH1      ARG  29  -1.853   7.652   7.652
  236   1HH2  ARG  29          1HH2      ARG  29   1.236   7.368   7.368
  237   2HH2  ARG  29          2HH2      ARG  29   0.574   7.572   7.572
  238    H    LYS  30           H        LYS  30  -2.447   5.110   5.110
  239    HA   LYS  30           HA       LYS  30  -0.707   6.148   6.148
  240   1HB   LYS  30          2HB       LYS  30  -3.741   6.137   6.137
  241   2HB   LYS  30          1HB       LYS  30  -2.897   6.917   6.917
  242   1HG   LYS  30          2HG       LYS  30  -2.467   7.535   7.535
  243   2HG   LYS  30          1HG       LYS  30  -3.407   8.539   8.539
  244   1HD   LYS  30          2HD       LYS  30  -1.165   8.500   8.500
  245   2HD   LYS  30          1HD       LYS  30  -0.416   7.965   7.965
  246   1HE   LYS  30          2HE       LYS  30  -1.176   9.974   9.974
  247   2HE   LYS  30          1HE       LYS  30  -1.895  10.572  10.572
  248   1HZ   LYS  30          1HZ       LYS  30   0.814   9.697   9.697
  249   2HZ   LYS  30          3HZ       LYS  30   0.786  10.714  10.714
  250   3HZ   LYS  30          2HZ       LYS  30   0.196  11.281  11.281
  251    H    THR  31           H        THR  31  -2.973   3.761   3.761
  252    HA   THR  31           HA       THR  31  -3.389   2.363   2.363
  253    HB   THR  31           HB       THR  31  -3.098   1.451   1.451
  254    HG1  THR  31          1HG       THR  31  -4.892   2.699   2.699
  255   1HG2  THR  31          2HG2      THR  31  -4.131  -0.122  -0.122
  256   2HG2  THR  31          1HG2      THR  31  -4.121  -0.584  -0.584
  257   3HG2  THR  31          3HG2      THR  31  -2.599  -0.506  -0.506
  258    H    CYS  32           H        CYS  32  -0.466   2.521   2.521
  259    HA   CYS  32           HA       CYS  32   0.845   0.637   0.637
  260   1HB   CYS  32          2HB       CYS  32   1.281   1.269   1.269
  261   2HB   CYS  32          1HB       CYS  32   2.684   0.980   0.980
  262    H    GLY  33           H        GLY  33   1.292   3.528   3.528
  263   1HA   GLY  33          2HA       GLY  33   1.804   5.666   5.666
  264   2HA   GLY  33          1HA       GLY  33   2.872   4.736   4.736
  265    H    THR  34           H        THR  34   2.306   4.995   4.995
  266    HA   THR  34           HA       THR  34   5.229   5.084   5.084
  267    HB   THR  34           HB       THR  34   4.087   4.895   4.895
  268    HG1  THR  34          1HG       THR  34   2.219   3.505   3.505
  269   1HG2  THR  34          3HG2      THR  34   5.566   3.159   3.159
  270   2HG2  THR  34          2HG2      THR  34   4.123   2.576   2.576
  271   3HG2  THR  34          1HG2      THR  34   4.268   2.454   2.454
  272    H    CYS  35           HN       CYS  35   2.289   6.941   6.941
  273    HA   CYS  35           HA       CYS  35   4.080   9.210   9.210
  274   1HB   CYS  35          2HB       CYS  35   2.196   9.832   9.832
  275   2HB   CYS  35          1HB       CYS  35   3.001   8.394   8.394

  Start of MODEL    5
    1   1H    ARG   1          2H        ARG   1   0.112  17.159  17.159
    2   2H    ARG   1          1H        ARG   1   1.477  17.316  17.316
    3   3H    ARG   1          3H        ARG   1   0.324  18.571  18.571
    4    HA   ARG   1           HA       ARG   1  -0.900  17.628  17.628
    5   1HB   ARG   1          2HB       ARG   1   1.266  15.425  15.425
    6   2HB   ARG   1          1HB       ARG   1   0.072  15.570  15.570
    7   1HG   ARG   1          2HG       ARG   1   0.883  17.968  17.968
    8   2HG   ARG   1          1HG       ARG   1   2.210  17.667  17.667
    9   1HD   ARG   1          2HD       ARG   1   1.664  16.166  16.166
   10   2HD   ARG   1          1HD       ARG   1   2.874  17.411  17.411
   11    HE   ARG   1           HE       ARG   1   3.885  15.768  15.768
   12   1HH1  ARG   1          1HH1      ARG   1   2.618  13.382  13.382
   13   2HH1  ARG   1          2HH1      ARG   1   3.090  12.481  12.481
   14   1HH2  ARG   1          1HH2      ARG   1   4.260  15.410  15.410
   15   2HH2  ARG   1          2HH2      ARG   1   4.080  13.703  13.703
   16    H    SER   2           H        SER   2  -2.117  15.318  15.318
   17    HA   SER   2           HA       SER   2  -2.932  14.222  14.222
   18   1HB   SER   2          2HB       SER   2  -5.231  14.069  14.069
   19   2HB   SER   2          1HB       SER   2  -4.696  15.685  15.685
   20    HG   SER   2           HG       SER   2  -5.106  14.977  14.977
   21    H    CYS   3           H        CYS   3  -3.769  12.121  12.121
   22    HA   CYS   3           HA       CYS   3  -3.635  10.346  10.346
   23   1HB   CYS   3          2HB       CYS   3  -1.744   8.988   8.988
   24   2HB   CYS   3          1HB       CYS   3  -1.211  10.607  10.607
   25    H    ILE   4           H        ILE   4  -4.955   8.599   8.599
   26    HA   ILE   4           HA       ILE   4  -5.574   8.016   8.016
   27    HB   ILE   4           HB       ILE   4  -8.007   7.807   7.807
   28   1HG1  ILE   4          2HG1      ILE   4  -8.497   9.345   9.345
   29   2HG1  ILE   4          1HG1      ILE   4  -6.835   9.087   9.087
   30   1HG2  ILE   4          2HG2      ILE   4  -7.294   9.800   9.800
   31   2HG2  ILE   4          1HG2      ILE   4  -6.778  10.588  10.588
   32   3HG2  ILE   4          3HG2      ILE   4  -8.481  10.248  10.248
   33   1HD1  ILE   4          2HD1      ILE   4  -8.898   6.880   6.880
   34   2HD1  ILE   4          1HD1      ILE   4  -8.335   7.494   7.494
   35   3HD1  ILE   4          3HD1      ILE   4  -7.252   6.606   6.606
   36    H    ASP   5           H        ASP   5  -6.284   5.680   5.680
   37    HA   ASP   5           HA       ASP   5  -4.819   4.103   4.103
   38   1HB   ASP   5          2HB       ASP   5  -6.790   3.043   3.043
   39   2HB   ASP   5          1HB       ASP   5  -5.407   2.217   2.217
   40    H    THR   6           H        THR   6  -5.847   2.308   2.308
   41    HA   THR   6           HA       THR   6  -8.736   2.493   2.493
   42    HB   THR   6           HB       THR   6  -7.333   4.135   4.135
   43    HG1  THR   6          1HG       THR   6  -9.080   3.802   3.802
   44   1HG2  THR   6          2HG2      THR   6  -5.486   2.443   2.443
   45   2HG2  THR   6          1HG2      THR   6  -6.698   1.487   1.487
   46   3HG2  THR   6          3HG2      THR   6  -6.292   3.095   3.095
   47    H    ILE   7           H        ILE   7  -6.800   0.854   0.854
   48    HA   ILE   7           HA       ILE   7  -7.084  -1.705  -1.705
   49    HB   ILE   7           HB       ILE   7  -4.684  -0.692  -0.692
   50   1HG1  ILE   7          2HG1      ILE   7  -3.688  -2.875  -2.875
   51   2HG1  ILE   7          1HG1      ILE   7  -5.322  -3.476  -3.476
   52   1HG2  ILE   7          2HG2      ILE   7  -5.004   0.079   0.079
   53   2HG2  ILE   7          1HG2      ILE   7  -5.234  -1.585  -1.585
   54   3HG2  ILE   7          3HG2      ILE   7  -3.705  -1.082  -1.082
   55   1HD1  ILE   7          2HD1      ILE   7  -5.626  -2.995  -2.995
   56   2HD1  ILE   7          1HD1      ILE   7  -3.954  -2.453  -2.453
   57   3HD1  ILE   7          3HD1      ILE   7  -4.325  -4.139  -4.139
   58    HA   PRO   8           HA       PRO   8  -8.503  -3.061  -3.061
   59   1HB   PRO   8          2HB       PRO   8  -8.256  -5.720  -5.720
   60   2HB   PRO   8          1HB       PRO   8  -9.580  -4.907  -4.907
   61   1HG   PRO   8          2HG       PRO   8  -6.776  -5.517  -5.517
   62   2HG   PRO   8          1HG       PRO   8  -8.320  -6.068  -6.068
   63   1HD   PRO   8          2HD       PRO   8  -7.244  -3.828  -3.828
   64   2HD   PRO   8          1HD       PRO   8  -8.984  -3.828  -3.828
   65    H    LYS   9           H        LYS   9  -7.118  -2.749  -2.749
   66    HA   LYS   9           HA       LYS   9  -4.338  -2.664  -2.664
   67   1HB   LYS   9          2HB       LYS   9  -5.807  -1.764  -1.764
   68   2HB   LYS   9          1HB       LYS   9  -5.945  -3.409  -3.409
   69   1HG   LYS   9          2HG       LYS   9  -3.211  -2.405  -2.405
   70   2HG   LYS   9          1HG       LYS   9  -4.036  -1.733  -1.733
   71   1HD   LYS   9          2HD       LYS   9  -3.995  -3.863  -3.863
   72   2HD   LYS   9          1HD       LYS   9  -3.568  -4.661  -4.661
   73   1HE   LYS   9          2HE       LYS   9  -1.478  -4.250  -4.250
   74   2HE   LYS   9          1HE       LYS   9  -1.374  -3.503  -3.503
   75   1HZ   LYS   9          2HZ       LYS   9  -2.597  -1.676  -1.676
   76   2HZ   LYS   9          1HZ       LYS   9  -1.147  -2.218  -2.218
   77   3HZ   LYS   9          3HZ       LYS   9  -1.181  -1.449  -1.449
   78    H    SER  10           H        SER  10  -6.579  -5.080  -5.080
   79    HA   SER  10           HA       SER  10  -5.239  -7.143  -7.143
   80   1HB   SER  10          2HB       SER  10  -7.054  -7.809  -7.809
   81   2HB   SER  10          1HB       SER  10  -7.234  -8.351  -8.351
   82    HG   SER  10           HG       SER  10  -8.727  -6.785  -6.785
   83    H    ARG  11           H        ARG  11  -5.139  -5.997  -5.997
   84    HA   ARG  11           HA       ARG  11  -3.454  -8.133  -8.133
   85   1HB   ARG  11          2HB       ARG  11  -5.227  -6.673  -6.673
   86   2HB   ARG  11          1HB       ARG  11  -3.998  -5.418  -5.418
   87   1HG   ARG  11          2HG       ARG  11  -3.886  -6.552  -6.552
   88   2HG   ARG  11          1HG       ARG  11  -2.484  -6.997  -6.997
   89   1HD   ARG  11          2HD       ARG  11  -3.552  -9.094  -9.094
   90   2HD   ARG  11          1HD       ARG  11  -5.010  -8.677  -8.677
   91    HE   ARG  11           HE       ARG  11  -2.311  -8.943  -8.943
   92   1HH1  ARG  11          1HH2      ARG  11  -4.741  -8.223  -8.223
   93   2HH1  ARG  11          2HH2      ARG  11  -5.215  -9.700  -9.700
   94   1HH2  ARG  11          2HH1      ARG  11  -3.238 -11.518 -11.518
   95   2HH2  ARG  11          1HH1      ARG  11  -4.303 -11.759 -11.759
   96    H    CYS  12           H        CYS  12  -3.154  -4.985  -4.985
   97    HA   CYS  12           HA       CYS  12  -0.198  -5.006  -5.006
   98   1HB   CYS  12          2HB       CYS  12  -2.148  -2.859  -2.859
   99   2HB   CYS  12          1HB       CYS  12  -0.909  -2.673  -2.673
  100    H    THR  13           H        THR  13  -1.269  -6.920  -6.920
  101    HA   THR  13           HA       THR  13  -1.237  -6.464  -6.464
  102    HB   THR  13           HB       THR  13  -2.218  -8.573  -8.573
  103    HG1  THR  13          1HG       THR  13  -0.184  -9.944  -9.944
  104   1HG2  THR  13          2HG2      THR  13   0.491  -9.225  -9.225
  105   2HG2  THR  13          1HG2      THR  13  -0.927 -10.275 -10.275
  106   3HG2  THR  13          3HG2      THR  13  -0.977  -8.790  -8.790
  107    H    ALA  14           H        ALA  14   0.521  -7.233  -7.233
  108    HA   ALA  14           HA       ALA  14   2.889  -5.779  -5.779
  109   1HB   ALA  14          1HB       ALA  14   2.559  -8.397  -8.397
  110   2HB   ALA  14          3HB       ALA  14   3.869  -7.247  -7.247
  111   3HB   ALA  14          2HB       ALA  14   2.232  -6.790  -6.790
  112    H    PHE  15           H        PHE  15   2.018  -8.719  -8.719
  113    HA   PHE  15           HA       PHE  15   4.641  -9.709  -9.709
  114   1HB   PHE  15          2HB       PHE  15   2.242 -10.636 -10.636
  115   2HB   PHE  15          1HB       PHE  15   3.511 -11.564 -11.564
  116    HD1  PHE  15          2HD       PHE  15   2.994 -10.228 -10.228
  117    HD2  PHE  15          1HD       PHE  15   0.523 -12.108 -12.108
  118    HE1  PHE  15          2HE       PHE  15   1.412 -10.884 -10.884
  119    HE2  PHE  15          1HE       PHE  15  -1.047 -12.764 -12.764
  120    HZ   PHE  15           HZ       PHE  15  -0.611 -12.148 -12.148
  121    H    GLN  16           H        GLN  16   2.134  -7.858  -7.858
  122    HA   GLN  16           HA       GLN  16   3.757  -7.726  -7.726
  123   1HB   GLN  16          2HB       GLN  16   0.911  -6.733  -6.733
  124   2HB   GLN  16          1HB       GLN  16   1.528  -7.062  -7.062
  125   1HG   GLN  16          2HG       GLN  16   1.978  -9.458  -9.458
  126   2HG   GLN  16          1HG       GLN  16   0.351  -8.880  -8.880
  127   1HE2  GLN  16          2HE2      GLN  16   1.563 -10.495 -10.495
  128   2HE2  GLN  16          1HE2      GLN  16   2.730 -10.063 -10.063
  129    H    CYS  17           H        CYS  17   2.685  -5.961  -5.961
  130    HA   CYS  17           HA       CYS  17   3.043  -3.239  -3.239
  131   1HB   CYS  17          2HB       CYS  17   2.246  -4.477  -4.477
  132   2HB   CYS  17          1HB       CYS  17   3.853  -4.079  -4.079
  133    H    LYS  18           H        LYS  18   5.240  -5.649  -5.649
  134    HA   LYS  18           HA       LYS  18   7.478  -3.694  -3.694
  135   1HB   LYS  18          2HB       LYS  18   7.190  -5.514  -5.514
  136   2HB   LYS  18          1HB       LYS  18   8.077  -6.506  -6.506
  137   1HG   LYS  18          2HG       LYS  18   9.748  -5.440  -5.440
  138   2HG   LYS  18          1HG       LYS  18   9.801  -4.626  -4.626
  139   1HD   LYS  18          2HD       LYS  18   8.271  -2.816  -2.816
  140   2HD   LYS  18          1HD       LYS  18   8.326  -3.645  -3.645
  141   1HE   LYS  18          2HE       LYS  18  10.851  -3.344  -3.344
  142   2HE   LYS  18          1HE       LYS  18  10.697  -2.394  -2.394
  143   1HZ   LYS  18          1HZ       LYS  18   8.876  -1.385  -1.385
  144   2HZ   LYS  18          3HZ       LYS  18  10.385  -1.544  -1.544
  145   3HZ   LYS  18          2HZ       LYS  18  10.242  -0.595  -0.595
  146    H    HIS  19           H        HIS  19   6.296  -6.868  -6.868
  147    HA   HIS  19           HA       HIS  19   8.326  -6.755  -6.755
  148   1HB   HIS  19          2HB       HIS  19   6.719  -9.150  -9.150
  149   2HB   HIS  19          1HB       HIS  19   8.075  -9.155  -9.155
  150    HD1  HIS  19          1HD       HIS  19  10.381  -8.288  -8.288
  151    HD2  HIS  19          2HD       HIS  19   7.437  -9.333  -9.333
  152    HE1  HIS  19          1HE       HIS  19  11.436  -8.629  -8.629
  153    H    SER  20           H        SER  20   5.364  -5.618  -5.618
  154    HA   SER  20           HA       SER  20   4.730  -6.688  -6.688
  155   1HB   SER  20          2HB       SER  20   2.830  -5.948  -5.948
  156   2HB   SER  20          1HB       SER  20   2.358  -6.468  -6.468
  157    HG   SER  20           HG       SER  20   2.621  -8.446  -8.446
  158    H    MET  21           H        MET  21   6.012  -4.675  -4.675
  159    HA   MET  21           HA       MET  21   4.994  -2.088  -2.088
  160   1HB   MET  21          2HB       MET  21   6.479  -3.146  -3.146
  161   2HB   MET  21          1HB       MET  21   6.003  -1.466  -1.466
  162   1HG   MET  21          2HG       MET  21   7.241  -2.171  -2.171
  163   2HG   MET  21          1HG       MET  21   8.261  -2.744  -2.744
  164   1HE   MET  21          2HE       MET  21   5.821   0.014   0.014
  165   2HE   MET  21          1HE       MET  21   6.852   0.761   0.761
  166   3HE   MET  21          3HE       MET  21   6.648   1.489   1.489
  167   1HN   DNP  22           HN       DAP  22   3.614  -4.489  -4.489
  168    HA   DNP  22           HA       DAP  22   2.129  -2.589  -2.589
  169   1HB   DNP  22          1HB       DAP  22   1.999  -5.017  -5.017
  170   2HB   DNP  22          2HB       DAP  22   0.384  -4.454  -4.454
  171   1HG   DNP  22          1HG       DAP  22   1.838  -6.524  -6.524
  172   2HG   DNP  22          2HG       DAP  22   0.272  -6.017  -6.017
  173   3HG   DNP  22          3HG       DAP  22   1.545  -5.320  -5.320
  174    H    TYR  23           H        TYR  23   1.741  -3.389  -3.389
  175    HA   TYR  23           HA       TYR  23  -0.749  -1.722  -1.722
  176   1HB   TYR  23          2HB       TYR  23  -0.057  -3.514  -3.514
  177   2HB   TYR  23          1HB       TYR  23  -1.629  -2.999  -2.999
  178    HD1  TYR  23          1HD       TYR  23  -2.106  -3.819  -3.819
  179    HD2  TYR  23          2HD       TYR  23   0.338  -5.767  -5.767
  180    HE1  TYR  23          1HE       TYR  23  -2.453  -5.948  -5.948
  181    HE2  TYR  23          2HE       TYR  23   0.016  -7.889  -7.889
  182    HH   TYR  23           HH       TYR  23  -1.953  -8.203  -8.203
  183    H    ARG  24           H        ARG  24   2.243  -2.501  -2.501
  184    HA   ARG  24           HA       ARG  24   2.392  -0.288  -0.288
  185   1HB   ARG  24          2HB       ARG  24   3.830  -2.739  -2.739
  186   2HB   ARG  24          1HB       ARG  24   5.015  -1.489  -1.489
  187   1HG   ARG  24          2HG       ARG  24   2.988  -2.027  -2.027
  188   2HG   ARG  24          1HG       ARG  24   4.682  -2.567  -2.567
  189   1HD   ARG  24          2HD       ARG  24   3.536   0.221   0.221
  190   2HD   ARG  24          1HD       ARG  24   4.551  -0.614  -0.614
  191    HE   ARG  24           HE       ARG  24   5.538   0.364   0.364
  192   1HH1  ARG  24          2HH1      ARG  24   6.432  -1.158  -1.158
  193   2HH1  ARG  24          1HH1      ARG  24   7.775  -0.168  -0.168
  194   1HH2  ARG  24          1HH2      ARG  24   7.033   2.180   2.180
  195   2HH2  ARG  24          2HH2      ARG  24   8.154   1.828   1.828
  196    H    LEU  25           H        LEU  25   2.054   0.303   0.303
  197    HA   LEU  25           HA       LEU  25   4.370   2.096   2.096
  198   1HB   LEU  25          2HB       LEU  25   4.038   0.577   0.577
  199   2HB   LEU  25          1HB       LEU  25   2.356   0.671   0.671
  200    HG   LEU  25           HG       LEU  25   2.596   3.085   3.085
  201   1HD1  LEU  25          3HD1      LEU  25   5.599   2.568   2.568
  202   2HD1  LEU  25          2HD1      LEU  25   4.851   3.972   3.972
  203   3HD1  LEU  25          1HD1      LEU  25   4.716   3.723   3.723
  204   1HD2  LEU  25          1HD2      LEU  25   2.630   1.199   1.199
  205   2HD2  LEU  25          3HD2      LEU  25   3.660   2.510   2.510
  206   3HD2  LEU  25          2HD2      LEU  25   4.373   1.078   1.078
  207    H    SER  26           H        SER  26   1.115   2.177   2.177
  208    HA   SER  26           HA       SER  26   0.633   4.655   4.655
  209   1HB   SER  26          2HB       SER  26   1.458   5.085   5.085
  210   2HB   SER  26          1HB       SER  26  -0.136   4.472   4.472
  211    HG   SER  26           HG       SER  26   0.379   6.846   6.846
  212    H    PHE  27           H        PHE  27  -0.294   1.664   1.664
  213    HA   PHE  27           HA       PHE  27  -3.213   2.338   2.338
  214   1HB   PHE  27          2HB       PHE  27  -2.132  -0.386  -0.386
  215   2HB   PHE  27          1HB       PHE  27  -3.732   0.030   0.030
  216    HD1  PHE  27          2HD       PHE  27  -1.084   1.688   1.688
  217    HD2  PHE  27          1HD       PHE  27  -3.415  -1.864  -1.864
  218    HE1  PHE  27          2HE       PHE  27  -0.526   1.024   1.024
  219    HE2  PHE  27          1HE       PHE  27  -2.846  -2.507  -2.507
  220    HZ   PHE  27           HZ       PHE  27  -1.395  -1.078  -1.078
  221    H    CYS  28           H        CYS  28  -1.038   1.113   1.113
  222    HA   CYS  28           HA       CYS  28  -3.261   1.630   1.630
  223   1HB   CYS  28          2HB       CYS  28  -0.771   0.297   0.297
  224   2HB   CYS  28          1HB       CYS  28  -2.426  -0.211  -0.211
  225    H    ARG  29           H        ARG  29  -2.171   3.674   3.674
  226    HA   ARG  29           HA       ARG  29   0.012   5.052   5.052
  227   1HB   ARG  29          2HB       ARG  29  -2.869   5.653   5.653
  228   2HB   ARG  29          1HB       ARG  29  -1.790   6.937   6.937
  229   1HG   ARG  29          2HG       ARG  29  -0.660   6.951   6.951
  230   2HG   ARG  29          1HG       ARG  29  -1.055   5.285   5.285
  231   1HD   ARG  29          2HD       ARG  29  -3.290   5.771   5.771
  232   2HD   ARG  29          1HD       ARG  29  -3.184   7.439   7.439
  233    HE   ARG  29           HE       ARG  29  -1.708   6.242   6.242
  234   1HH1  ARG  29          2HH1      ARG  29  -0.652   8.681   8.681
  235   2HH1  ARG  29          1HH1      ARG  29  -1.333   9.968   9.968
  236   1HH2  ARG  29          1HH2      ARG  29  -3.833   7.659   7.659
  237   2HH2  ARG  29          2HH2      ARG  29  -3.348   9.314   9.314
  238    H    LYS  30           H        LYS  30  -2.635   5.133   5.133
  239    HA   LYS  30           HA       LYS  30  -0.650   5.796   5.796
  240   1HB   LYS  30          2HB       LYS  30  -3.659   6.295   6.295
  241   2HB   LYS  30          1HB       LYS  30  -2.531   6.850   6.850
  242   1HG   LYS  30          2HG       LYS  30  -1.220   7.809   7.809
  243   2HG   LYS  30          1HG       LYS  30  -2.822   7.742   7.742
  244   1HD   LYS  30          2HD       LYS  30  -3.712   9.232   9.232
  245   2HD   LYS  30          1HD       LYS  30  -2.201   9.175   9.175
  246   1HE   LYS  30          2HE       LYS  30  -1.051  10.049  10.049
  247   2HE   LYS  30          1HE       LYS  30  -2.669  10.401  10.401
  248   1HZ   LYS  30          3HZ       LYS  30  -2.455  11.460  11.460
  249   2HZ   LYS  30          2HZ       LYS  30  -1.056  11.878  11.878
  250   3HZ   LYS  30          1HZ       LYS  30  -2.596  12.280  12.280
  251    H    THR  31           H        THR  31  -2.341   3.369   3.369
  252    HA   THR  31           HA       THR  31  -3.167   2.028   2.028
  253    HB   THR  31           HB       THR  31  -3.144   1.358   1.358
  254    HG1  THR  31          1HG       THR  31  -4.780   2.580   2.580
  255   1HG2  THR  31          3HG2      THR  31  -4.087  -0.387  -0.387
  256   2HG2  THR  31          2HG2      THR  31  -4.243  -0.660  -0.660
  257   3HG2  THR  31          1HG2      THR  31  -2.648  -0.771  -0.771
  258    H    CYS  32           H        CYS  32  -0.397   2.327   2.327
  259    HA   CYS  32           HA       CYS  32   1.070   0.434   0.434
  260   1HB   CYS  32          2HB       CYS  32   1.165   0.663   0.663
  261   2HB   CYS  32          1HB       CYS  32   2.665   0.405   0.405
  262    H    GLY  33           H        GLY  33   1.223   3.119   3.119
  263   1HA   GLY  33          2HA       GLY  33   1.948   5.346   5.346
  264   2HA   GLY  33          1HA       GLY  33   3.138   4.462   4.462
  265    H    THR  34           H        THR  34   2.071   4.628   4.628
  266    HA   THR  34           HA       THR  34   4.907   4.386   4.386
  267    HB   THR  34           HB       THR  34   3.884   3.829   3.829
  268    HG1  THR  34          1HG       THR  34   1.992   4.464   4.464
  269   1HG2  THR  34          1HG2      THR  34   2.433   2.448   2.448
  270   2HG2  THR  34          3HG2      THR  34   2.587   1.823   1.823
  271   3HG2  THR  34          2HG2      THR  34   4.023   2.008   2.008
  272    H    CYS  35           HN       CYS  35   2.276   6.671   6.671
  273    HA   CYS  35           HA       CYS  35   3.745   8.591   8.591
  274   1HB   CYS  35          2HB       CYS  35   1.605   9.611   9.611
  275   2HB   CYS  35          1HB       CYS  35   1.525   8.004   8.004

  Start of MODEL    6
    1   1H    ARG   1          3H        ARG   1  -2.368  18.532  18.532
    2   2H    ARG   1          2H        ARG   1  -0.915  19.217  19.217
    3   3H    ARG   1          1H        ARG   1  -2.346  19.433  19.433
    4    HA   ARG   1           HA       ARG   1  -1.960  17.552  17.552
    5   1HB   ARG   1          2HB       ARG   1   0.439  17.366  17.366
    6   2HB   ARG   1          1HB       ARG   1   0.120  16.121  16.121
    7   1HG   ARG   1          2HG       ARG   1   1.846  17.651  17.651
    8   2HG   ARG   1          1HG       ARG   1   0.478  17.607  17.607
    9   1HD   ARG   1          2HD       ARG   1  -0.254  19.856  19.856
   10   2HD   ARG   1          1HD       ARG   1   0.979  19.856  19.856
   11    HE   ARG   1           HE       ARG   1   2.698  19.907  19.907
   12   1HH1  ARG   1          1HH2      ARG   1   1.165  18.881  18.881
   13   2HH1  ARG   1          2HH2      ARG   1   0.769  20.249  20.249
   14   1HH2  ARG   1          1HH1      ARG   1   1.504  22.412  22.412
   15   2HH2  ARG   1          2HH1      ARG   1   0.986  22.431  22.431
   16    H    SER   2           H        SER   2  -2.516  15.193  15.193
   17    HA   SER   2           HA       SER   2  -2.942  14.272  14.272
   18   1HB   SER   2          2HB       SER   2  -5.272  14.680  14.680
   19   2HB   SER   2          1HB       SER   2  -5.424  13.960  13.960
   20    HG   SER   2           HG       SER   2  -4.137  16.103  16.103
   21    H    CYS   3           H        CYS   3  -3.474  11.976  11.976
   22    HA   CYS   3           HA       CYS   3  -3.331  10.526  10.526
   23   1HB   CYS   3          2HB       CYS   3  -1.379   9.286   9.286
   24   2HB   CYS   3          1HB       CYS   3  -0.979  10.966  10.966
   25    H    ILE   4           H        ILE   4  -4.752   8.775   8.775
   26    HA   ILE   4           HA       ILE   4  -5.411   7.986   7.986
   27    HB   ILE   4           HB       ILE   4  -7.802   7.789   7.789
   28   1HG1  ILE   4          2HG1      ILE   4  -8.329   9.268   9.268
   29   2HG1  ILE   4          1HG1      ILE   4  -6.671   9.077   9.077
   30   1HG2  ILE   4          2HG2      ILE   4  -7.036   9.792   9.792
   31   2HG2  ILE   4          1HG2      ILE   4  -6.557  10.564  10.564
   32   3HG2  ILE   4          3HG2      ILE   4  -8.247  10.230  10.230
   33   1HD1  ILE   4          3HD1      ILE   4  -8.686   6.819   6.819
   34   2HD1  ILE   4          2HD1      ILE   4  -8.127   7.423   7.423
   35   3HD1  ILE   4          1HD1      ILE   4  -7.035   6.548   6.548
   36    H    ASP   5           H        ASP   5  -6.160   5.879   5.879
   37    HA   ASP   5           HA       ASP   5  -4.794   3.956   3.956
   38   1HB   ASP   5          2HB       ASP   5  -6.899   3.348   3.348
   39   2HB   ASP   5          1HB       ASP   5  -5.680   2.267   2.267
   40    H    THR   6           H        THR   6  -5.982   2.243   2.243
   41    HA   THR   6           HA       THR   6  -8.869   2.601   2.601
   42    HB   THR   6           HB       THR   6  -7.869   4.179   4.179
   43    HG1  THR   6          1HG       THR   6  -8.611   1.674   1.674
   44   1HG2  THR   6          3HG2      THR   6  -6.262   1.788   1.788
   45   2HG2  THR   6          2HG2      THR   6  -6.302   3.397   3.397
   46   3HG2  THR   6          1HG2      THR   6  -5.573   3.147   3.147
   47    H    ILE   7           H        ILE   7  -7.081   0.890   0.890
   48    HA   ILE   7           HA       ILE   7  -7.624  -1.637  -1.637
   49    HB   ILE   7           HB       ILE   7  -5.254  -0.731  -0.731
   50   1HG1  ILE   7          2HG1      ILE   7  -4.017  -2.752  -2.752
   51   2HG1  ILE   7          1HG1      ILE   7  -5.484  -3.349  -3.349
   52   1HG2  ILE   7          3HG2      ILE   7  -5.110   0.309   0.309
   53   2HG2  ILE   7          2HG2      ILE   7  -5.085  -1.280  -1.280
   54   3HG2  ILE   7          1HG2      ILE   7  -3.788  -0.776  -0.776
   55   1HD1  ILE   7          1HD1      ILE   7  -6.603  -3.242  -3.242
   56   2HD1  ILE   7          3HD1      ILE   7  -5.088  -2.685  -2.685
   57   3HD1  ILE   7          2HD1      ILE   7  -5.204  -4.301  -4.301
   58    HA   PRO   8           HA       PRO   8  -8.673  -3.154  -3.154
   59   1HB   PRO   8          2HB       PRO   8  -8.299  -5.812  -5.812
   60   2HB   PRO   8          1HB       PRO   8  -9.736  -5.006  -5.006
   61   1HG   PRO   8          2HG       PRO   8  -7.038  -5.393  -5.393
   62   2HG   PRO   8          1HG       PRO   8  -8.622  -5.997  -5.997
   63   1HD   PRO   8          2HD       PRO   8  -7.910  -3.684  -3.684
   64   2HD   PRO   8          1HD       PRO   8  -9.518  -3.740  -3.740
   65    H    LYS   9           H        LYS   9  -7.295  -2.772  -2.772
   66    HA   LYS   9           HA       LYS   9  -4.496  -2.705  -2.705
   67   1HB   LYS   9          2HB       LYS   9  -5.846  -1.718  -1.718
   68   2HB   LYS   9          1HB       LYS   9  -6.159  -3.314  -3.314
   69   1HG   LYS   9          2HG       LYS   9  -3.278  -2.638  -2.638
   70   2HG   LYS   9          1HG       LYS   9  -4.084  -1.814  -1.814
   71   1HD   LYS   9          2HD       LYS   9  -4.344  -3.757  -3.757
   72   2HD   LYS   9          1HD       LYS   9  -4.333  -4.791  -4.791
   73   1HE   LYS   9          2HE       LYS   9  -2.185  -4.779  -4.779
   74   2HE   LYS   9          1HE       LYS   9  -2.025  -4.710  -4.710
   75   1HZ   LYS   9          1HZ       LYS   9  -2.181  -2.052  -2.052
   76   2HZ   LYS   9          3HZ       LYS   9  -1.058  -2.851  -2.851
   77   3HZ   LYS   9          2HZ       LYS   9  -0.892  -2.859  -2.859
   78    H    SER  10           H        SER  10  -6.676  -5.114  -5.114
   79    HA   SER  10           HA       SER  10  -5.216  -7.245  -7.245
   80   1HB   SER  10          2HB       SER  10  -7.766  -7.219  -7.219
   81   2HB   SER  10          1HB       SER  10  -7.187  -7.785  -7.785
   82    HG   SER  10           HG       SER  10  -6.464  -9.623  -9.623
   83    H    ARG  11           H        ARG  11  -5.188  -5.967  -5.967
   84    HA   ARG  11           HA       ARG  11  -3.460  -8.089  -8.089
   85   1HB   ARG  11          2HB       ARG  11  -5.140  -6.394  -6.394
   86   2HB   ARG  11          1HB       ARG  11  -3.731  -5.360  -5.360
   87   1HG   ARG  11          2HG       ARG  11  -3.668  -6.641  -6.641
   88   2HG   ARG  11          1HG       ARG  11  -2.336  -7.110  -7.110
   89   1HD   ARG  11          2HD       ARG  11  -3.767  -9.086  -9.086
   90   2HD   ARG  11          1HD       ARG  11  -4.948  -8.603  -8.603
   91    HE   ARG  11           HE       ARG  11  -2.081  -9.324  -9.324
   92   1HH1  ARG  11          2HH1      ARG  11  -2.745  -8.667  -8.667
   93   2HH1  ARG  11          1HH1      ARG  11  -3.714  -9.877  -9.877
   94   1HH2  ARG  11          1HH2      ARG  11  -4.488 -11.249 -11.249
   95   2HH2  ARG  11          2HH2      ARG  11  -4.800 -11.483 -11.483
   96    H    CYS  12           H        CYS  12  -3.254  -4.878  -4.878
   97    HA   CYS  12           HA       CYS  12  -0.282  -4.950  -4.950
   98   1HB   CYS  12          2HB       CYS  12  -2.241  -2.782  -2.782
   99   2HB   CYS  12          1HB       CYS  12  -0.908  -2.611  -2.611
  100    H    THR  13           H        THR  13  -1.217  -6.905  -6.905
  101    HA   THR  13           HA       THR  13  -1.246  -6.635  -6.635
  102    HB   THR  13           HB       THR  13  -2.253  -8.690  -8.690
  103    HG1  THR  13          1HG       THR  13  -0.262 -10.118 -10.118
  104   1HG2  THR  13          3HG2      THR  13   0.479  -9.286  -9.286
  105   2HG2  THR  13          2HG2      THR  13  -0.926 -10.356 -10.356
  106   3HG2  THR  13          1HG2      THR  13  -0.996  -8.844  -8.844
  107    H    ALA  14           H        ALA  14   0.450  -7.353  -7.353
  108    HA   ALA  14           HA       ALA  14   2.796  -5.905  -5.905
  109   1HB   ALA  14          2HB       ALA  14   2.466  -8.684  -8.684
  110   2HB   ALA  14          1HB       ALA  14   3.747  -7.546  -7.546
  111   3HB   ALA  14          3HB       ALA  14   2.084  -7.157  -7.157
  112    H    PHE  15           H        PHE  15   2.093  -8.833  -8.833
  113    HA   PHE  15           HA       PHE  15   4.720  -9.685  -9.685
  114   1HB   PHE  15          2HB       PHE  15   2.217 -10.462 -10.462
  115   2HB   PHE  15          1HB       PHE  15   3.600 -11.451 -11.451
  116    HD1  PHE  15          2HD       PHE  15   3.470 -10.514 -10.514
  117    HD2  PHE  15          1HD       PHE  15   0.699 -12.185 -12.185
  118    HE1  PHE  15          2HE       PHE  15   2.172 -11.459 -11.459
  119    HE2  PHE  15          1HE       PHE  15  -0.586 -13.125 -13.125
  120    HZ   PHE  15           HZ       PHE  15   0.142 -12.761 -12.761
  121    H    GLN  16           H        GLN  16   2.140  -7.926  -7.926
  122    HA   GLN  16           HA       GLN  16   3.775  -7.554  -7.554
  123   1HB   GLN  16          2HB       GLN  16   0.976  -6.509  -6.509
  124   2HB   GLN  16          1HB       GLN  16   1.732  -6.912  -6.912
  125   1HG   GLN  16          2HG       GLN  16   1.933  -9.294  -9.294
  126   2HG   GLN  16          1HG       GLN  16   0.350  -8.650  -8.650
  127   1HE2  GLN  16          2HE2      GLN  16   1.057 -10.424 -10.424
  128   2HE2  GLN  16          1HE2      GLN  16   2.279 -10.298 -10.298
  129    H    CYS  17           H        CYS  17   2.784  -5.944  -5.944
  130    HA   CYS  17           HA       CYS  17   2.958  -3.198  -3.198
  131   1HB   CYS  17          2HB       CYS  17   2.153  -4.149  -4.149
  132   2HB   CYS  17          1HB       CYS  17   3.805  -4.169  -4.169
  133    H    LYS  18           H        LYS  18   5.193  -5.566  -5.566
  134    HA   LYS  18           HA       LYS  18   7.536  -3.723  -3.723
  135   1HB   LYS  18          2HB       LYS  18   7.000  -6.328  -6.328
  136   2HB   LYS  18          1HB       LYS  18   8.584  -6.120  -6.120
  137   1HG   LYS  18          2HG       LYS  18   8.701  -3.870  -3.870
  138   2HG   LYS  18          1HG       LYS  18   7.168  -4.278  -4.278
  139   1HD   LYS  18          2HD       LYS  18   8.153  -6.215  -6.215
  140   2HD   LYS  18          1HD       LYS  18   9.665  -6.026  -6.026
  141   1HE   LYS  18          2HE       LYS  18   9.960  -3.740  -3.740
  142   2HE   LYS  18          1HE       LYS  18   8.491  -4.005  -4.005
  143   1HZ   LYS  18          2HZ       LYS  18  10.156  -6.225  -6.225
  144   2HZ   LYS  18          1HZ       LYS  18  11.083  -4.834  -4.834
  145   3HZ   LYS  18          3HZ       LYS  18   9.637  -5.070  -5.070
  146    H    HIS  19           H        HIS  19   6.324  -6.829  -6.829
  147    HA   HIS  19           HA       HIS  19   8.256  -6.651  -6.651
  148   1HB   HIS  19          2HB       HIS  19   6.418  -8.895  -8.895
  149   2HB   HIS  19          1HB       HIS  19   7.535  -8.989  -8.989
  150    HD1  HIS  19          1HD       HIS  19  10.097  -8.615  -8.615
  151    HD2  HIS  19          2HD       HIS  19   7.549  -9.356  -9.356
  152    HE1  HIS  19          1HE       HIS  19  11.447  -9.306  -9.306
  153    H    SER  20           H        SER  20   4.796  -5.967  -5.967
  154    HA   SER  20           HA       SER  20   4.759  -6.517  -6.517
  155   1HB   SER  20          2HB       SER  20   2.504  -5.804  -5.804
  156   2HB   SER  20          1HB       SER  20   2.350  -6.383  -6.383
  157    HG   SER  20           HG       SER  20   2.393  -8.345  -8.345
  158    H    MET  21           H        MET  21   6.154  -4.634  -4.634
  159    HA   MET  21           HA       MET  21   5.222  -1.890  -1.890
  160   1HB   MET  21          2HB       MET  21   7.679  -2.803  -2.803
  161   2HB   MET  21          1HB       MET  21   7.373  -3.141  -3.141
  162   1HG   MET  21          2HG       MET  21   8.544  -1.207  -1.207
  163   2HG   MET  21          1HG       MET  21   6.933  -0.588  -0.588
  164   1HE   MET  21          3HE       MET  21   5.768   0.540   0.540
  165   2HE   MET  21          2HE       MET  21   6.432   1.512   1.512
  166   3HE   MET  21          1HE       MET  21   6.768   1.954   1.954
  167   1HN   DNP  22           HN       DAP  22   3.207  -2.447  -2.447
  168    HA   DNP  22           HA       DAP  22   2.604  -1.317  -1.317
  169   1HB   DNP  22          1HB       DAP  22   1.251  -3.256  -3.256
  170   2HB   DNP  22          2HB       DAP  22   1.744  -4.225  -4.225
  171   1HG   DNP  22          1HG       DAP  22   4.048  -3.213  -3.213
  172   2HG   DNP  22          2HG       DAP  22   3.057  -3.980  -3.980
  173   3HG   DNP  22          3HG       DAP  22   3.606  -4.817  -4.817
  174    H    TYR  23           H        TYR  23   1.333  -3.434  -3.434
  175    HA   TYR  23           HA       TYR  23  -0.968  -1.632  -1.632
  176   1HB   TYR  23          2HB       TYR  23  -0.091  -3.480  -3.480
  177   2HB   TYR  23          1HB       TYR  23  -1.716  -3.082  -3.082
  178    HD1  TYR  23          1HD       TYR  23  -2.066  -3.788  -3.788
  179    HD2  TYR  23          2HD       TYR  23   0.356  -5.743  -5.743
  180    HE1  TYR  23          1HE       TYR  23  -2.220  -5.870  -5.870
  181    HE2  TYR  23          2HE       TYR  23   0.214  -7.797  -7.797
  182    HH   TYR  23           HH       TYR  23  -0.192  -8.398  -8.398
  183    H    ARG  24           H        ARG  24   1.954  -2.528  -2.528
  184    HA   ARG  24           HA       ARG  24   2.246  -0.407  -0.407
  185   1HB   ARG  24          2HB       ARG  24   3.123  -2.967  -2.967
  186   2HB   ARG  24          1HB       ARG  24   4.504  -2.162  -2.162
  187   1HG   ARG  24          2HG       ARG  24   3.271  -1.751  -1.751
  188   2HG   ARG  24          1HG       ARG  24   4.730  -2.670  -2.670
  189   1HD   ARG  24          2HD       ARG  24   4.401   0.304   0.304
  190   2HD   ARG  24          1HD       ARG  24   5.221  -0.487  -0.487
  191    HE   ARG  24           HE       ARG  24   6.105  -0.595  -0.595
  192   1HH1  ARG  24          1HH2      ARG  24   7.894  -2.492  -2.492
  193   2HH1  ARG  24          2HH2      ARG  24   9.034  -1.886  -1.886
  194   1HH2  ARG  24          2HH1      ARG  24   6.942   0.794   0.794
  195   2HH2  ARG  24          1HH1      ARG  24   8.479   0.090   0.090
  196    H    LEU  25           H        LEU  25   1.971   0.272   0.272
  197    HA   LEU  25           HA       LEU  25   4.331   1.984   1.984
  198   1HB   LEU  25          2HB       LEU  25   3.948   0.171   0.171
  199   2HB   LEU  25          1HB       LEU  25   2.374   0.705   0.705
  200    HG   LEU  25           HG       LEU  25   3.114   2.872   2.872
  201   1HD1  LEU  25          3HD1      LEU  25   5.935   1.758   1.758
  202   2HD1  LEU  25          2HD1      LEU  25   5.511   3.255   3.255
  203   3HD1  LEU  25          1HD1      LEU  25   5.255   3.105   3.105
  204   1HD2  LEU  25          1HD2      LEU  25   4.490   0.465   0.465
  205   2HD2  LEU  25          3HD2      LEU  25   2.817   0.954   0.954
  206   3HD2  LEU  25          2HD2      LEU  25   4.122   1.977   1.977
  207    H    SER  26           H        SER  26   1.208   2.029   2.029
  208    HA   SER  26           HA       SER  26   0.631   4.586   4.586
  209   1HB   SER  26          2HB       SER  26  -0.276   5.317   5.317
  210   2HB   SER  26          1HB       SER  26   1.491   5.120   5.120
  211    HG   SER  26           HG       SER  26  -0.364   3.605   3.605
  212    H    PHE  27           H        PHE  27  -0.351   1.710   1.710
  213    HA   PHE  27           HA       PHE  27  -3.271   2.381   2.381
  214   1HB   PHE  27          2HB       PHE  27  -2.346  -0.351  -0.351
  215   2HB   PHE  27          1HB       PHE  27  -3.855   0.144   0.144
  216    HD1  PHE  27          2HD       PHE  27  -1.372   1.792   1.792
  217    HD2  PHE  27          1HD       PHE  27  -3.117  -2.010  -2.010
  218    HE1  PHE  27          2HE       PHE  27  -0.662   1.024   1.024
  219    HE2  PHE  27          1HE       PHE  27  -2.402  -2.780  -2.780
  220    HZ   PHE  27           HZ       PHE  27  -1.168  -1.271  -1.271
  221    H    CYS  28           H        CYS  28  -1.146   1.152   1.152
  222    HA   CYS  28           HA       CYS  28  -3.398   1.640   1.640
  223   1HB   CYS  28          2HB       CYS  28  -1.037   0.226   0.226
  224   2HB   CYS  28          1HB       CYS  28  -2.727  -0.197  -0.197
  225    H    ARG  29           H        ARG  29  -2.094   3.635   3.635
  226    HA   ARG  29           HA       ARG  29   0.154   4.829   4.829
  227   1HB   ARG  29          2HB       ARG  29  -2.591   5.738   5.738
  228   2HB   ARG  29          1HB       ARG  29  -1.585   6.854   6.854
  229   1HG   ARG  29          2HG       ARG  29  -0.666   7.552   7.552
  230   2HG   ARG  29          1HG       ARG  29   0.125   6.026   6.026
  231   1HD   ARG  29          2HD       ARG  29  -1.056   6.052   6.052
  232   2HD   ARG  29          1HD       ARG  29  -2.163   5.159   5.159
  233    HE   ARG  29           HE       ARG  29  -3.104   7.601   7.601
  234   1HH1  ARG  29          1HH2      ARG  29  -1.578   8.504   8.504
  235   2HH1  ARG  29          2HH2      ARG  29  -2.716   8.335   8.335
  236   1HH2  ARG  29          2HH1      ARG  29  -4.732   6.318   6.318
  237   2HH2  ARG  29          1HH1      ARG  29  -4.712   6.933   6.933
  238    H    LYS  30           H        LYS  30  -2.501   4.968   4.968
  239    HA   LYS  30           HA       LYS  30  -0.647   5.934   5.934
  240   1HB   LYS  30          2HB       LYS  30  -3.699   5.789   5.789
  241   2HB   LYS  30          1HB       LYS  30  -2.764   6.419   6.419
  242   1HG   LYS  30          2HG       LYS  30  -1.472   7.838   7.838
  243   2HG   LYS  30          1HG       LYS  30  -2.667   7.350   7.350
  244   1HD   LYS  30          2HD       LYS  30  -4.391   8.595   8.595
  245   2HD   LYS  30          1HD       LYS  30  -3.627   8.763   8.763
  246   1HE   LYS  30          2HE       LYS  30  -2.482   9.807   9.807
  247   2HE   LYS  30          1HE       LYS  30  -3.343  10.815  10.815
  248   1HZ   LYS  30          1HZ       LYS  30  -1.342   9.466   9.466
  249   2HZ   LYS  30          3HZ       LYS  30  -0.623  10.002  10.002
  250   3HZ   LYS  30          2HZ       LYS  30  -1.352  11.114  11.114
  251    H    THR  31           H        THR  31  -3.021   3.589   3.589
  252    HA   THR  31           HA       THR  31  -3.183   1.912   1.912
  253    HB   THR  31           HB       THR  31  -3.170   1.411   1.411
  254    HG1  THR  31          1HG       THR  31  -4.939   2.415   2.415
  255   1HG2  THR  31          2HG2      THR  31  -3.879  -0.519  -0.519
  256   2HG2  THR  31          1HG2      THR  31  -4.126  -0.751  -0.751
  257   3HG2  THR  31          3HG2      THR  31  -2.488  -0.757  -0.757
  258    H    CYS  32           H        CYS  32  -0.392   2.188   2.188
  259    HA   CYS  32           HA       CYS  32   1.006   0.228   0.228
  260   1HB   CYS  32          2HB       CYS  32   0.793  -0.696  -0.696
  261   2HB   CYS  32          1HB       CYS  32   1.590   0.718   0.718
  262    H    GLY  33           H        GLY  33   1.239   3.029   3.029
  263   1HA   GLY  33          2HA       GLY  33   2.184   5.098   5.098
  264   2HA   GLY  33          1HA       GLY  33   3.419   4.080   4.080
  265    H    THR  34           H        THR  34   2.156   4.519   4.519
  266    HA   THR  34           HA       THR  34   4.995   4.521   4.521
  267    HB   THR  34           HB       THR  34   3.987   4.113   4.113
  268    HG1  THR  34          1HG       THR  34   2.008   4.414   4.414
  269   1HG2  THR  34          1HG2      THR  34   2.850   2.383   2.383
  270   2HG2  THR  34          3HG2      THR  34   2.955   1.929   1.929
  271   3HG2  THR  34          2HG2      THR  34   4.434   2.214   2.214
  272    H    CYS  35           HN       CYS  35   2.339   6.767   6.767
  273    HA   CYS  35           HA       CYS  35   3.842   8.760   8.760
  274   1HB   CYS  35          2HB       CYS  35   1.729   9.742   9.742
  275   2HB   CYS  35          1HB       CYS  35   1.726   8.176   8.176

  Start of MODEL    7
    1   1H    ARG   1          2H        ARG   1  -2.835  17.105  17.105
    2   2H    ARG   1          1H        ARG   1  -1.662  18.324  18.324
    3   3H    ARG   1          3H        ARG   1  -1.568  17.175  17.175
    4    HA   ARG   1           HA       ARG   1  -0.362  15.796  15.796
    5   1HB   ARG   1          2HB       ARG   1   0.378  18.033  18.033
    6   2HB   ARG   1          1HB       ARG   1  -0.916  17.759  17.759
    7   1HG   ARG   1          2HG       ARG   1   0.152  15.583  15.583
    8   2HG   ARG   1          1HG       ARG   1   1.462  15.891  15.891
    9   1HD   ARG   1          2HD       ARG   1   0.754  17.597  17.597
   10   2HD   ARG   1          1HD       ARG   1   2.119  16.513  16.513
   11    HE   ARG   1           HE       ARG   1   2.911  18.033  18.033
   12   1HH1  ARG   1          1HH2      ARG   1   0.485  19.727  19.727
   13   2HH1  ARG   1          2HH2      ARG   1   1.049  21.114  21.114
   14   1HH2  ARG   1          1HH1      ARG   1   3.971  19.315  19.315
   15   2HH2  ARG   1          2HH1      ARG   1   3.215  20.852  20.852
   16    H    SER   2           H        SER   2  -2.622  14.825  14.825
   17    HA   SER   2           HA       SER   2  -3.963  13.998  13.998
   18   1HB   SER   2          2HB       SER   2  -5.317  14.268  14.268
   19   2HB   SER   2          1HB       SER   2  -6.067  14.243  14.243
   20    HG   SER   2           HG       SER   2  -5.738  16.321  16.321
   21    H    CYS   3           H        CYS   3  -3.095  12.067  12.067
   22    HA   CYS   3           HA       CYS   3  -3.104  10.086  10.086
   23   1HB   CYS   3          2HB       CYS   3  -1.241  10.682  10.682
   24   2HB   CYS   3          1HB       CYS   3  -1.384   9.029   9.029
   25    H    ILE   4           H        ILE   4  -5.011   9.016   9.016
   26    HA   ILE   4           HA       ILE   4  -5.687   7.990   7.990
   27    HB   ILE   4           HB       ILE   4  -8.033   7.915   7.915
   28   1HG1  ILE   4          2HG1      ILE   4  -8.517   9.272   9.272
   29   2HG1  ILE   4          1HG1      ILE   4  -6.886   8.844   8.844
   30   1HG2  ILE   4          2HG2      ILE   4  -7.253   9.972   9.972
   31   2HG2  ILE   4          1HG2      ILE   4  -6.717  10.622  10.622
   32   3HG2  ILE   4          3HG2      ILE   4  -8.425  10.368  10.368
   33   1HD1  ILE   4          3HD1      ILE   4  -9.114   6.874   6.874
   34   2HD1  ILE   4          2HD1      ILE   4  -8.524   7.239   7.239
   35   3HD1  ILE   4          1HD1      ILE   4  -7.500   6.396   6.396
   36    H    ASP   5           H        ASP   5  -6.110   5.887   5.887
   37    HA   ASP   5           HA       ASP   5  -4.815   4.121   4.121
   38   1HB   ASP   5          2HB       ASP   5  -6.660   3.451   3.451
   39   2HB   ASP   5          1HB       ASP   5  -5.473   2.423   2.423
   40    H    THR   6           H        THR   6  -5.838   2.498   2.498
   41    HA   THR   6           HA       THR   6  -8.772   2.578   2.578
   42    HB   THR   6           HB       THR   6  -7.833   4.201   4.201
   43    HG1  THR   6          1HG       THR   6  -8.512   1.675   1.675
   44   1HG2  THR   6          1HG2      THR   6  -6.126   1.892   1.892
   45   2HG2  THR   6          3HG2      THR   6  -6.226   3.509   3.509
   46   3HG2  THR   6          2HG2      THR   6  -5.485   3.267   3.267
   47    H    ILE   7           H        ILE   7  -6.990   0.975   0.975
   48    HA   ILE   7           HA       ILE   7  -7.260  -1.557  -1.557
   49    HB   ILE   7           HB       ILE   7  -4.879  -0.552  -0.552
   50   1HG1  ILE   7          2HG1      ILE   7  -3.798  -2.722  -2.722
   51   2HG1  ILE   7          1HG1      ILE   7  -5.347  -3.365  -3.365
   52   1HG2  ILE   7          2HG2      ILE   7  -5.194   0.087   0.087
   53   2HG2  ILE   7          1HG2      ILE   7  -5.205  -1.625  -1.625
   54   3HG2  ILE   7          3HG2      ILE   7  -3.785  -0.901  -0.901
   55   1HD1  ILE   7          3HD1      ILE   7  -4.594  -2.351  -2.351
   56   2HD1  ILE   7          2HD1      ILE   7  -4.726  -4.047  -4.047
   57   3HD1  ILE   7          1HD1      ILE   7  -6.144  -3.023  -3.023
   58    HA   PRO   8           HA       PRO   8  -8.763  -3.395  -3.395
   59   1HB   PRO   8          2HB       PRO   8  -7.984  -5.967  -5.967
   60   2HB   PRO   8          1HB       PRO   8  -9.530  -5.298  -5.298
   61   1HG   PRO   8          2HG       PRO   8  -6.824  -5.197  -5.197
   62   2HG   PRO   8          1HG       PRO   8  -8.340  -5.910  -5.910
   63   1HD   PRO   8          2HD       PRO   8  -7.936  -3.440  -3.440
   64   2HD   PRO   8          1HD       PRO   8  -9.474  -3.729  -3.729
   65    H    LYS   9           H        LYS   9  -7.417  -2.712  -2.712
   66    HA   LYS   9           HA       LYS   9  -4.608  -2.592  -2.592
   67   1HB   LYS   9          2HB       LYS   9  -6.089  -1.660  -1.660
   68   2HB   LYS   9          1HB       LYS   9  -6.436  -3.269  -3.269
   69   1HG   LYS   9          2HG       LYS   9  -3.537  -2.556  -2.556
   70   2HG   LYS   9          1HG       LYS   9  -4.469  -1.814  -1.814
   71   1HD   LYS   9          2HD       LYS   9  -4.814  -3.918  -3.918
   72   2HD   LYS   9          1HD       LYS   9  -4.481  -4.811  -4.811
   73   1HE   LYS   9          2HE       LYS   9  -2.504  -4.861  -4.861
   74   2HE   LYS   9          1HE       LYS   9  -2.100  -4.207  -4.207
   75   1HZ   LYS   9          2HZ       LYS   9  -3.002  -2.079  -2.079
   76   2HZ   LYS   9          1HZ       LYS   9  -1.820  -2.939  -2.939
   77   3HZ   LYS   9          3HZ       LYS   9  -1.481  -2.302  -2.302
   78    H    SER  10           H        SER  10  -6.820  -5.066  -5.066
   79    HA   SER  10           HA       SER  10  -5.550  -7.166  -7.166
   80   1HB   SER  10          2HB       SER  10  -7.168  -7.792  -7.792
   81   2HB   SER  10          1HB       SER  10  -7.424  -8.366  -8.366
   82    HG   SER  10           HG       SER  10  -8.933  -6.821  -6.821
   83    H    ARG  11           H        ARG  11  -5.231  -6.070  -6.070
   84    HA   ARG  11           HA       ARG  11  -3.412  -8.149  -8.149
   85   1HB   ARG  11          2HB       ARG  11  -5.164  -6.612  -6.612
   86   2HB   ARG  11          1HB       ARG  11  -3.821  -5.504  -5.504
   87   1HG   ARG  11          2HG       ARG  11  -3.596  -6.871  -6.871
   88   2HG   ARG  11          1HG       ARG  11  -2.328  -7.306  -7.306
   89   1HD   ARG  11          2HD       ARG  11  -3.914  -9.228  -9.228
   90   2HD   ARG  11          1HD       ARG  11  -4.887  -8.821  -8.821
   91    HE   ARG  11           HE       ARG  11  -1.966  -9.631  -9.631
   92   1HH1  ARG  11          2HH1      ARG  11  -2.624  -8.744  -8.744
   93   2HH1  ARG  11          1HH1      ARG  11  -3.445 -10.021 -10.021
   94   1HH2  ARG  11          1HH2      ARG  11  -4.027 -11.713 -11.713
   95   2HH2  ARG  11          2HH2      ARG  11  -4.289 -11.859 -11.859
   96    H    CYS  12           H        CYS  12  -3.303  -5.132  -5.132
   97    HA   CYS  12           HA       CYS  12  -0.406  -4.726  -4.726
   98   1HB   CYS  12          2HB       CYS  12  -2.432  -3.063  -3.063
   99   2HB   CYS  12          1HB       CYS  12  -0.956  -2.505  -2.505
  100    H    THR  13           H        THR  13  -1.293  -6.947  -6.947
  101    HA   THR  13           HA       THR  13  -1.235  -6.648  -6.648
  102    HB   THR  13           HB       THR  13  -2.229  -8.742  -8.742
  103    HG1  THR  13          1HG       THR  13  -0.186 -10.130 -10.130
  104   1HG2  THR  13          2HG2      THR  13   0.411  -9.224  -9.224
  105   2HG2  THR  13          1HG2      THR  13  -0.961 -10.331 -10.331
  106   3HG2  THR  13          3HG2      THR  13  -1.113  -8.806  -8.806
  107    H    ALA  14           H        ALA  14   0.520  -7.042  -7.042
  108    HA   ALA  14           HA       ALA  14   2.843  -5.645  -5.645
  109   1HB   ALA  14          1HB       ALA  14   2.218  -6.740  -6.740
  110   2HB   ALA  14          3HB       ALA  14   2.605  -8.315  -8.315
  111   3HB   ALA  14          2HB       ALA  14   3.877  -7.127  -7.127
  112    H    PHE  15           H        PHE  15   2.151  -8.744  -8.744
  113    HA   PHE  15           HA       PHE  15   4.659  -9.732  -9.732
  114   1HB   PHE  15          2HB       PHE  15   2.137 -10.464 -10.464
  115   2HB   PHE  15          1HB       PHE  15   3.439 -11.489 -11.489
  116    HD1  PHE  15          2HD       PHE  15   3.150 -10.281 -10.281
  117    HD2  PHE  15          1HD       PHE  15   0.551 -12.144 -12.144
  118    HE1  PHE  15          2HE       PHE  15   1.718 -11.078 -11.078
  119    HE2  PHE  15          1HE       PHE  15  -0.864 -12.936 -12.936
  120    HZ   PHE  15           HZ       PHE  15  -0.287 -12.400 -12.400
  121    H    GLN  16           H        GLN  16   2.091  -8.053  -8.053
  122    HA   GLN  16           HA       GLN  16   3.745  -7.769  -7.769
  123   1HB   GLN  16          2HB       GLN  16   0.910  -6.817  -6.817
  124   2HB   GLN  16          1HB       GLN  16   1.558  -7.110  -7.110
  125   1HG   GLN  16          2HG       GLN  16   1.931  -9.536  -9.536
  126   2HG   GLN  16          1HG       GLN  16   0.305  -8.946  -8.946
  127   1HE2  GLN  16          2HE2      GLN  16   1.510 -10.424 -10.424
  128   2HE2  GLN  16          1HE2      GLN  16   2.683  -9.954  -9.954
  129    H    CYS  17           H        CYS  17   2.623  -6.081  -6.081
  130    HA   CYS  17           HA       CYS  17   2.922  -3.362  -3.362
  131   1HB   CYS  17          2HB       CYS  17   2.059  -4.626  -4.626
  132   2HB   CYS  17          1HB       CYS  17   3.555  -3.925  -3.925
  133    H    LYS  18           H        LYS  18   5.070  -5.808  -5.808
  134    HA   LYS  18           HA       LYS  18   7.396  -3.967  -3.967
  135   1HB   LYS  18          2HB       LYS  18   6.772  -6.330  -6.330
  136   2HB   LYS  18          1HB       LYS  18   8.295  -6.530  -6.530
  137   1HG   LYS  18          2HG       LYS  18   8.972  -4.211  -4.211
  138   2HG   LYS  18          1HG       LYS  18   7.471  -4.122  -4.122
  139   1HD   LYS  18          2HD       LYS  18   8.122  -5.982  -5.982
  140   2HD   LYS  18          1HD       LYS  18   9.539  -6.319  -6.319
  141   1HE   LYS  18          2HE       LYS  18  10.462  -4.042  -4.042
  142   2HE   LYS  18          1HE       LYS  18   9.066  -3.747  -3.747
  143   1HZ   LYS  18          2HZ       LYS  18  10.143  -6.224  -6.224
  144   2HZ   LYS  18          1HZ       LYS  18  11.422  -5.115  -5.115
  145   3HZ   LYS  18          3HZ       LYS  18  10.083  -4.789  -4.789
  146    H    HIS  19           H        HIS  19   6.141  -7.138  -7.138
  147    HA   HIS  19           HA       HIS  19   8.149  -6.943  -6.943
  148   1HB   HIS  19          2HB       HIS  19   6.633  -9.372  -9.372
  149   2HB   HIS  19          1HB       HIS  19   7.878  -9.381  -9.381
  150    HD1  HIS  19          1HD       HIS  19  10.258  -8.509  -8.509
  151    HD2  HIS  19          2HD       HIS  19   7.576  -9.403  -9.403
  152    HE1  HIS  19          1HE       HIS  19  11.511  -8.749  -8.749
  153    H    SER  20           H        SER  20   5.593  -5.474  -5.474
  154    HA   SER  20           HA       SER  20   4.798  -6.639  -6.639
  155   1HB   SER  20          2HB       SER  20   2.841  -5.910  -5.910
  156   2HB   SER  20          1HB       SER  20   2.421  -6.437  -6.437
  157    HG   SER  20           HG       SER  20   4.265  -8.137  -8.137
  158    H    MET  21           H        MET  21   6.241  -4.686  -4.686
  159    HA   MET  21           HA       MET  21   5.038  -2.067  -2.067
  160   1HB   MET  21          2HB       MET  21   7.292  -3.139  -3.139
  161   2HB   MET  21          1HB       MET  21   6.853  -1.450  -1.450
  162   1HG   MET  21          2HG       MET  21   7.837  -3.077  -3.077
  163   2HG   MET  21          1HG       MET  21   8.722  -1.833  -1.833
  164   1HE   MET  21          1HE       MET  21   7.333   0.470   0.470
  165   2HE   MET  21          3HE       MET  21   5.637   0.168   0.168
  166   3HE   MET  21          2HE       MET  21   6.593   1.321   1.321
  167   1HN   DNP  22           HN       DAP  22   3.071  -2.563  -2.563
  168    HA   DNP  22           HA       DAP  22   2.342  -1.894  -1.894
  169   1HB   DNP  22          1HB       DAP  22   0.867  -3.888  -3.888
  170   2HB   DNP  22          2HB       DAP  22   1.312  -4.523  -4.523
  171   1HG   DNP  22          1HG       DAP  22   3.058  -5.549  -5.549
  172   2HG   DNP  22          2HG       DAP  22   3.663  -4.091  -4.091
  173   3HG   DNP  22          3HG       DAP  22   2.578  -5.004  -5.004
  174    H    TYR  23           H        TYR  23   1.221  -3.442  -3.442
  175    HA   TYR  23           HA       TYR  23  -0.936  -1.503  -1.503
  176   1HB   TYR  23          2HB       TYR  23  -0.118  -3.328  -3.328
  177   2HB   TYR  23          1HB       TYR  23  -1.710  -2.945  -2.945
  178    HD1  TYR  23          2HD       TYR  23  -1.671  -3.613  -3.613
  179    HD2  TYR  23          1HD       TYR  23   0.101  -5.692  -5.692
  180    HE1  TYR  23          2HE       TYR  23  -1.818  -5.704  -5.704
  181    HE2  TYR  23          1HE       TYR  23  -0.027  -7.755  -7.755
  182    HH   TYR  23           HH       TYR  23  -0.136  -8.437  -8.437
  183    H    ARG  24           H        ARG  24   1.986  -2.372  -2.372
  184    HA   ARG  24           HA       ARG  24   2.377  -0.172  -0.172
  185   1HB   ARG  24          2HB       ARG  24   3.513  -2.701  -2.701
  186   2HB   ARG  24          1HB       ARG  24   4.805  -1.596  -1.596
  187   1HG   ARG  24          2HG       ARG  24   3.220  -1.841  -1.841
  188   2HG   ARG  24          1HG       ARG  24   4.833  -2.523  -2.523
  189   1HD   ARG  24          2HD       ARG  24   4.052   0.409   0.409
  190   2HD   ARG  24          1HD       ARG  24   5.088  -0.556  -0.556
  191    HE   ARG  24           HE       ARG  24   5.790   0.231   0.231
  192   1HH1  ARG  24          2HH1      ARG  24   7.535  -1.725  -1.725
  193   2HH1  ARG  24          1HH1      ARG  24   8.820  -1.165  -1.165
  194   1HH2  ARG  24          1HH2      ARG  24   6.704   1.591   1.591
  195   2HH2  ARG  24          2HH2      ARG  24   8.293   0.980   0.980
  196    H    LEU  25           H        LEU  25   2.073   0.301   0.301
  197    HA   LEU  25           HA       LEU  25   4.402   2.056   2.056
  198   1HB   LEU  25          2HB       LEU  25   3.812   0.098   0.098
  199   2HB   LEU  25          1HB       LEU  25   2.354   0.834   0.834
  200    HG   LEU  25           HG       LEU  25   3.565   2.893   2.893
  201   1HD1  LEU  25          1HD1      LEU  25   5.998   1.058   1.058
  202   2HD1  LEU  25          3HD1      LEU  25   5.944   2.609   2.609
  203   3HD1  LEU  25          2HD1      LEU  25   5.763   2.535   2.535
  204   1HD2  LEU  25          1HD2      LEU  25   4.146   0.219   0.219
  205   2HD2  LEU  25          3HD2      LEU  25   2.655   1.142   1.142
  206   3HD2  LEU  25          2HD2      LEU  25   4.152   1.789   1.789
  207    H    SER  26           H        SER  26   1.060   1.891   1.891
  208    HA   SER  26           HA       SER  26   0.556   4.578   4.578
  209   1HB   SER  26          2HB       SER  26   0.235   3.902   3.902
  210   2HB   SER  26          1HB       SER  26  -0.218   5.440   5.440
  211    HG   SER  26           HG       SER  26   2.192   5.073   5.073
  212    H    PHE  27           H        PHE  27  -0.390   1.658   1.658
  213    HA   PHE  27           HA       PHE  27  -3.304   2.346   2.346
  214   1HB   PHE  27          2HB       PHE  27  -2.446  -0.438  -0.438
  215   2HB   PHE  27          1HB       PHE  27  -3.925   0.123   0.123
  216    HD1  PHE  27          2HD       PHE  27  -1.647   1.799   1.799
  217    HD2  PHE  27          1HD       PHE  27  -3.031  -2.130  -2.130
  218    HE1  PHE  27          2HE       PHE  27  -0.935   1.062   1.062
  219    HE2  PHE  27          1HE       PHE  27  -2.326  -2.862  -2.862
  220    HZ   PHE  27           HZ       PHE  27  -1.271  -1.272  -1.272
  221    H    CYS  28           H        CYS  28  -1.145   1.116   1.116
  222    HA   CYS  28           HA       CYS  28  -3.320   1.608   1.608
  223   1HB   CYS  28          2HB       CYS  28  -0.807   0.301   0.301
  224   2HB   CYS  28          1HB       CYS  28  -2.461  -0.229  -0.229
  225    H    ARG  29           H        ARG  29  -2.081   3.552   3.552
  226    HA   ARG  29           HA       ARG  29   0.145   4.858   4.858
  227   1HB   ARG  29          2HB       ARG  29  -2.692   5.649   5.649
  228   2HB   ARG  29          1HB       ARG  29  -1.522   6.904   6.904
  229   1HG   ARG  29          2HG       ARG  29  -0.318   6.149   6.149
  230   2HG   ARG  29          1HG       ARG  29  -1.441   4.831   4.831
  231   1HD   ARG  29          2HD       ARG  29  -2.427   6.178   6.178
  232   2HD   ARG  29          1HD       ARG  29  -3.195   6.903   6.903
  233    HE   ARG  29           HE       ARG  29  -1.322   8.595   8.595
  234   1HH1  ARG  29          1HH2      ARG  29   0.537   8.872   8.872
  235   2HH1  ARG  29          2HH2      ARG  29   0.188   9.204   9.204
  236   1HH2  ARG  29          2HH1      ARG  29  -3.169   8.049   8.049
  237   2HH2  ARG  29          1HH1      ARG  29  -2.115   8.731   8.731
  238    H    LYS  30           H        LYS  30  -2.581   5.145   5.145
  239    HA   LYS  30           HA       LYS  30  -0.615   6.110   6.110
  240   1HB   LYS  30          2HB       LYS  30  -3.643   5.911   5.911
  241   2HB   LYS  30          1HB       LYS  30  -2.595   6.678   6.678
  242   1HG   LYS  30          2HG       LYS  30  -1.718   8.077   8.077
  243   2HG   LYS  30          1HG       LYS  30  -3.199   7.529   7.529
  244   1HD   LYS  30          2HD       LYS  30  -4.569   8.530   8.530
  245   2HD   LYS  30          1HD       LYS  30  -3.142   8.863   8.863
  246   1HE   LYS  30          2HE       LYS  30  -2.341  10.335  10.335
  247   2HE   LYS  30          1HE       LYS  30  -4.017  10.222  10.222
  248   1HZ   LYS  30          1HZ       LYS  30  -4.092  10.780  10.780
  249   2HZ   LYS  30          3HZ       LYS  30  -2.950  11.831  11.831
  250   3HZ   LYS  30          2HZ       LYS  30  -4.555  11.800  11.800
  251    H    THR  31           H        THR  31  -2.495   3.447   3.447
  252    HA   THR  31           HA       THR  31  -2.606   2.097   2.097
  253    HB   THR  31           HB       THR  31  -2.885   1.220   1.220
  254    HG1  THR  31          1HG       THR  31  -4.667   2.163   2.163
  255   1HG2  THR  31          2HG2      THR  31  -3.367  -0.376  -0.376
  256   2HG2  THR  31          1HG2      THR  31  -3.813  -0.843  -0.843
  257   3HG2  THR  31          3HG2      THR  31  -2.114  -0.754  -0.754
  258    H    CYS  32           H        CYS  32  -0.056   2.381   2.381
  259    HA   CYS  32           HA       CYS  32   1.423   0.292   0.292
  260   1HB   CYS  32          2HB       CYS  32   1.502   0.809   0.809
  261   2HB   CYS  32          1HB       CYS  32   2.933   0.224   0.224
  262    H    GLY  33           H        GLY  33   1.634   3.341   3.341
  263   1HA   GLY  33          2HA       GLY  33   2.821   5.089   5.089
  264   2HA   GLY  33          1HA       GLY  33   4.073   3.895   3.895
  265    H    THR  34           H        THR  34   2.347   5.281   5.281
  266    HA   THR  34           HA       THR  34   5.058   5.628   5.628
  267    HB   THR  34           HB       THR  34   3.026   5.878   5.878
  268    HG1  THR  34          1HG       THR  34   2.494   3.992   3.992
  269   1HG2  THR  34          3HG2      THR  34   4.459   3.307   3.307
  270   2HG2  THR  34          2HG2      THR  34   3.800   3.583   3.583
  271   3HG2  THR  34          1HG2      THR  34   5.202   4.490   4.490
  272    H    CYS  35           HN       CYS  35   1.809   7.256   7.256
  273    HA   CYS  35           HA       CYS  35   3.040   9.755   9.755
  274   1HB   CYS  35          2HB       CYS  35   1.858  10.648  10.648
  275   2HB   CYS  35          1HB       CYS  35   3.263   9.765   9.765

  Start of MODEL    8
    1   1H    ARG   1          2H        ARG   1  -1.068  16.498  16.498
    2   2H    ARG   1          1H        ARG   1  -0.136  17.915  17.915
    3   3H    ARG   1          3H        ARG   1   0.626  16.412  16.412
    4    HA   ARG   1           HA       ARG   1   0.869  16.249  16.249
    5   1HB   ARG   1          2HB       ARG   1   0.107  18.143  18.143
    6   2HB   ARG   1          1HB       ARG   1   0.934  18.752  18.752
    7   1HG   ARG   1          2HG       ARG   1  -1.323  19.244  19.244
    8   2HG   ARG   1          1HG       ARG   1  -2.124  18.578  18.578
    9   1HD   ARG   1          2HD       ARG   1  -1.037  20.349  20.349
   10   2HD   ARG   1          1HD       ARG   1  -0.318  21.044  21.044
   11    HE   ARG   1           HE       ARG   1  -3.294  20.825  20.825
   12   1HH1  ARG   1          1HH1      ARG   1  -2.841  21.451  21.451
   13   2HH1  ARG   1          2HH1      ARG   1  -2.675  23.161  23.161
   14   1HH2  ARG   1          1HH2      ARG   1  -2.019  23.338  23.338
   15   2HH2  ARG   1          2HH2      ARG   1  -2.169  24.321  24.321
   16    H    SER   2           H        SER   2  -1.292  14.666  14.666
   17    HA   SER   2           HA       SER   2  -2.797  14.124  14.124
   18   1HB   SER   2          2HB       SER   2  -4.283  14.769  14.769
   19   2HB   SER   2          1HB       SER   2  -5.037  14.435  14.435
   20    HG   SER   2           HG       SER   2  -3.507  16.356  16.356
   21    H    CYS   3           H        CYS   3  -3.740  12.059  12.059
   22    HA   CYS   3           HA       CYS   3  -3.683  10.393  10.393
   23   1HB   CYS   3          2HB       CYS   3  -1.702   9.027   9.027
   24   2HB   CYS   3          1HB       CYS   3  -1.158  10.669  10.669
   25    H    ILE   4           H        ILE   4  -4.636   8.420   8.420
   26    HA   ILE   4           HA       ILE   4  -5.265   7.868   7.868
   27    HB   ILE   4           HB       ILE   4  -7.704   7.561   7.561
   28   1HG1  ILE   4          2HG1      ILE   4  -8.205   9.163   9.163
   29   2HG1  ILE   4          1HG1      ILE   4  -6.561   8.858   8.858
   30   1HG2  ILE   4          1HG2      ILE   4  -7.008   9.558   9.558
   31   2HG2  ILE   4          3HG2      ILE   4  -6.593  10.396  10.396
   32   3HG2  ILE   4          2HG2      ILE   4  -8.259   9.961   9.961
   33   1HD1  ILE   4          1HD1      ILE   4  -8.678   6.703   6.703
   34   2HD1  ILE   4          3HD1      ILE   4  -8.087   7.299   7.299
   35   3HD1  ILE   4          2HD1      ILE   4  -7.025   6.390   6.390
   36    H    ASP   5           H        ASP   5  -6.043   5.639   5.639
   37    HA   ASP   5           HA       ASP   5  -4.640   3.838   3.838
   38   1HB   ASP   5          2HB       ASP   5  -6.677   3.102   3.102
   39   2HB   ASP   5          1HB       ASP   5  -5.376   2.108   2.108
   40    H    THR   6           H        THR   6  -5.841   2.038   2.038
   41    HA   THR   6           HA       THR   6  -8.706   2.403   2.403
   42    HB   THR   6           HB       THR   6  -7.386   3.970   3.970
   43    HG1  THR   6          1HG       THR   6  -9.067   3.513   3.513
   44   1HG2  THR   6          2HG2      THR   6  -5.395   2.441   2.441
   45   2HG2  THR   6          1HG2      THR   6  -6.452   1.341   1.341
   46   3HG2  THR   6          3HG2      THR   6  -6.140   2.950   2.950
   47    H    ILE   7           H        ILE   7  -6.763   0.646   0.646
   48    HA   ILE   7           HA       ILE   7  -7.389  -1.888  -1.888
   49    HB   ILE   7           HB       ILE   7  -5.033  -1.242  -1.242
   50   1HG1  ILE   7          2HG1      ILE   7  -3.801  -3.088  -3.088
   51   2HG1  ILE   7          1HG1      ILE   7  -5.187  -3.503  -3.503
   52   1HG2  ILE   7          2HG2      ILE   7  -4.847   0.122   0.122
   53   2HG2  ILE   7          1HG2      ILE   7  -4.852  -1.367  -1.367
   54   3HG2  ILE   7          3HG2      ILE   7  -3.539  -1.021  -1.021
   55   1HD1  ILE   7          2HD1      ILE   7  -6.487  -3.921  -3.921
   56   2HD1  ILE   7          1HD1      ILE   7  -5.036  -3.528  -3.528
   57   3HD1  ILE   7          3HD1      ILE   7  -5.085  -4.954  -4.954
   58    HA   PRO   8           HA       PRO   8  -8.773  -3.456  -3.456
   59   1HB   PRO   8          2HB       PRO   8  -7.978  -6.067  -6.067
   60   2HB   PRO   8          1HB       PRO   8  -9.579  -5.424  -5.424
   61   1HG   PRO   8          2HG       PRO   8  -7.053  -5.361  -5.361
   62   2HG   PRO   8          1HG       PRO   8  -8.642  -6.035  -6.035
   63   1HD   PRO   8          2HD       PRO   8  -8.318  -3.598  -3.598
   64   2HD   PRO   8          1HD       PRO   8  -9.694  -3.834  -3.834
   65    H    LYS   9           H        LYS   9  -7.417  -2.672  -2.672
   66    HA   LYS   9           HA       LYS   9  -4.617  -2.590  -2.590
   67   1HB   LYS   9          2HB       LYS   9  -6.015  -1.563  -1.563
   68   2HB   LYS   9          1HB       LYS   9  -6.464  -3.111  -3.111
   69   1HG   LYS   9          2HG       LYS   9  -3.510  -2.582  -2.582
   70   2HG   LYS   9          1HG       LYS   9  -4.421  -1.694  -1.694
   71   1HD   LYS   9          2HD       LYS   9  -4.969  -3.625  -3.625
   72   2HD   LYS   9          1HD       LYS   9  -4.818  -4.685  -4.685
   73   1HE   LYS   9          2HE       LYS   9  -2.908  -4.886  -4.886
   74   2HE   LYS   9          1HE       LYS   9  -2.431  -4.624  -4.624
   75   1HZ   LYS   9          2HZ       LYS   9  -2.759  -2.087  -2.087
   76   2HZ   LYS   9          1HZ       LYS   9  -1.886  -2.979  -2.979
   77   3HZ   LYS   9          3HZ       LYS   9  -1.336  -2.848  -2.848
   78    H    SER  10           H        SER  10  -6.783  -5.064  -5.064
   79    HA   SER  10           HA       SER  10  -5.400  -7.167  -7.167
   80   1HB   SER  10          2HB       SER  10  -7.827  -7.353  -7.353
   81   2HB   SER  10          1HB       SER  10  -7.337  -7.461  -7.461
   82    HG   SER  10           HG       SER  10  -7.554  -9.490  -9.490
   83    H    ARG  11           H        ARG  11  -5.170  -6.098  -6.098
   84    HA   ARG  11           HA       ARG  11  -3.318  -8.221  -8.221
   85   1HB   ARG  11          2HB       ARG  11  -5.012  -6.529  -6.529
   86   2HB   ARG  11          1HB       ARG  11  -3.505  -5.664  -5.664
   87   1HG   ARG  11          2HG       ARG  11  -3.643  -7.211  -7.211
   88   2HG   ARG  11          1HG       ARG  11  -2.315  -7.631  -7.631
   89   1HD   ARG  11          2HD       ARG  11  -4.100  -9.335  -9.335
   90   2HD   ARG  11          1HD       ARG  11  -4.966  -9.027  -9.027
   91    HE   ARG  11           HE       ARG  11  -2.078  -9.887  -9.887
   92   1HH1  ARG  11          1HH2      ARG  11  -2.763  -9.725  -9.725
   93   2HH1  ARG  11          2HH2      ARG  11  -3.666 -11.117 -11.117
   94   1HH2  ARG  11          2HH1      ARG  11  -4.318 -11.844 -11.844
   95   2HH2  ARG  11          1HH1      ARG  11  -4.628 -12.467 -12.467
   96    H    CYS  12           H        CYS  12  -3.377  -5.036  -5.036
   97    HA   CYS  12           HA       CYS  12  -0.503  -4.581  -4.581
   98   1HB   CYS  12          2HB       CYS  12  -2.615  -2.988  -2.988
   99   2HB   CYS  12          1HB       CYS  12  -1.124  -2.405  -2.405
  100    H    THR  13           H        THR  13  -1.000  -6.776  -6.776
  101    HA   THR  13           HA       THR  13  -0.856  -6.391  -6.391
  102    HB   THR  13           HB       THR  13  -1.811  -8.620  -8.620
  103    HG1  THR  13          1HG       THR  13  -0.033  -9.913  -9.913
  104   1HG2  THR  13          1HG2      THR  13   0.476  -8.947  -8.947
  105   2HG2  THR  13          3HG2      THR  13  -0.771 -10.142 -10.142
  106   3HG2  THR  13          2HG2      THR  13  -1.193  -8.654  -8.654
  107    H    ALA  14           H        ALA  14   1.057  -6.530  -6.530
  108    HA   ALA  14           HA       ALA  14   3.260  -5.155  -5.155
  109   1HB   ALA  14          3HB       ALA  14   2.955  -5.956  -5.956
  110   2HB   ALA  14          2HB       ALA  14   3.317  -7.598  -7.598
  111   3HB   ALA  14          1HB       ALA  14   4.554  -6.360  -6.360
  112    H    PHE  15           H        PHE  15   2.551  -8.420  -8.420
  113    HA   PHE  15           HA       PHE  15   4.833  -9.639  -9.639
  114   1HB   PHE  15          2HB       PHE  15   2.107 -10.212 -10.212
  115   2HB   PHE  15          1HB       PHE  15   3.421 -11.313 -11.313
  116    HD1  PHE  15          2HD       PHE  15   3.526  -9.987  -9.987
  117    HD2  PHE  15          1HD       PHE  15   0.705 -12.024 -12.024
  118    HE1  PHE  15          2HE       PHE  15   2.357 -10.800 -10.800
  119    HE2  PHE  15          1HE       PHE  15  -0.454 -12.833 -12.833
  120    HZ   PHE  15           HZ       PHE  15   0.364 -12.222 -12.222
  121    H    GLN  16           H        GLN  16   2.291  -8.027  -8.027
  122    HA   GLN  16           HA       GLN  16   3.761  -7.996  -7.996
  123   1HB   GLN  16          2HB       GLN  16   1.042  -6.811  -6.811
  124   2HB   GLN  16          1HB       GLN  16   1.569  -7.341  -7.341
  125   1HG   GLN  16          2HG       GLN  16   1.826  -9.616  -9.616
  126   2HG   GLN  16          1HG       GLN  16   0.253  -8.885  -8.885
  127   1HE2  GLN  16          2HE2      GLN  16   1.250 -10.806 -10.806
  128   2HE2  GLN  16          1HE2      GLN  16   2.467 -10.465 -10.465
  129    H    CYS  17           H        CYS  17   2.874  -6.015  -6.015
  130    HA   CYS  17           HA       CYS  17   3.349  -3.374  -3.374
  131   1HB   CYS  17          2HB       CYS  17   2.380  -4.073  -4.073
  132   2HB   CYS  17          1HB       CYS  17   4.065  -4.017  -4.017
  133    H    LYS  18           H        LYS  18   5.269  -5.964  -5.964
  134    HA   LYS  18           HA       LYS  18   7.774  -4.395  -4.395
  135   1HB   LYS  18          2HB       LYS  18   7.617  -5.800  -5.800
  136   2HB   LYS  18          1HB       LYS  18   7.310  -7.225  -7.225
  137   1HG   LYS  18          2HG       LYS  18   9.536  -7.140  -7.140
  138   2HG   LYS  18          1HG       LYS  18   9.893  -5.605  -5.605
  139   1HD   LYS  18          2HD       LYS  18   9.275  -8.134  -8.134
  140   2HD   LYS  18          1HD       LYS  18  10.897  -7.793  -7.793
  141   1HE   LYS  18          2HE       LYS  18   9.190  -5.957  -5.957
  142   2HE   LYS  18          1HE       LYS  18  10.476  -6.996  -6.996
  143   1HZ   LYS  18          2HZ       LYS  18  11.536  -5.487  -5.487
  144   2HZ   LYS  18          1HZ       LYS  18  10.699  -4.408  -4.408
  145   3HZ   LYS  18          3HZ       LYS  18  11.931  -5.384  -5.384
  146    H    HIS  19           H        HIS  19   6.296  -7.511  -7.511
  147    HA   HIS  19           HA       HIS  19   8.190  -7.442  -7.442
  148   1HB   HIS  19          2HB       HIS  19   6.522  -9.735  -9.735
  149   2HB   HIS  19          1HB       HIS  19   7.664  -9.867  -9.867
  150    HD1  HIS  19          1HD       HIS  19  10.180  -9.422  -9.422
  151    HD2  HIS  19          2HD       HIS  19   7.627  -9.709  -9.709
  152    HE1  HIS  19          1HE       HIS  19  11.528  -9.745  -9.745
  153    H    SER  20           H        SER  20   5.658  -5.839  -5.839
  154    HA   SER  20           HA       SER  20   4.777  -6.670  -6.670
  155   1HB   SER  20          2HB       SER  20   2.783  -6.215  -6.215
  156   2HB   SER  20          1HB       SER  20   2.423  -6.679  -6.679
  157    HG   SER  20           HG       SER  20   4.204  -8.414  -8.414
  158    H    MET  21           H        MET  21   6.104  -4.549  -4.549
  159    HA   MET  21           HA       MET  21   4.934  -2.095  -2.095
  160   1HB   MET  21          2HB       MET  21   6.712  -2.675  -2.675
  161   2HB   MET  21          1HB       MET  21   6.126  -1.061  -1.061
  162   1HG   MET  21          2HG       MET  21   7.130  -1.766  -1.766
  163   2HG   MET  21          1HG       MET  21   8.170  -2.674  -2.674
  164   1HE   MET  21          3HE       MET  21   6.349   0.648   0.648
  165   2HE   MET  21          2HE       MET  21   7.306   0.875   0.875
  166   3HE   MET  21          1HE       MET  21   7.607   1.850   1.850
  167   1HN   DNP  22           HN       DAP  22   3.912  -4.200  -4.200
  168    HA   DNP  22           HA       DAP  22   2.535  -2.195  -2.195
  169   1HB   DNP  22          1HB       DAP  22   1.053  -4.001  -4.001
  170   2HB   DNP  22          2HB       DAP  22   1.597  -5.065  -5.065
  171   1HG   DNP  22          1HG       DAP  22   2.758  -4.720  -4.720
  172   2HG   DNP  22          2HG       DAP  22   3.353  -5.661  -5.661
  173   3HG   DNP  22          3HG       DAP  22   3.861  -4.047  -4.047
  174    H    TYR  23           H        TYR  23   1.821  -3.314  -3.314
  175    HA   TYR  23           HA       TYR  23  -0.847  -1.964  -1.964
  176   1HB   TYR  23          2HB       TYR  23  -0.046  -3.541  -3.541
  177   2HB   TYR  23          1HB       TYR  23  -1.632  -3.129  -3.129
  178    HD1  TYR  23          2HD       TYR  23  -2.405  -4.215  -4.215
  179    HD2  TYR  23          1HD       TYR  23   0.686  -5.759  -5.759
  180    HE1  TYR  23          2HE       TYR  23  -2.722  -6.434  -6.434
  181    HE2  TYR  23          1HE       TYR  23   0.383  -7.967  -7.967
  182    HH   TYR  23           HH       TYR  23  -0.490  -8.892  -8.892
  183    H    ARG  24           H        ARG  24   1.707  -2.237  -2.237
  184    HA   ARG  24           HA       ARG  24   1.401  -0.050  -0.050
  185   1HB   ARG  24          2HB       ARG  24   2.837  -1.839  -1.839
  186   2HB   ARG  24          1HB       ARG  24   3.887  -1.319  -1.319
  187   1HG   ARG  24          2HG       ARG  24   4.473   0.577   0.577
  188   2HG   ARG  24          1HG       ARG  24   3.055   0.681   0.681
  189   1HD   ARG  24          2HD       ARG  24   4.242  -0.160  -0.160
  190   2HD   ARG  24          1HD       ARG  24   4.315  -1.641  -1.641
  191    HE   ARG  24           HE       ARG  24   6.467  -0.832  -0.832
  192   1HH1  ARG  24          1HH2      ARG  24   6.397   1.914   1.914
  193   2HH1  ARG  24          2HH2      ARG  24   7.253   2.119   2.119
  194   1HH2  ARG  24          2HH1      ARG  24   6.901  -1.459  -1.459
  195   2HH2  ARG  24          1HH1      ARG  24   7.614  -0.084  -0.084
  196    H    LEU  25           H        LEU  25   2.816  -0.052  -0.052
  197    HA   LEU  25           HA       LEU  25   4.200   2.402   2.402
  198   1HB   LEU  25          2HB       LEU  25   4.362   0.703   0.703
  199   2HB   LEU  25          1HB       LEU  25   2.803   0.941   0.941
  200    HG   LEU  25           HG       LEU  25   3.462   3.376   3.376
  201   1HD1  LEU  25          1HD1      LEU  25   5.432   3.575   3.575
  202   2HD1  LEU  25          3HD1      LEU  25   6.266   2.338   2.338
  203   3HD1  LEU  25          2HD1      LEU  25   5.857   3.879   3.879
  204   1HD2  LEU  25          1HD2      LEU  25   5.018   1.111   1.111
  205   2HD2  LEU  25          3HD2      LEU  25   3.358   1.569   1.569
  206   3HD2  LEU  25          2HD2      LEU  25   4.670   2.673   2.673
  207    H    SER  26           H        SER  26   1.158   1.873   1.873
  208    HA   SER  26           HA       SER  26   0.387   4.638   4.638
  209   1HB   SER  26          2HB       SER  26   1.309   4.728   4.728
  210   2HB   SER  26          1HB       SER  26  -0.002   3.646   3.646
  211    HG   SER  26           HG       SER  26  -1.316   5.272   5.272
  212    H    PHE  27           H        PHE  27  -0.370   1.450   1.450
  213    HA   PHE  27           HA       PHE  27  -3.308   2.073   2.073
  214   1HB   PHE  27          2HB       PHE  27  -2.219  -0.629  -0.629
  215   2HB   PHE  27          1HB       PHE  27  -3.809  -0.171  -0.171
  216    HD1  PHE  27          2HD       PHE  27  -1.638   1.531   1.531
  217    HD2  PHE  27          1HD       PHE  27  -3.164  -2.335  -2.335
  218    HE1  PHE  27          2HE       PHE  27  -1.166   0.769   0.769
  219    HE2  PHE  27          1HE       PHE  27  -2.688  -3.089  -3.089
  220    HZ   PHE  27           HZ       PHE  27  -1.683  -1.537  -1.537
  221    H    CYS  28           H        CYS  28  -1.009   1.013   1.013
  222    HA   CYS  28           HA       CYS  28  -3.138   1.488   1.488
  223   1HB   CYS  28          2HB       CYS  28  -0.656   0.177   0.177
  224   2HB   CYS  28          1HB       CYS  28  -2.339  -0.278  -0.278
  225    H    ARG  29           H        ARG  29  -1.986   3.590   3.590
  226    HA   ARG  29           HA       ARG  29   0.270   4.868   4.868
  227   1HB   ARG  29          2HB       ARG  29  -2.602   5.620   5.620
  228   2HB   ARG  29          1HB       ARG  29  -1.506   6.890   6.890
  229   1HG   ARG  29          2HG       ARG  29  -0.171   6.575   6.575
  230   2HG   ARG  29          1HG       ARG  29  -0.838   4.982   4.982
  231   1HD   ARG  29          2HD       ARG  29  -2.857   5.728   5.728
  232   2HD   ARG  29          1HD       ARG  29  -2.735   7.327   7.327
  233    HE   ARG  29           HE       ARG  29  -0.988   6.326   6.326
  234   1HH1  ARG  29          1HH2      ARG  29  -0.098   8.899   8.899
  235   2HH1  ARG  29          2HH2      ARG  29  -1.049   9.980   9.980
  236   1HH2  ARG  29          2HH1      ARG  29  -3.499   7.449   7.449
  237   2HH2  ARG  29          1HH1      ARG  29  -3.173   9.099   9.099
  238    H    LYS  30           H        LYS  30  -2.574   5.181   5.181
  239    HA   LYS  30           HA       LYS  30  -0.814   6.117   6.117
  240   1HB   LYS  30          2HB       LYS  30  -3.849   5.751   5.751
  241   2HB   LYS  30          1HB       LYS  30  -2.877   6.743   6.743
  242   1HG   LYS  30          2HG       LYS  30  -3.213   7.181   7.181
  243   2HG   LYS  30          1HG       LYS  30  -3.996   8.115   8.115
  244   1HD   LYS  30          2HD       LYS  30  -1.588   8.737   8.737
  245   2HD   LYS  30          1HD       LYS  30  -0.968   7.898   7.898
  246   1HE   LYS  30          2HE       LYS  30  -1.089  10.303  10.303
  247   2HE   LYS  30          1HE       LYS  30  -2.168   9.322   9.322
  248   1HZ   LYS  30          2HZ       LYS  30  -3.615  10.014  10.014
  249   2HZ   LYS  30          1HZ       LYS  30  -2.863  11.431  11.431
  250   3HZ   LYS  30          3HZ       LYS  30  -3.804  10.486  10.486
  251    H    THR  31           H        THR  31  -3.047   3.683   3.683
  252    HA   THR  31           HA       THR  31  -3.226   2.090   2.090
  253    HB   THR  31           HB       THR  31  -3.194   1.494   1.494
  254    HG1  THR  31          1HG       THR  31  -4.990   2.419   2.419
  255   1HG2  THR  31          2HG2      THR  31  -3.827  -0.449  -0.449
  256   2HG2  THR  31          1HG2      THR  31  -3.983  -0.707  -0.707
  257   3HG2  THR  31          3HG2      THR  31  -2.385  -0.637  -0.637
  258    H    CYS  32           H        CYS  32  -0.381   2.449   2.449
  259    HA   CYS  32           HA       CYS  32   0.990   0.400   0.400
  260   1HB   CYS  32          2HB       CYS  32   1.163   1.068   1.068
  261   2HB   CYS  32          1HB       CYS  32   2.693   0.959   0.959
  262    H    GLY  33           H        GLY  33   1.267   3.515   3.515
  263   1HA   GLY  33          2HA       GLY  33   2.032   5.429   5.429
  264   2HA   GLY  33          1HA       GLY  33   3.182   4.330   4.330
  265    H    THR  34           H        THR  34   2.264   5.146   5.146
  266    HA   THR  34           HA       THR  34   5.142   5.421   5.421
  267    HB   THR  34           HB       THR  34   3.774   5.395   5.395
  268    HG1  THR  34          1HG       THR  34   2.282   3.528   3.528
  269   1HG2  THR  34          3HG2      THR  34   5.624   3.783   3.783
  270   2HG2  THR  34          2HG2      THR  34   4.370   2.919   2.919
  271   3HG2  THR  34          1HG2      THR  34   4.364   2.959   2.959
  272    H    CYS  35           HN       CYS  35   2.043   7.294   7.294
  273    HA   CYS  35           HA       CYS  35   3.769   9.616   9.616
  274   1HB   CYS  35          2HB       CYS  35   1.852  10.297  10.297
  275   2HB   CYS  35          1HB       CYS  35   2.750   8.970   8.970

  Start of MODEL    9
    1   1H    ARG   1          1H        ARG   1   1.016  15.420  15.420
    2   2H    ARG   1          3H        ARG   1   2.223  15.483  15.483
    3   3H    ARG   1          2H        ARG   1   1.598  16.925  16.925
    4    HA   ARG   1           HA       ARG   1  -0.023  16.984  16.984
    5   1HB   ARG   1          2HB       ARG   1   1.825  15.667  15.667
    6   2HB   ARG   1          1HB       ARG   1   0.954  14.222  14.222
    7   1HG   ARG   1          2HG       ARG   1   0.420  14.819  14.819
    8   2HG   ARG   1          1HG       ARG   1  -1.039  15.032  15.032
    9   1HD   ARG   1          2HD       ARG   1   0.816  17.434  17.434
   10   2HD   ARG   1          1HD       ARG   1  -0.155  16.842  16.842
   11    HE   ARG   1           HE       ARG   1  -1.453  17.759  17.759
   12   1HH1  ARG   1          1HH1      ARG   1  -3.497  16.833  16.833
   13   2HH1  ARG   1          2HH1      ARG   1  -3.920  18.065  18.065
   14   1HH2  ARG   1          1HH2      ARG   1  -0.802  19.676  19.676
   15   2HH2  ARG   1          2HH2      ARG   1  -2.290  19.785  19.785
   16    H    SER   2           H        SER   2  -2.006  15.253  15.253
   17    HA   SER   2           HA       SER   2  -2.863  13.961  13.961
   18   1HB   SER   2          2HB       SER   2  -4.739  14.849  14.849
   19   2HB   SER   2          1HB       SER   2  -5.088  14.645  14.645
   20    HG   SER   2           HG       SER   2  -4.490  16.669  16.669
   21    H    CYS   3           H        CYS   3  -2.767  11.739  11.739
   22    HA   CYS   3           HA       CYS   3  -3.456  10.456  10.456
   23   1HB   CYS   3          2HB       CYS   3  -1.610   8.932   8.932
   24   2HB   CYS   3          1HB       CYS   3  -0.988  10.554  10.554
   25    H    ILE   4           H        ILE   4  -4.840   8.842   8.842
   26    HA   ILE   4           HA       ILE   4  -5.529   8.027   8.027
   27    HB   ILE   4           HB       ILE   4  -7.905   7.876   7.876
   28   1HG1  ILE   4          2HG1      ILE   4  -8.377   9.244   9.244
   29   2HG1  ILE   4          1HG1      ILE   4  -6.738   8.839   8.839
   30   1HG2  ILE   4          1HG2      ILE   4  -7.126   9.944   9.944
   31   2HG2  ILE   4          3HG2      ILE   4  -6.605  10.588  10.588
   32   3HG2  ILE   4          2HG2      ILE   4  -8.314  10.327  10.327
   33   1HD1  ILE   4          1HD1      ILE   4  -8.974   6.862   6.862
   34   2HD1  ILE   4          3HD1      ILE   4  -8.379   7.203   7.203
   35   3HD1  ILE   4          2HD1      ILE   4  -7.374   6.352   6.352
   36    H    ASP   5           H        ASP   5  -6.122   5.954   5.954
   37    HA   ASP   5           HA       ASP   5  -4.882   3.978   3.978
   38   1HB   ASP   5          2HB       ASP   5  -6.848   3.287   3.287
   39   2HB   ASP   5          1HB       ASP   5  -5.535   2.336   2.336
   40    H    THR   6           H        THR   6  -5.948   2.366   2.366
   41    HA   THR   6           HA       THR   6  -8.903   2.429   2.429
   42    HB   THR   6           HB       THR   6  -8.060   4.037   4.037
   43    HG1  THR   6          1HG       THR   6  -8.798   1.482   1.482
   44   1HG2  THR   6          1HG2      THR   6  -6.338   1.744   1.744
   45   2HG2  THR   6          3HG2      THR   6  -6.499   3.345   3.345
   46   3HG2  THR   6          2HG2      THR   6  -5.687   3.147   3.147
   47    H    ILE   7           H        ILE   7  -6.995   0.831   0.831
   48    HA   ILE   7           HA       ILE   7  -7.430  -1.765  -1.765
   49    HB   ILE   7           HB       ILE   7  -5.073  -0.736  -0.736
   50   1HG1  ILE   7          2HG1      ILE   7  -3.748  -2.717  -2.717
   51   2HG1  ILE   7          1HG1      ILE   7  -5.232  -3.375  -3.375
   52   1HG2  ILE   7          2HG2      ILE   7  -5.028   0.312   0.312
   53   2HG2  ILE   7          1HG2      ILE   7  -4.974  -1.276  -1.276
   54   3HG2  ILE   7          3HG2      ILE   7  -3.674  -0.735  -0.735
   55   1HD1  ILE   7          1HD1      ILE   7  -6.180  -3.344  -3.344
   56   2HD1  ILE   7          3HD1      ILE   7  -4.640  -2.723  -2.723
   57   3HD1  ILE   7          2HD1      ILE   7  -4.734  -4.333  -4.333
   58    HA   PRO   8           HA       PRO   8  -8.317  -2.864  -2.864
   59   1HB   PRO   8          2HB       PRO   8  -8.252  -5.542  -5.542
   60   2HB   PRO   8          1HB       PRO   8  -9.573  -4.699  -4.699
   61   1HG   PRO   8          2HG       PRO   8  -6.904  -5.610  -5.610
   62   2HG   PRO   8          1HG       PRO   8  -8.521  -6.078  -6.078
   63   1HD   PRO   8          2HD       PRO   8  -7.329  -3.985  -3.985
   64   2HD   PRO   8          1HD       PRO   8  -9.047  -3.859  -3.859
   65    H    LYS   9           H        LYS   9  -6.924  -2.704  -2.704
   66    HA   LYS   9           HA       LYS   9  -4.124  -2.676  -2.676
   67   1HB   LYS   9          2HB       LYS   9  -5.443  -1.694  -1.694
   68   2HB   LYS   9          1HB       LYS   9  -5.706  -3.323  -3.323
   69   1HG   LYS   9          2HG       LYS   9  -2.868  -2.581  -2.581
   70   2HG   LYS   9          1HG       LYS   9  -3.605  -1.828  -1.828
   71   1HD   LYS   9          2HD       LYS   9  -3.964  -4.061  -4.061
   72   2HD   LYS   9          1HD       LYS   9  -3.430  -4.845  -4.845
   73   1HE   LYS   9          2HE       LYS   9  -1.526  -4.764  -4.764
   74   2HE   LYS   9          1HE       LYS   9  -1.189  -3.766  -3.766
   75   1HZ   LYS   9          1HZ       LYS   9  -2.522  -2.157  -2.157
   76   2HZ   LYS   9          3HZ       LYS   9  -1.262  -2.953  -2.953
   77   3HZ   LYS   9          2HZ       LYS   9  -0.937  -2.026  -2.026
   78    H    SER  10           H        SER  10  -6.409  -5.011  -5.011
   79    HA   SER  10           HA       SER  10  -5.134  -7.156  -7.156
   80   1HB   SER  10          2HB       SER  10  -7.048  -7.622  -7.622
   81   2HB   SER  10          1HB       SER  10  -7.178  -8.283  -8.283
   82    HG   SER  10           HG       SER  10  -8.629  -6.668  -6.668
   83    H    ARG  11           H        ARG  11  -5.104  -5.938  -5.938
   84    HA   ARG  11           HA       ARG  11  -3.377  -8.054  -8.054
   85   1HB   ARG  11          2HB       ARG  11  -5.109  -6.288  -6.288
   86   2HB   ARG  11          1HB       ARG  11  -3.609  -5.395  -5.395
   87   1HG   ARG  11          2HG       ARG  11  -3.857  -6.708  -6.708
   88   2HG   ARG  11          1HG       ARG  11  -2.542  -7.363  -7.363
   89   1HD   ARG  11          2HD       ARG  11  -4.203  -9.110  -9.110
   90   2HD   ARG  11          1HD       ARG  11  -5.374  -8.517  -8.517
   91    HE   ARG  11           HE       ARG  11  -2.665  -9.489  -9.489
   92   1HH1  ARG  11          2HH1      ARG  11  -4.825  -8.458  -8.458
   93   2HH1  ARG  11          1HH1      ARG  11  -5.440  -9.896  -9.896
   94   1HH2  ARG  11          1HH2      ARG  11  -3.905 -11.840 -11.840
   95   2HH2  ARG  11          2HH2      ARG  11  -4.857 -12.008 -12.008
   96    H    CYS  12           H        CYS  12  -3.079  -4.815  -4.815
   97    HA   CYS  12           HA       CYS  12  -0.125  -4.883  -4.883
   98   1HB   CYS  12          2HB       CYS  12  -2.076  -2.722  -2.722
   99   2HB   CYS  12          1HB       CYS  12  -0.749  -2.549  -2.549
  100    H    THR  13           H        THR  13  -0.925  -6.847  -6.847
  101    HA   THR  13           HA       THR  13  -0.921  -6.397  -6.397
  102    HB   THR  13           HB       THR  13  -1.968  -8.469  -8.469
  103    HG1  THR  13          1HG       THR  13  -0.118  -9.952  -9.952
  104   1HG2  THR  13          2HG2      THR  13   0.693  -9.200  -9.200
  105   2HG2  THR  13          1HG2      THR  13  -0.748 -10.213 -10.213
  106   3HG2  THR  13          3HG2      THR  13  -0.801  -8.734  -8.734
  107    H    ALA  14           H        ALA  14   0.933  -7.641  -7.641
  108    HA   ALA  14           HA       ALA  14   3.289  -6.082  -6.082
  109   1HB   ALA  14          3HB       ALA  14   2.808  -6.815  -6.815
  110   2HB   ALA  14          2HB       ALA  14   3.057  -8.493  -8.493
  111   3HB   ALA  14          1HB       ALA  14   4.393  -7.359  -7.359
  112    H    PHE  15           H        PHE  15   2.058  -8.973  -8.973
  113    HA   PHE  15           HA       PHE  15   4.634 -10.125 -10.125
  114   1HB   PHE  15          2HB       PHE  15   2.142 -11.234 -11.234
  115   2HB   PHE  15          1HB       PHE  15   3.464 -12.052 -12.052
  116    HD1  PHE  15          1HD       PHE  15   3.388 -10.744 -10.744
  117    HD2  PHE  15          2HD       PHE  15   0.244 -12.172 -12.172
  118    HE1  PHE  15          1HE       PHE  15   1.972 -11.099 -11.099
  119    HE2  PHE  15          2HE       PHE  15  -1.165 -12.523 -12.523
  120    HZ   PHE  15           HZ       PHE  15  -0.306 -11.980 -11.980
  121    H    GLN  16           H        GLN  16   2.449  -7.856  -7.856
  122    HA   GLN  16           HA       GLN  16   3.698  -8.124  -8.124
  123   1HB   GLN  16          2HB       GLN  16   1.015  -6.814  -6.814
  124   2HB   GLN  16          1HB       GLN  16   1.669  -7.423  -7.423
  125   1HG   GLN  16          2HG       GLN  16   1.501  -9.617  -9.617
  126   2HG   GLN  16          1HG       GLN  16   0.004  -8.818  -8.818
  127   1HE2  GLN  16          2HE2      GLN  16   1.781 -10.874 -10.874
  128   2HE2  GLN  16          1HE2      GLN  16   2.742 -10.290 -10.290
  129    H    CYS  17           H        CYS  17   2.396  -5.863  -5.863
  130    HA   CYS  17           HA       CYS  17   3.084  -3.416  -3.416
  131   1HB   CYS  17          2HB       CYS  17   1.896  -3.798  -3.798
  132   2HB   CYS  17          1HB       CYS  17   3.449  -4.029  -4.029
  133    H    LYS  18           H        LYS  18   4.971  -5.773  -5.773
  134    HA   LYS  18           HA       LYS  18   7.394  -4.105  -4.105
  135   1HB   LYS  18          2HB       LYS  18   6.841  -5.407  -5.407
  136   2HB   LYS  18          1HB       LYS  18   7.017  -6.890  -6.890
  137   1HG   LYS  18          2HG       LYS  18   9.067  -6.493  -6.493
  138   2HG   LYS  18          1HG       LYS  18   9.413  -6.328  -6.328
  139   1HD   LYS  18          2HD       LYS  18   9.120  -3.833  -3.833
  140   2HD   LYS  18          1HD       LYS  18   8.831  -4.035  -4.035
  141   1HE   LYS  18          2HE       LYS  18  11.120  -4.944  -4.944
  142   2HE   LYS  18          1HE       LYS  18  11.373  -4.814  -4.814
  143   1HZ   LYS  18          3HZ       LYS  18  10.410  -2.339  -2.339
  144   2HZ   LYS  18          2HZ       LYS  18  11.693  -2.823  -2.823
  145   3HZ   LYS  18          1HZ       LYS  18  11.933  -2.689  -2.689
  146    H    HIS  19           H        HIS  19   5.849  -6.533  -6.533
  147    HA   HIS  19           HA       HIS  19   8.305  -7.107  -7.107
  148   1HB   HIS  19          2HB       HIS  19   6.151  -8.972  -8.972
  149   2HB   HIS  19          1HB       HIS  19   6.928  -9.315  -9.315
  150    HD1  HIS  19          1HD       HIS  19   9.513  -9.546  -9.546
  151    HD2  HIS  19          2HD       HIS  19   7.619  -9.579  -9.579
  152    HE1  HIS  19          1HE       HIS  19  11.071 -10.485 -10.485
  153    H    SER  20           H        SER  20   4.811  -6.933  -6.933
  154    HA   SER  20           HA       SER  20   4.911  -6.772  -6.772
  155   1HB   SER  20          2HB       SER  20   2.386  -6.559  -6.559
  156   2HB   SER  20          1HB       SER  20   2.688  -7.381  -7.381
  157    HG   SER  20           HG       SER  20   3.262  -9.131  -9.131
  158    H    MET  21           H        MET  21   5.970  -4.655  -4.655
  159    HA   MET  21           HA       MET  21   4.743  -2.253  -2.253
  160   1HB   MET  21          2HB       MET  21   6.443  -2.732  -2.732
  161   2HB   MET  21          1HB       MET  21   5.826  -1.147  -1.147
  162   1HG   MET  21          2HG       MET  21   6.930  -1.733  -1.733
  163   2HG   MET  21          1HG       MET  21   7.914  -2.762  -2.762
  164   1HE   MET  21          2HE       MET  21   6.192   0.560   0.560
  165   2HE   MET  21          1HE       MET  21   7.203   0.904   0.904
  166   3HE   MET  21          3HE       MET  21   7.459   1.743   1.743
  167   1HN   DNP  22           HN       DAP  22   3.733  -4.416  -4.416
  168    HA   DNP  22           HA       DAP  22   2.174  -2.652  -2.652
  169   1HB   DNP  22          1HB       DAP  22   2.382  -5.007  -5.007
  170   2HB   DNP  22          2HB       DAP  22   0.675  -4.710  -4.710
  171   1HG   DNP  22          1HG       DAP  22   0.796  -6.234  -6.234
  172   2HG   DNP  22          2HG       DAP  22   1.905  -5.265  -5.265
  173   3HG   DNP  22          3HG       DAP  22   2.455  -6.470  -6.470
  174    H    TYR  23           H        TYR  23   1.868  -3.064  -3.064
  175    HA   TYR  23           HA       TYR  23  -0.859  -1.944  -1.944
  176   1HB   TYR  23          2HB       TYR  23   0.159  -3.654  -3.654
  177   2HB   TYR  23          1HB       TYR  23  -1.509  -3.290  -3.290
  178    HD1  TYR  23          2HD       TYR  23  -1.863  -4.053  -4.053
  179    HD2  TYR  23          1HD       TYR  23   0.446  -5.913  -5.913
  180    HE1  TYR  23          2HE       TYR  23  -2.050  -6.204  -6.204
  181    HE2  TYR  23          1HE       TYR  23   0.278  -8.039  -8.039
  182    HH   TYR  23           HH       TYR  23  -0.526  -9.139  -9.139
  183    H    ARG  24           H        ARG  24   1.836  -2.406  -2.406
  184    HA   ARG  24           HA       ARG  24   1.730  -0.103  -0.103
  185   1HB   ARG  24          2HB       ARG  24   3.074  -1.711  -1.711
  186   2HB   ARG  24          1HB       ARG  24   3.770  -2.206  -2.206
  187   1HG   ARG  24          2HG       ARG  24   5.570  -1.361  -1.361
  188   2HG   ARG  24          1HG       ARG  24   4.868   0.197   0.197
  189   1HD   ARG  24          2HD       ARG  24   4.464   0.672   0.672
  190   2HD   ARG  24          1HD       ARG  24   4.376  -1.043  -1.043
  191    HE   ARG  24           HE       ARG  24   6.720  -1.203  -1.203
  192   1HH1  ARG  24          1HH2      ARG  24   7.348   1.566   1.566
  193   2HH1  ARG  24          2HH2      ARG  24   7.969   2.312   2.312
  194   1HH2  ARG  24          2HH1      ARG  24   6.547  -0.337  -0.337
  195   2HH2  ARG  24          1HH1      ARG  24   7.442   1.117   1.117
  196    H    LEU  25           H        LEU  25   2.738  -0.284  -0.284
  197    HA   LEU  25           HA       LEU  25   4.382   2.005   2.005
  198   1HB   LEU  25          2HB       LEU  25   4.200   0.351   0.351
  199   2HB   LEU  25          1HB       LEU  25   2.599   0.623   0.623
  200    HG   LEU  25           HG       LEU  25   3.330   3.019   3.019
  201   1HD1  LEU  25          3HD1      LEU  25   6.141   1.901   1.901
  202   2HD1  LEU  25          2HD1      LEU  25   5.746   3.421   3.421
  203   3HD1  LEU  25          1HD1      LEU  25   5.413   3.205   3.205
  204   1HD2  LEU  25          1HD2      LEU  25   3.126   1.123   1.123
  205   2HD2  LEU  25          3HD2      LEU  25   4.439   2.193   2.193
  206   3HD2  LEU  25          2HD2      LEU  25   4.786   0.665   0.665
  207    H    SER  26           H        SER  26   1.274   1.817   1.817
  208    HA   SER  26           HA       SER  26   0.560   4.437   4.437
  209   1HB   SER  26          2HB       SER  26   1.535   4.438   4.438
  210   2HB   SER  26          1HB       SER  26  -0.215   4.306   4.306
  211    HG   SER  26           HG       SER  26   1.165   6.423   6.423
  212    H    PHE  27           H        PHE  27  -0.287   1.508   1.508
  213    HA   PHE  27           HA       PHE  27  -3.177   2.012   2.012
  214   1HB   PHE  27          2HB       PHE  27  -2.036  -0.554  -0.554
  215   2HB   PHE  27          1HB       PHE  27  -3.544  -0.303  -0.303
  216    HD1  PHE  27          2HD       PHE  27   0.147   0.143   0.143
  217    HD2  PHE  27          1HD       PHE  27  -3.684  -0.542  -0.542
  218    HE1  PHE  27          2HE       PHE  27   1.207  -0.185  -0.185
  219    HE2  PHE  27          1HE       PHE  27  -2.594  -0.876  -0.876
  220    HZ   PHE  27           HZ       PHE  27  -0.143  -0.711  -0.711
  221    H    CYS  28           H        CYS  28  -1.117   1.174   1.174
  222    HA   CYS  28           HA       CYS  28  -3.343   1.703   1.703
  223   1HB   CYS  28          2HB       CYS  28  -0.912   0.387   0.387
  224   2HB   CYS  28          1HB       CYS  28  -2.587  -0.086  -0.086
  225    H    ARG  29           H        ARG  29  -2.041   3.732   3.732
  226    HA   ARG  29           HA       ARG  29   0.221   4.965   4.965
  227   1HB   ARG  29          2HB       ARG  29  -2.601   5.830   5.830
  228   2HB   ARG  29          1HB       ARG  29  -1.533   7.063   7.063
  229   1HG   ARG  29          2HG       ARG  29  -0.666   7.288   7.288
  230   2HG   ARG  29          1HG       ARG  29  -0.117   5.668   5.668
  231   1HD   ARG  29          2HD       ARG  29  -1.478   5.816   5.816
  232   2HD   ARG  29          1HD       ARG  29  -2.460   4.936   4.936
  233    HE   ARG  29           HE       ARG  29  -3.521   7.205   7.205
  234   1HH1  ARG  29          2HH1      ARG  29  -1.590   8.203   8.203
  235   2HH1  ARG  29          1HH1      ARG  29  -2.640   8.466   8.466
  236   1HH2  ARG  29          1HH2      ARG  29  -5.164   6.587   6.587
  237   2HH2  ARG  29          2HH2      ARG  29  -4.946   7.384   7.384
  238    H    LYS  30           H        LYS  30  -2.591   5.371   5.371
  239    HA   LYS  30           HA       LYS  30  -0.885   6.289   6.289
  240   1HB   LYS  30          2HB       LYS  30  -3.905   5.831   5.831
  241   2HB   LYS  30          1HB       LYS  30  -3.021   6.777   6.777
  242   1HG   LYS  30          2HG       LYS  30  -3.110   7.395   7.395
  243   2HG   LYS  30          1HG       LYS  30  -4.152   8.176   8.176
  244   1HD   LYS  30          2HD       LYS  30  -1.524   8.529   8.529
  245   2HD   LYS  30          1HD       LYS  30  -1.224   8.523   8.523
  246   1HE   LYS  30          2HE       LYS  30  -1.664  10.801  10.801
  247   2HE   LYS  30          1HE       LYS  30  -2.826  10.307  10.307
  248   1HZ   LYS  30          2HZ       LYS  30  -3.688   9.391   9.391
  249   2HZ   LYS  30          1HZ       LYS  30  -3.382  11.044  11.044
  250   3HZ   LYS  30          3HZ       LYS  30  -4.473  10.497  10.497
  251    H    THR  31           H        THR  31  -3.038   3.787   3.787
  252    HA   THR  31           HA       THR  31  -3.245   2.177   2.177
  253    HB   THR  31           HB       THR  31  -2.948   1.492   1.492
  254    HG1  THR  31          1HG       THR  31  -4.825   2.584   2.584
  255   1HG2  THR  31          2HG2      THR  31  -3.876  -0.333  -0.333
  256   2HG2  THR  31          1HG2      THR  31  -3.937  -0.691  -0.691
  257   3HG2  THR  31          3HG2      THR  31  -2.385  -0.601  -0.601
  258    H    CYS  32           H        CYS  32  -0.378   2.619   2.619
  259    HA   CYS  32           HA       CYS  32   1.060   0.666   0.666
  260   1HB   CYS  32          2HB       CYS  32   1.360   1.483   1.483
  261   2HB   CYS  32          1HB       CYS  32   2.824   1.144   1.144
  262    H    GLY  33           H        GLY  33   1.259   3.648   3.648
  263   1HA   GLY  33          2HA       GLY  33   1.732   5.766   5.766
  264   2HA   GLY  33          1HA       GLY  33   2.778   4.867   4.867
  265    H    THR  34           H        THR  34   2.362   5.122   5.122
  266    HA   THR  34           HA       THR  34   5.327   5.334   5.334
  267    HB   THR  34           HB       THR  34   4.443   4.941   4.941
  268    HG1  THR  34          1HG       THR  34   2.726   3.386   3.386
  269   1HG2  THR  34          2HG2      THR  34   5.977   3.409   3.409
  270   2HG2  THR  34          1HG2      THR  34   4.540   2.766   2.766
  271   3HG2  THR  34          3HG2      THR  34   4.849   2.463   2.463
  272    H    CYS  35           HN       CYS  35   2.362   7.182   7.182
  273    HA   CYS  35           HA       CYS  35   4.077   9.423   9.423
  274   1HB   CYS  35          2HB       CYS  35   2.101  10.003  10.003
  275   2HB   CYS  35          1HB       CYS  35   2.869   8.554   8.554

  Start of MODEL   10
    1   1H    ARG   1          1H        ARG   1  -1.379  17.058  17.058
    2   2H    ARG   1          3H        ARG   1  -0.234  18.308  18.308
    3   3H    ARG   1          2H        ARG   1   0.054  16.936  16.936
    4    HA   ARG   1           HA       ARG   1   1.071  15.944  15.944
    5   1HB   ARG   1          2HB       ARG   1   1.332  17.227  17.227
    6   2HB   ARG   1          1HB       ARG   1   1.767  18.206  18.206
    7   1HG   ARG   1          2HG       ARG   1  -0.565  19.299  19.299
    8   2HG   ARG   1          1HG       ARG   1  -0.901  18.321  18.321
    9   1HD   ARG   1          2HD       ARG   1   1.098  19.375  19.375
   10   2HD   ARG   1          1HD       ARG   1   1.290  20.434  20.434
   11    HE   ARG   1           HE       ARG   1  -1.161  20.384  20.384
   12   1HH1  ARG   1          1HH1      ARG   1  -1.907  21.619  21.619
   13   2HH1  ARG   1          2HH1      ARG   1  -1.452  23.277  23.277
   14   1HH2  ARG   1          1HH2      ARG   1   0.832  22.489  22.489
   15   2HH2  ARG   1          2HH2      ARG   1   0.246  23.809  23.809
   16    H    SER   2           H        SER   2  -1.262  14.742  14.742
   17    HA   SER   2           HA       SER   2  -2.234  13.943  13.943
   18   1HB   SER   2          2HB       SER   2  -4.166  14.838  14.838
   19   2HB   SER   2          1HB       SER   2  -4.588  14.413  14.413
   20    HG   SER   2           HG       SER   2  -2.865  16.140  16.140
   21    H    CYS   3           H        CYS   3  -3.134  11.753  11.753
   22    HA   CYS   3           HA       CYS   3  -3.347  10.446  10.446
   23   1HB   CYS   3          2HB       CYS   3  -1.515   8.876   8.876
   24   2HB   CYS   3          1HB       CYS   3  -0.867  10.487  10.487
   25    H    ILE   4           H        ILE   4  -4.514   8.506   8.506
   26    HA   ILE   4           HA       ILE   4  -5.316   7.874   7.874
   27    HB   ILE   4           HB       ILE   4  -7.716   7.727   7.727
   28   1HG1  ILE   4          2HG1      ILE   4  -8.048   9.294   9.294
   29   2HG1  ILE   4          1HG1      ILE   4  -6.432   8.790   8.790
   30   1HG2  ILE   4          3HG2      ILE   4  -6.965   9.726   9.726
   31   2HG2  ILE   4          2HG2      ILE   4  -6.444  10.479  10.479
   32   3HG2  ILE   4          1HG2      ILE   4  -8.146  10.165  10.165
   33   1HD1  ILE   4          3HD1      ILE   4  -8.760   6.887   6.887
   34   2HD1  ILE   4          2HD1      ILE   4  -8.098   7.313   7.313
   35   3HD1  ILE   4          1HD1      ILE   4  -7.144   6.381   6.381
   36    H    ASP   5           H        ASP   5  -6.039   5.739   5.739
   37    HA   ASP   5           HA       ASP   5  -4.754   3.866   3.866
   38   1HB   ASP   5          2HB       ASP   5  -6.719   3.218   3.218
   39   2HB   ASP   5          1HB       ASP   5  -5.439   2.202   2.202
   40    H    THR   6           H        THR   6  -5.997   2.134   2.134
   41    HA   THR   6           HA       THR   6  -8.885   2.425   2.425
   42    HB   THR   6           HB       THR   6  -7.985   4.050   4.050
   43    HG1  THR   6          1HG       THR   6  -8.805   1.537   1.537
   44   1HG2  THR   6          1HG2      THR   6  -6.289   1.747   1.747
   45   2HG2  THR   6          3HG2      THR   6  -6.388   3.371   3.371
   46   3HG2  THR   6          2HG2      THR   6  -5.628   3.109   3.109
   47    H    ILE   7           H        ILE   7  -7.014   0.771   0.771
   48    HA   ILE   7           HA       ILE   7  -7.382  -1.772  -1.772
   49    HB   ILE   7           HB       ILE   7  -5.023  -0.667  -0.667
   50   1HG1  ILE   7          2HG1      ILE   7  -3.753  -2.723  -2.723
   51   2HG1  ILE   7          1HG1      ILE   7  -5.249  -3.479  -3.479
   52   1HG2  ILE   7          3HG2      ILE   7  -5.220   0.029   0.029
   53   2HG2  ILE   7          2HG2      ILE   7  -5.164  -1.664  -1.664
   54   3HG2  ILE   7          1HG2      ILE   7  -3.803  -0.924  -0.924
   55   1HD1  ILE   7          1HD1      ILE   7  -6.064  -3.198  -3.198
   56   2HD1  ILE   7          3HD1      ILE   7  -4.504  -2.498  -2.498
   57   3HD1  ILE   7          2HD1      ILE   7  -4.608  -4.172  -4.172
   58    HA   PRO   8           HA       PRO   8  -8.618  -3.254  -3.254
   59   1HB   PRO   8          2HB       PRO   8  -8.329  -5.907  -5.907
   60   2HB   PRO   8          1HB       PRO   8  -9.659  -5.103  -5.103
   61   1HG   PRO   8          2HG       PRO   8  -6.842  -5.658  -5.658
   62   2HG   PRO   8          1HG       PRO   8  -8.375  -6.217  -6.217
   63   1HD   PRO   8          2HD       PRO   8  -7.319  -3.956  -3.956
   64   2HD   PRO   8          1HD       PRO   8  -9.068  -3.984  -3.984
   65    H    LYS   9           H        LYS   9  -7.230  -2.761  -2.761
   66    HA   LYS   9           HA       LYS   9  -4.459  -2.659  -2.659
   67   1HB   LYS   9          2HB       LYS   9  -5.970  -1.687  -1.687
   68   2HB   LYS   9          1HB       LYS   9  -6.101  -3.287  -3.287
   69   1HG   LYS   9          2HG       LYS   9  -3.363  -2.256  -2.256
   70   2HG   LYS   9          1HG       LYS   9  -4.241  -1.556  -1.556
   71   1HD   LYS   9          2HD       LYS   9  -4.180  -3.622  -3.622
   72   2HD   LYS   9          1HD       LYS   9  -3.813  -4.523  -4.523
   73   1HE   LYS   9          2HE       LYS   9  -1.684  -4.101  -4.101
   74   2HE   LYS   9          1HE       LYS   9  -1.581  -3.449  -3.449
   75   1HZ   LYS   9          3HZ       LYS   9  -2.740  -1.491  -1.491
   76   2HZ   LYS   9          2HZ       LYS   9  -1.262  -2.032  -2.032
   77   3HZ   LYS   9          1HZ       LYS   9  -1.363  -1.341  -1.341
   78    H    SER  10           H        SER  10  -6.614  -5.158  -5.158
   79    HA   SER  10           HA       SER  10  -4.982  -7.081  -7.081
   80   1HB   SER  10          2HB       SER  10  -7.597  -7.184  -7.184
   81   2HB   SER  10          1HB       SER  10  -6.884  -8.136  -8.136
   82    HG   SER  10           HG       SER  10  -6.193  -9.599  -9.599
   83    H    ARG  11           H        ARG  11  -5.150  -6.097  -6.097
   84    HA   ARG  11           HA       ARG  11  -3.331  -8.193  -8.193
   85   1HB   ARG  11          2HB       ARG  11  -5.138  -6.653  -6.653
   86   2HB   ARG  11          1HB       ARG  11  -3.761  -5.585  -5.585
   87   1HG   ARG  11          2HG       ARG  11  -3.709  -7.083  -7.083
   88   2HG   ARG  11          1HG       ARG  11  -2.370  -7.473  -7.473
   89   1HD   ARG  11          2HD       ARG  11  -4.161  -9.223  -9.223
   90   2HD   ARG  11          1HD       ARG  11  -4.969  -8.917  -8.917
   91    HE   ARG  11           HE       ARG  11  -2.073  -9.802  -9.802
   92   1HH1  ARG  11          2HH1      ARG  11  -2.272  -9.641  -9.641
   93   2HH1  ARG  11          1HH1      ARG  11  -3.130 -11.001 -11.001
   94   1HH2  ARG  11          1HH2      ARG  11  -4.470 -11.616 -11.616
   95   2HH2  ARG  11          2HH2      ARG  11  -4.526 -12.250 -12.250
   96    H    CYS  12           H        CYS  12  -3.273  -5.011  -5.011
   97    HA   CYS  12           HA       CYS  12  -0.401  -4.641  -4.641
   98   1HB   CYS  12          2HB       CYS  12  -2.308  -2.977  -2.977
   99   2HB   CYS  12          1HB       CYS  12  -0.914  -2.425  -2.425
  100    H    THR  13           H        THR  13  -1.160  -6.934  -6.934
  101    HA   THR  13           HA       THR  13  -0.975  -6.373  -6.373
  102    HB   THR  13           HB       THR  13  -1.773  -8.650  -8.650
  103    HG1  THR  13          1HG       THR  13  -0.093  -9.705  -9.705
  104   1HG2  THR  13          2HG2      THR  13   0.532  -9.015  -9.015
  105   2HG2  THR  13          1HG2      THR  13  -0.679 -10.225 -10.225
  106   3HG2  THR  13          3HG2      THR  13  -1.148  -8.801  -8.801
  107    H    ALA  14           H        ALA  14   0.882  -6.482  -6.482
  108    HA   ALA  14           HA       ALA  14   3.079  -5.015  -5.015
  109   1HB   ALA  14          2HB       ALA  14   3.120  -7.502  -7.502
  110   2HB   ALA  14          1HB       ALA  14   4.326  -6.227  -6.227
  111   3HB   ALA  14          3HB       ALA  14   2.680  -5.888  -5.888
  112    H    PHE  15           H        PHE  15   2.514  -8.295  -8.295
  113    HA   PHE  15           HA       PHE  15   4.886  -9.414  -9.414
  114   1HB   PHE  15          2HB       PHE  15   2.227 -10.167 -10.167
  115   2HB   PHE  15          1HB       PHE  15   3.575 -11.190 -11.190
  116    HD1  PHE  15          2HD       PHE  15   3.564  -9.731  -9.731
  117    HD2  PHE  15          1HD       PHE  15   0.823 -11.915 -11.915
  118    HE1  PHE  15          2HE       PHE  15   2.371 -10.480 -10.480
  119    HE2  PHE  15          1HE       PHE  15  -0.359 -12.669 -12.669
  120    HZ   PHE  15           HZ       PHE  15   0.405 -11.952 -11.952
  121    H    GLN  16           H        GLN  16   2.252  -7.974  -7.974
  122    HA   GLN  16           HA       GLN  16   3.811  -7.917  -7.917
  123   1HB   GLN  16          2HB       GLN  16   1.068  -6.702  -6.702
  124   2HB   GLN  16          1HB       GLN  16   1.636  -7.342  -7.342
  125   1HG   GLN  16          2HG       GLN  16   1.800  -9.535  -9.535
  126   2HG   GLN  16          1HG       GLN  16   0.266  -8.729  -8.729
  127   1HE2  GLN  16          2HE2      GLN  16   1.174 -10.839 -10.839
  128   2HE2  GLN  16          1HE2      GLN  16   2.398 -10.486 -10.486
  129    H    CYS  17           H        CYS  17   2.991  -5.997  -5.997
  130    HA   CYS  17           HA       CYS  17   3.440  -3.350  -3.350
  131   1HB   CYS  17          2HB       CYS  17   2.317  -4.052  -4.052
  132   2HB   CYS  17          1HB       CYS  17   3.959  -3.950  -3.950
  133    H    LYS  18           H        LYS  18   5.260  -5.901  -5.901
  134    HA   LYS  18           HA       LYS  18   7.795  -4.376  -4.376
  135   1HB   LYS  18          2HB       LYS  18   7.058  -6.139  -6.139
  136   2HB   LYS  18          1HB       LYS  18   7.449  -7.352  -7.352
  137   1HG   LYS  18          2HG       LYS  18   9.429  -7.158  -7.158
  138   2HG   LYS  18          1HG       LYS  18   9.789  -6.255  -6.255
  139   1HD   LYS  18          2HD       LYS  18   9.238  -4.129  -4.129
  140   2HD   LYS  18          1HD       LYS  18   8.667  -4.978  -4.978
  141   1HE   LYS  18          2HE       LYS  18  11.006  -5.889  -5.889
  142   2HE   LYS  18          1HE       LYS  18  11.546  -4.914  -4.914
  143   1HZ   LYS  18          1HZ       LYS  18  10.090  -3.288  -3.288
  144   2HZ   LYS  18          3HZ       LYS  18  11.293  -4.130  -4.130
  145   3HZ   LYS  18          2HZ       LYS  18  11.717  -3.164  -3.164
  146    H    HIS  19           H        HIS  19   6.363  -7.373  -7.373
  147    HA   HIS  19           HA       HIS  19   8.341  -7.189  -7.189
  148   1HB   HIS  19          2HB       HIS  19   6.758  -9.570  -9.570
  149   2HB   HIS  19          1HB       HIS  19   7.897  -9.616  -9.616
  150    HD1  HIS  19          1HD       HIS  19  10.391  -9.405  -9.405
  151    HD2  HIS  19          2HD       HIS  19   7.853  -9.402  -9.402
  152    HE1  HIS  19          1HE       HIS  19  11.736  -9.720  -9.720
  153    H    SER  20           H        SER  20   5.679  -5.702  -5.702
  154    HA   SER  20           HA       SER  20   4.822  -6.652  -6.652
  155   1HB   SER  20          2HB       SER  20   2.860  -6.209  -6.209
  156   2HB   SER  20          1HB       SER  20   2.518  -6.733  -6.733
  157    HG   SER  20           HG       SER  20   4.394  -8.373  -8.373
  158    H    MET  21           H        MET  21   6.006  -4.529  -4.529
  159    HA   MET  21           HA       MET  21   4.900  -2.067  -2.067
  160   1HB   MET  21          2HB       MET  21   6.285  -2.708  -2.708
  161   2HB   MET  21          1HB       MET  21   5.865  -1.082  -1.082
  162   1HG   MET  21          2HG       MET  21   7.236  -2.112  -2.112
  163   2HG   MET  21          1HG       MET  21   8.098  -2.755  -2.755
  164   1HE   MET  21          1HE       MET  21   6.177   0.462   0.462
  165   2HE   MET  21          3HE       MET  21   7.269   0.407   0.407
  166   3HE   MET  21          2HE       MET  21   7.423   1.664   1.664
  167   1HN   DNP  22           HN       DAP  22   3.750  -4.347  -4.347
  168    HA   DNP  22           HA       DAP  22   2.034  -2.583  -2.583
  169   1HB   DNP  22          1HB       DAP  22   2.280  -4.970  -4.970
  170   2HB   DNP  22          2HB       DAP  22   0.581  -4.644  -4.644
  171   1HG   DNP  22          1HG       DAP  22   2.232  -6.560  -6.560
  172   2HG   DNP  22          2HG       DAP  22   0.599  -6.256  -6.256
  173   3HG   DNP  22          3HG       DAP  22   1.764  -5.424  -5.424
  174    H    TYR  23           H        TYR  23   1.848  -3.024  -3.024
  175    HA   TYR  23           HA       TYR  23  -0.955  -2.071  -2.071
  176   1HB   TYR  23          2HB       TYR  23   0.184  -3.834  -3.834
  177   2HB   TYR  23          1HB       TYR  23  -1.502  -3.426  -3.426
  178    HD1  TYR  23          1HD       TYR  23  -2.217  -3.959  -3.959
  179    HD2  TYR  23          2HD       TYR  23   0.536  -6.102  -6.102
  180    HE1  TYR  23          1HE       TYR  23  -2.578  -5.936  -5.936
  181    HE2  TYR  23          2HE       TYR  23   0.205  -8.113  -8.113
  182    HH   TYR  23           HH       TYR  23  -1.985  -8.020  -8.020
  183    H    ARG  24           H        ARG  24   1.790  -2.392  -2.392
  184    HA   ARG  24           HA       ARG  24   1.449  -0.173  -0.173
  185   1HB   ARG  24          2HB       ARG  24   2.974  -1.949  -1.949
  186   2HB   ARG  24          1HB       ARG  24   3.969  -1.358  -1.358
  187   1HG   ARG  24          2HG       ARG  24   4.430   0.591   0.591
  188   2HG   ARG  24          1HG       ARG  24   3.041   0.585   0.585
  189   1HD   ARG  24          2HD       ARG  24   4.392  -0.038  -0.038
  190   2HD   ARG  24          1HD       ARG  24   4.378  -1.595  -1.595
  191    HE   ARG  24           HE       ARG  24   6.452  -0.897  -0.897
  192   1HH1  ARG  24          1HH2      ARG  24   7.019   1.769   1.769
  193   2HH1  ARG  24          2HH2      ARG  24   7.891   1.905   1.905
  194   1HH2  ARG  24          2HH1      ARG  24   6.714  -1.356  -1.356
  195   2HH2  ARG  24          1HH1      ARG  24   7.675  -0.037  -0.037
  196    H    LEU  25           H        LEU  25   2.677  -0.242  -0.242
  197    HA   LEU  25           HA       LEU  25   4.063   2.191   2.191
  198   1HB   LEU  25          2HB       LEU  25   4.117   0.468   0.468
  199   2HB   LEU  25          1HB       LEU  25   2.540   0.721   0.721
  200    HG   LEU  25           HG       LEU  25   3.130   3.059   3.059
  201   1HD1  LEU  25          1HD1      LEU  25   5.971   2.370   2.370
  202   2HD1  LEU  25          3HD1      LEU  25   5.496   3.789   3.789
  203   3HD1  LEU  25          2HD1      LEU  25   4.950   3.601   3.601
  204   1HD2  LEU  25          2HD2      LEU  25   3.381   1.155   1.155
  205   2HD2  LEU  25          1HD2      LEU  25   4.592   2.384   2.384
  206   3HD2  LEU  25          3HD2      LEU  25   5.036   0.916   0.916
  207    H    SER  26           H        SER  26   0.958   1.709   1.709
  208    HA   SER  26           HA       SER  26   0.268   4.518   4.518
  209   1HB   SER  26          2HB       SER  26   1.164   4.555   4.555
  210   2HB   SER  26          1HB       SER  26  -0.173   3.494   3.494
  211    HG   SER  26           HG       SER  26  -1.426   5.154   5.154
  212    H    PHE  27           H        PHE  27  -0.519   1.390   1.390
  213    HA   PHE  27           HA       PHE  27  -3.457   1.905   1.905
  214   1HB   PHE  27          2HB       PHE  27  -2.253  -0.703  -0.703
  215   2HB   PHE  27          1HB       PHE  27  -3.766  -0.398  -0.398
  216    HD1  PHE  27          2HD       PHE  27  -0.068  -0.068  -0.068
  217    HD2  PHE  27          1HD       PHE  27  -3.949  -0.527  -0.527
  218    HE1  PHE  27          2HE       PHE  27   0.951  -0.342  -0.342
  219    HE2  PHE  27          1HE       PHE  27  -2.891  -0.814  -0.814
  220    HZ   PHE  27           HZ       PHE  27  -0.443  -0.731  -0.731
  221    H    CYS  28           H        CYS  28  -1.143   1.024   1.024
  222    HA   CYS  28           HA       CYS  28  -3.200   1.541   1.541
  223   1HB   CYS  28          2HB       CYS  28  -0.672   0.178   0.178
  224   2HB   CYS  28          1HB       CYS  28  -2.329  -0.270  -0.270
  225    H    ARG  29           H        ARG  29  -1.958   3.497   3.497
  226    HA   ARG  29           HA       ARG  29   0.269   4.833   4.833
  227   1HB   ARG  29          2HB       ARG  29  -2.600   5.559   5.559
  228   2HB   ARG  29          1HB       ARG  29  -1.494   6.843   6.843
  229   1HG   ARG  29          2HG       ARG  29  -0.242   6.468   6.468
  230   2HG   ARG  29          1HG       ARG  29  -0.983   4.896   4.896
  231   1HD   ARG  29          2HD       ARG  29  -2.970   5.709   5.709
  232   2HD   ARG  29          1HD       ARG  29  -2.799   7.278   7.278
  233    HE   ARG  29           HE       ARG  29  -1.205   6.295   6.295
  234   1HH1  ARG  29          2HH1      ARG  29   0.088   8.571   8.571
  235   2HH1  ARG  29          1HH1      ARG  29  -0.685   9.923   9.923
  236   1HH2  ARG  29          1HH2      ARG  29  -3.552   7.848   7.848
  237   2HH2  ARG  29          2HH2      ARG  29  -3.006   9.472   9.472
  238    H    LYS  30           H        LYS  30  -2.469   5.233   5.233
  239    HA   LYS  30           HA       LYS  30  -0.564   6.091   6.091
  240   1HB   LYS  30          2HB       LYS  30  -3.618   6.159   6.159
  241   2HB   LYS  30          1HB       LYS  30  -2.655   6.850   6.850
  242   1HG   LYS  30          2HG       LYS  30  -1.415   7.768   7.768
  243   2HG   LYS  30          1HG       LYS  30  -3.130   7.903   7.903
  244   1HD   LYS  30          2HD       LYS  30  -3.432   9.419   9.419
  245   2HD   LYS  30          1HD       LYS  30  -1.874   9.056   9.056
  246   1HE   LYS  30          2HE       LYS  30  -2.241  10.273  10.273
  247   2HE   LYS  30          1HE       LYS  30  -1.915  11.230  11.230
  248   1HZ   LYS  30          1HZ       LYS  30   0.075   9.174   9.174
  249   2HZ   LYS  30          3HZ       LYS  30  -0.014   9.919   9.919
  250   3HZ   LYS  30          2HZ       LYS  30   0.362  10.777  10.777
  251    H    THR  31           H        THR  31  -3.063   3.806   3.806
  252    HA   THR  31           HA       THR  31  -3.379   2.197   2.197
  253    HB   THR  31           HB       THR  31  -3.108   1.471   1.471
  254    HG1  THR  31          1HG       THR  31  -4.932   2.606   2.606
  255   1HG2  THR  31          2HG2      THR  31  -4.107  -0.247  -0.247
  256   2HG2  THR  31          1HG2      THR  31  -4.127  -0.629  -0.629
  257   3HG2  THR  31          3HG2      THR  31  -2.591  -0.595  -0.595
  258    H    CYS  32           H        CYS  32  -0.476   2.456   2.456
  259    HA   CYS  32           HA       CYS  32   0.877   0.420   0.420
  260   1HB   CYS  32          2HB       CYS  32   0.992   1.028   1.028
  261   2HB   CYS  32          1HB       CYS  32   2.552   0.947   0.947
  262    H    GLY  33           H        GLY  33   1.226   3.470   3.470
  263   1HA   GLY  33          2HA       GLY  33   1.976   5.434   5.434
  264   2HA   GLY  33          1HA       GLY  33   3.104   4.363   4.363
  265    H    THR  34           H        THR  34   2.289   4.942   4.942
  266    HA   THR  34           HA       THR  34   5.182   5.119   5.119
  267    HB   THR  34           HB       THR  34   3.806   5.352   5.352
  268    HG1  THR  34          1HG       THR  34   2.299   3.421   3.421
  269   1HG2  THR  34          2HG2      THR  34   5.635   3.707   3.707
  270   2HG2  THR  34          1HG2      THR  34   4.402   2.767   2.767
  271   3HG2  THR  34          3HG2      THR  34   4.366   2.952   2.952
  272    H    CYS  35           HN       CYS  35   2.221   7.083   7.083
  273    HA   CYS  35           HA       CYS  35   3.950   9.435   9.435
  274   1HB   CYS  35          2HB       CYS  35   1.892  10.146  10.146
  275   2HB   CYS  35          1HB       CYS  35   2.864   8.926   8.926

  Start of MODEL   11
    1   1H    ARG   1          1H        ARG   1   0.716  14.308  14.308
    2   2H    ARG   1          3H        ARG   1   1.312  15.226  15.226
    3   3H    ARG   1          2H        ARG   1   2.048  15.308  15.308
    4    HA   ARG   1           HA       ARG   1   0.703  16.932  16.932
    5   1HB   ARG   1          2HB       ARG   1   0.677  17.676  17.676
    6   2HB   ARG   1          1HB       ARG   1  -0.692  16.624  16.624
    7   1HG   ARG   1          2HG       ARG   1  -2.060  17.914  17.914
    8   2HG   ARG   1          1HG       ARG   1  -0.685  18.948  18.948
    9   1HD   ARG   1          2HD       ARG   1  -0.702  19.721  19.721
   10   2HD   ARG   1          1HD       ARG   1  -2.097  18.690  18.690
   11    HE   ARG   1           HE       ARG   1  -2.139  20.942  20.942
   12   1HH1  ARG   1          1HH1      ARG   1  -4.221  18.743  18.743
   13   2HH1  ARG   1          2HH1      ARG   1  -5.468  19.574  19.574
   14   1HH2  ARG   1          1HH2      ARG   1  -3.217  22.229  22.229
   15   2HH2  ARG   1          2HH2      ARG   1  -4.845  21.726  21.726
   16    H    SER   2           H        SER   2  -1.660  15.152  15.152
   17    HA   SER   2           HA       SER   2  -3.059  14.233  14.233
   18   1HB   SER   2          2HB       SER   2  -4.523  15.126  15.126
   19   2HB   SER   2          1HB       SER   2  -5.187  14.919  14.919
   20    HG   SER   2           HG       SER   2  -4.325  16.766  16.766
   21    H    CYS   3           H        CYS   3  -3.056  11.941  11.941
   22    HA   CYS   3           HA       CYS   3  -3.323  10.805  10.805
   23   1HB   CYS   3          2HB       CYS   3  -1.496   9.149   9.149
   24   2HB   CYS   3          1HB       CYS   3  -1.010  10.683  10.683
   25    H    ILE   4           H        ILE   4  -4.363   8.919   8.919
   26    HA   ILE   4           HA       ILE   4  -5.502   7.996   7.996
   27    HB   ILE   4           HB       ILE   4  -7.722   7.831   7.831
   28   1HG1  ILE   4          2HG1      ILE   4  -7.868   9.173   9.173
   29   2HG1  ILE   4          1HG1      ILE   4  -6.239   8.579   8.579
   30   1HG2  ILE   4          1HG2      ILE   4  -7.138   9.962   9.962
   31   2HG2  ILE   4          3HG2      ILE   4  -6.481  10.587  10.587
   32   3HG2  ILE   4          2HG2      ILE   4  -8.196  10.254  10.254
   33   1HD1  ILE   4          3HD1      ILE   4  -7.106   6.201   6.201
   34   2HD1  ILE   4          2HD1      ILE   4  -8.712   6.862   6.862
   35   3HD1  ILE   4          1HD1      ILE   4  -7.877   6.966   6.966
   36    H    ASP   5           H        ASP   5  -5.800   5.958   5.958
   37    HA   ASP   5           HA       ASP   5  -4.360   4.013   4.013
   38   1HB   ASP   5          2HB       ASP   5  -6.313   3.494   3.494
   39   2HB   ASP   5          1HB       ASP   5  -4.786   2.722   2.722
   40    H    THR   6           H        THR   6  -5.570   2.175   2.175
   41    HA   THR   6           HA       THR   6  -8.525   2.431   2.431
   42    HB   THR   6           HB       THR   6  -7.526   3.874   3.874
   43    HG1  THR   6          1HG       THR   6  -9.284   3.126   3.126
   44   1HG2  THR   6          2HG2      THR   6  -6.405   1.216   1.216
   45   2HG2  THR   6          1HG2      THR   6  -6.351   2.749   2.749
   46   3HG2  THR   6          3HG2      THR   6  -5.421   2.534   2.534
   47    H    ILE   7           H        ILE   7  -6.629   0.903   0.903
   48    HA   ILE   7           HA       ILE   7  -7.035  -1.752  -1.752
   49    HB   ILE   7           HB       ILE   7  -4.643  -0.701  -0.701
   50   1HG1  ILE   7          2HG1      ILE   7  -3.567  -2.833  -2.833
   51   2HG1  ILE   7          1HG1      ILE   7  -5.144  -3.453  -3.453
   52   1HG2  ILE   7          3HG2      ILE   7  -4.921   0.091   0.091
   53   2HG2  ILE   7          2HG2      ILE   7  -4.960  -1.589  -1.589
   54   3HG2  ILE   7          1HG2      ILE   7  -3.529  -0.937  -0.937
   55   1HD1  ILE   7          1HD1      ILE   7  -5.783  -3.125  -3.125
   56   2HD1  ILE   7          3HD1      ILE   7  -4.142  -2.583  -2.583
   57   3HD1  ILE   7          2HD1      ILE   7  -4.445  -4.235  -4.235
   58    HA   PRO   8           HA       PRO   8  -8.404  -3.099  -3.099
   59   1HB   PRO   8          2HB       PRO   8  -8.182  -5.743  -5.743
   60   2HB   PRO   8          1HB       PRO   8  -9.490  -4.908  -4.908
   61   1HG   PRO   8          2HG       PRO   8  -6.685  -5.541  -5.541
   62   2HG   PRO   8          1HG       PRO   8  -8.242  -6.049  -6.049
   63   1HD   PRO   8          2HD       PRO   8  -7.126  -3.819  -3.819
   64   2HD   PRO   8          1HD       PRO   8  -8.864  -3.786  -3.786
   65    H    LYS   9           H        LYS   9  -7.030  -2.581  -2.581
   66    HA   LYS   9           HA       LYS   9  -4.230  -2.630  -2.630
   67   1HB   LYS   9          2HB       LYS   9  -5.599  -1.561  -1.561
   68   2HB   LYS   9          1HB       LYS   9  -6.066  -3.126  -3.126
   69   1HG   LYS   9          2HG       LYS   9  -3.105  -2.680  -2.680
   70   2HG   LYS   9          1HG       LYS   9  -3.920  -1.803  -1.803
   71   1HD   LYS   9          2HD       LYS   9  -4.567  -3.832  -3.832
   72   2HD   LYS   9          1HD       LYS   9  -4.327  -4.826  -4.826
   73   1HE   LYS   9          2HE       LYS   9  -2.460  -5.120  -5.120
   74   2HE   LYS   9          1HE       LYS   9  -1.892  -4.458  -4.458
   75   1HZ   LYS   9          3HZ       LYS   9  -2.676  -2.318  -2.318
   76   2HZ   LYS   9          2HZ       LYS   9  -1.635  -3.329  -3.329
   77   3HZ   LYS   9          1HZ       LYS   9  -1.139  -2.685  -2.685
   78    H    SER  10           H        SER  10  -6.517  -4.967  -4.967
   79    HA   SER  10           HA       SER  10  -5.389  -7.137  -7.137
   80   1HB   SER  10          2HB       SER  10  -7.036  -7.557  -7.557
   81   2HB   SER  10          1HB       SER  10  -7.240  -8.315  -8.315
   82    HG   SER  10           HG       SER  10  -8.636  -6.722  -6.722
   83    H    ARG  11           H        ARG  11  -5.040  -6.073  -6.073
   84    HA   ARG  11           HA       ARG  11  -3.240  -8.223  -8.223
   85   1HB   ARG  11          2HB       ARG  11  -4.796  -6.549  -6.549
   86   2HB   ARG  11          1HB       ARG  11  -3.356  -5.572  -5.572
   87   1HG   ARG  11          2HG       ARG  11  -3.123  -6.924  -6.924
   88   2HG   ARG  11          1HG       ARG  11  -1.989  -7.549  -7.549
   89   1HD   ARG  11          2HD       ARG  11  -3.811  -9.268  -9.268
   90   2HD   ARG  11          1HD       ARG  11  -4.729  -8.670  -8.670
   91    HE   ARG  11           HE       ARG  11  -1.941  -9.844  -9.844
   92   1HH1  ARG  11          1HH2      ARG  11  -2.594  -8.730  -8.730
   93   2HH1  ARG  11          2HH2      ARG  11  -3.515  -9.884  -9.884
   94   1HH2  ARG  11          2HH1      ARG  11  -4.157 -11.726 -11.726
   95   2HH2  ARG  11          1HH1      ARG  11  -4.441 -11.762 -11.762
   96    H    CYS  12           H        CYS  12  -3.088  -4.974  -4.974
   97    HA   CYS  12           HA       CYS  12  -0.169  -4.755  -4.755
   98   1HB   CYS  12          2HB       CYS  12  -2.097  -2.956  -2.956
   99   2HB   CYS  12          1HB       CYS  12  -0.615  -2.490  -2.490
  100    H    THR  13           H        THR  13  -0.720  -6.851  -6.851
  101    HA   THR  13           HA       THR  13  -0.637  -6.455  -6.455
  102    HB   THR  13           HB       THR  13  -1.917  -8.400  -8.400
  103    HG1  THR  13          1HG       THR  13  -0.061  -9.938  -9.938
  104   1HG2  THR  13          2HG2      THR  13   0.757  -9.344  -9.344
  105   2HG2  THR  13          1HG2      THR  13  -0.784 -10.198 -10.198
  106   3HG2  THR  13          3HG2      THR  13  -0.588  -8.732  -8.732
  107    H    ALA  14           H        ALA  14   1.264  -7.599  -7.599
  108    HA   ALA  14           HA       ALA  14   3.594  -6.251  -6.251
  109   1HB   ALA  14          3HB       ALA  14   3.463  -8.638  -8.638
  110   2HB   ALA  14          2HB       ALA  14   4.869  -7.612  -7.612
  111   3HB   ALA  14          1HB       ALA  14   3.405  -6.944  -6.944
  112    H    PHE  15           H        PHE  15   2.216  -9.156  -9.156
  113    HA   PHE  15           HA       PHE  15   4.612 -10.440 -10.440
  114   1HB   PHE  15          2HB       PHE  15   1.971 -11.346 -11.346
  115   2HB   PHE  15          1HB       PHE  15   3.261 -12.277 -12.277
  116    HD1  PHE  15          1HD       PHE  15   3.437 -10.960 -10.960
  117    HD2  PHE  15          2HD       PHE  15   0.060 -12.154 -12.154
  118    HE1  PHE  15          1HE       PHE  15   2.114 -11.201 -11.201
  119    HE2  PHE  15          2HE       PHE  15  -1.254 -12.391 -12.391
  120    HZ   PHE  15           HZ       PHE  15  -0.239 -11.919 -11.919
  121    H    GLN  16           H        GLN  16   2.654  -7.946  -7.946
  122    HA   GLN  16           HA       GLN  16   3.709  -8.147  -8.147
  123   1HB   GLN  16          2HB       GLN  16   1.052  -6.912  -6.912
  124   2HB   GLN  16          1HB       GLN  16   1.622  -7.377  -7.377
  125   1HG   GLN  16          2HG       GLN  16   1.566  -9.762  -9.762
  126   2HG   GLN  16          1HG       GLN  16   0.023  -9.022  -9.022
  127   1HE2  GLN  16          2HE2      GLN  16   1.879 -10.659 -10.659
  128   2HE2  GLN  16          1HE2      GLN  16   2.766 -10.292 -10.292
  129    H    CYS  17           H        CYS  17   2.302  -6.011  -6.011
  130    HA   CYS  17           HA       CYS  17   2.629  -3.501  -3.501
  131   1HB   CYS  17          2HB       CYS  17   1.798  -4.110  -4.110
  132   2HB   CYS  17          1HB       CYS  17   3.412  -4.391  -4.391
  133    H    LYS  18           H        LYS  18   5.173  -5.440  -5.440
  134    HA   LYS  18           HA       LYS  18   7.165  -3.445  -3.445
  135   1HB   LYS  18          2HB       LYS  18   7.351  -3.701  -3.701
  136   2HB   LYS  18          1HB       LYS  18   7.371  -5.440  -5.440
  137   1HG   LYS  18          2HG       LYS  18   9.599  -4.374  -4.374
  138   2HG   LYS  18          1HG       LYS  18   9.609  -5.507  -5.507
  139   1HD   LYS  18          2HD       LYS  18   9.316  -3.281  -3.281
  140   2HD   LYS  18          1HD       LYS  18   9.742  -2.434  -2.434
  141   1HE   LYS  18          2HE       LYS  18  11.708  -2.870  -2.870
  142   2HE   LYS  18          1HE       LYS  18  11.911  -3.612  -3.612
  143   1HZ   LYS  18          1HZ       LYS  18  10.531  -5.414  -5.414
  144   2HZ   LYS  18          3HZ       LYS  18  11.877  -4.879  -4.879
  145   3HZ   LYS  18          2HZ       LYS  18  12.085  -5.601  -5.601
  146    H    HIS  19           H        HIS  19   5.867  -6.157  -6.157
  147    HA   HIS  19           HA       HIS  19   8.306  -7.071  -7.071
  148   1HB   HIS  19          2HB       HIS  19   6.233  -8.824  -8.824
  149   2HB   HIS  19          1HB       HIS  19   7.319  -9.433  -9.433
  150    HD1  HIS  19          1HD       HIS  19   9.876  -9.258  -9.258
  151    HD2  HIS  19          2HD       HIS  19   7.433  -8.482  -8.482
  152    HE1  HIS  19          1HE       HIS  19  11.241  -9.376  -9.376
  153    H    SER  20           H        SER  20   5.576  -5.579  -5.579
  154    HA   SER  20           HA       SER  20   5.147  -6.215  -6.215
  155   1HB   SER  20          2HB       SER  20   3.157  -6.870  -6.870
  156   2HB   SER  20          1HB       SER  20   2.628  -6.528  -6.528
  157    HG   SER  20           HG       SER  20   4.790  -8.280  -8.280
  158    H    MET  21           H        MET  21   6.012  -3.932  -3.932
  159    HA   MET  21           HA       MET  21   4.362  -1.836  -1.836
  160   1HB   MET  21          2HB       MET  21   6.381  -1.837  -1.837
  161   2HB   MET  21          1HB       MET  21   5.591  -0.389  -0.389
  162   1HG   MET  21          2HG       MET  21   6.493  -1.329  -1.329
  163   2HG   MET  21          1HG       MET  21   7.709  -1.956  -1.956
  164   1HE   MET  21          3HE       MET  21   5.552   0.846   0.846
  165   2HE   MET  21          2HE       MET  21   6.585   2.206   2.206
  166   3HE   MET  21          1HE       MET  21   6.073   1.911   1.911
  167   1HN   DNP  22           HN       DAP  22   3.782  -3.987  -3.987
  168    HA   DNP  22           HA       DAP  22   2.259  -2.374  -2.374
  169   1HB   DNP  22          1HB       DAP  22   2.590  -4.802  -4.802
  170   2HB   DNP  22          2HB       DAP  22   0.883  -4.378  -4.378
  171   1HG   DNP  22          1HG       DAP  22   0.582  -5.873  -5.873
  172   2HG   DNP  22          2HG       DAP  22   1.618  -5.041  -5.041
  173   3HG   DNP  22          3HG       DAP  22   2.219  -6.293  -6.293
  174    H    TYR  23           H        TYR  23   1.830  -3.003  -3.003
  175    HA   TYR  23           HA       TYR  23  -0.904  -1.897  -1.897
  176   1HB   TYR  23          2HB       TYR  23   0.110  -3.567  -3.567
  177   2HB   TYR  23          1HB       TYR  23  -1.549  -3.271  -3.271
  178    HD1  TYR  23          1HD       TYR  23  -2.118  -4.072  -4.072
  179    HD2  TYR  23          2HD       TYR  23   0.860  -5.746  -5.746
  180    HE1  TYR  23          1HE       TYR  23  -2.287  -6.195  -6.195
  181    HE2  TYR  23          2HE       TYR  23   0.711  -7.875  -7.875
  182    HH   TYR  23           HH       TYR  23  -0.225  -8.960  -8.960
  183    H    ARG  24           H        ARG  24   1.863  -2.315  -2.315
  184    HA   ARG  24           HA       ARG  24   1.511   0.065   0.065
  185   1HB   ARG  24          2HB       ARG  24   3.063  -2.191  -2.191
  186   2HB   ARG  24          1HB       ARG  24   4.273  -1.053  -1.053
  187   1HG   ARG  24          2HG       ARG  24   2.496   0.056   0.056
  188   2HG   ARG  24          1HG       ARG  24   3.307  -1.393  -1.393
  189   1HD   ARG  24          2HD       ARG  24   4.979   0.566   0.566
  190   2HD   ARG  24          1HD       ARG  24   4.352   1.109   1.109
  191    HE   ARG  24           HE       ARG  24   5.945  -1.368  -1.368
  192   1HH1  ARG  24          1HH2      ARG  24   4.953  -1.689  -1.689
  193   2HH1  ARG  24          2HH2      ARG  24   5.947  -0.753  -0.753
  194   1HH2  ARG  24          2HH1      ARG  24   7.086   1.167   1.167
  195   2HH2  ARG  24          1HH1      ARG  24   7.264   1.015   1.015
  196    H    LEU  25           H        LEU  25   1.946   0.213   0.213
  197    HA   LEU  25           HA       LEU  25   3.938   2.458   2.458
  198   1HB   LEU  25          2HB       LEU  25   4.180   0.766   0.766
  199   2HB   LEU  25          1HB       LEU  25   2.608   0.908   0.908
  200    HG   LEU  25           HG       LEU  25   3.046   3.165   3.165
  201   1HD1  LEU  25          3HD1      LEU  25   4.640   4.025   4.025
  202   2HD1  LEU  25          2HD1      LEU  25   5.870   2.940   2.940
  203   3HD1  LEU  25          1HD1      LEU  25   5.258   4.247   4.247
  204   1HD2  LEU  25          3HD2      LEU  25   5.332   1.235   1.235
  205   2HD2  LEU  25          2HD2      LEU  25   3.741   1.201   1.201
  206   3HD2  LEU  25          1HD2      LEU  25   4.812   2.558   2.558
  207    H    SER  26           H        SER  26   1.072   1.960   1.960
  208    HA   SER  26           HA       SER  26   0.117   4.636   4.636
  209   1HB   SER  26          2HB       SER  26  -0.017   3.218   3.218
  210   2HB   SER  26          1HB       SER  26  -0.913   4.686   4.686
  211    HG   SER  26           HG       SER  26   1.743   4.800   4.800
  212    H    PHE  27           H        PHE  27  -0.458   1.583   1.583
  213    HA   PHE  27           HA       PHE  27  -3.427   1.981   1.981
  214   1HB   PHE  27          2HB       PHE  27  -2.178  -0.614  -0.614
  215   2HB   PHE  27          1HB       PHE  27  -3.665  -0.279  -0.279
  216    HD1  PHE  27          2HD       PHE  27   0.054   0.238   0.238
  217    HD2  PHE  27          1HD       PHE  27  -3.757  -0.500  -0.500
  218    HE1  PHE  27          2HE       PHE  27   1.126   0.027   0.027
  219    HE2  PHE  27          1HE       PHE  27  -2.647  -0.723  -0.723
  220    HZ   PHE  27           HZ       PHE  27  -0.192  -0.490  -0.490
  221    H    CYS  28           H        CYS  28  -0.939   1.235   1.235
  222    HA   CYS  28           HA       CYS  28  -3.097   1.584   1.584
  223   1HB   CYS  28          2HB       CYS  28  -0.516   0.340   0.340
  224   2HB   CYS  28          1HB       CYS  28  -2.140  -0.234  -0.234
  225    H    ARG  29           H        ARG  29  -1.722   3.529   3.529
  226    HA   ARG  29           HA       ARG  29   0.436   4.847   4.847
  227   1HB   ARG  29          2HB       ARG  29  -2.360   5.692   5.692
  228   2HB   ARG  29          1HB       ARG  29  -1.187   6.884   6.884
  229   1HG   ARG  29          2HG       ARG  29  -0.003   6.679   6.679
  230   2HG   ARG  29          1HG       ARG  29  -0.621   5.062   5.062
  231   1HD   ARG  29          2HD       ARG  29  -2.661   5.774   5.774
  232   2HD   ARG  29          1HD       ARG  29  -2.632   7.297   7.297
  233    HE   ARG  29           HE       ARG  29  -0.995   8.110   8.110
  234   1HH1  ARG  29          2HH1      ARG  29  -3.866   6.644   6.644
  235   2HH1  ARG  29          1HH1      ARG  29  -3.689   6.157   6.157
  236   1HH2  ARG  29          1HH2      ARG  29  -0.231   7.035   7.035
  237   2HH2  ARG  29          2HH2      ARG  29  -1.503   6.523   6.523
  238    H    LYS  30           H        LYS  30  -2.466   5.105   5.105
  239    HA   LYS  30           HA       LYS  30  -0.781   6.179   6.179
  240   1HB   LYS  30          2HB       LYS  30  -3.789   5.703   5.703
  241   2HB   LYS  30          1HB       LYS  30  -2.860   6.689   6.689
  242   1HG   LYS  30          2HG       LYS  30  -2.843   7.257   7.257
  243   2HG   LYS  30          1HG       LYS  30  -4.164   7.781   7.781
  244   1HD   LYS  30          2HD       LYS  30  -2.234   8.933   8.933
  245   2HD   LYS  30          1HD       LYS  30  -1.147   8.386   8.386
  246   1HE   LYS  30          2HE       LYS  30  -1.920  10.768  10.768
  247   2HE   LYS  30          1HE       LYS  30  -2.174   9.727   9.727
  248   1HZ   LYS  30          2HZ       LYS  30  -4.435   9.509   9.509
  249   2HZ   LYS  30          1HZ       LYS  30  -4.124  11.159  11.159
  250   3HZ   LYS  30          3HZ       LYS  30  -4.290  10.103  10.103
  251    H    THR  31           H        THR  31  -3.047   3.740   3.740
  252    HA   THR  31           HA       THR  31  -3.359   2.137   2.137
  253    HB   THR  31           HB       THR  31  -2.843   1.433   1.433
  254    HG1  THR  31          1HG       THR  31  -4.818   2.388   2.388
  255   1HG2  THR  31          1HG2      THR  31  -3.838  -0.391  -0.391
  256   2HG2  THR  31          3HG2      THR  31  -3.744  -0.743  -0.743
  257   3HG2  THR  31          2HG2      THR  31  -2.272  -0.611  -0.611
  258    H    CYS  32           H        CYS  32  -0.432   2.408   2.408
  259    HA   CYS  32           HA       CYS  32   0.961   0.672   0.672
  260   1HB   CYS  32          2HB       CYS  32   1.358   1.177   1.177
  261   2HB   CYS  32          1HB       CYS  32   2.745   0.757   0.757
  262    H    GLY  33           H        GLY  33   1.254   3.470   3.470
  263   1HA   GLY  33          2HA       GLY  33   1.763   5.674   5.674
  264   2HA   GLY  33          1HA       GLY  33   2.868   4.815   4.815
  265    H    THR  34           H        THR  34   2.311   4.735   4.735
  266    HA   THR  34           HA       THR  34   5.164   5.484   5.484
  267    HB   THR  34           HB       THR  34   4.380   3.957   3.957
  268    HG1  THR  34          1HG       THR  34   3.172   2.426   2.426
  269   1HG2  THR  34          3HG2      THR  34   6.541   3.864   3.864
  270   2HG2  THR  34          2HG2      THR  34   5.630   2.977   2.977
  271   3HG2  THR  34          1HG2      THR  34   5.941   2.281   2.281
  272    H    CYS  35           HN       CYS  35   2.466   7.075   7.075
  273    HA   CYS  35           HA       CYS  35   3.141   8.501   8.501
  274   1HB   CYS  35          2HB       CYS  35   1.056   8.396   8.396
  275   2HB   CYS  35          1HB       CYS  35   0.940   7.034   7.034

  Start of MODEL   12
    1   1H    ARG   1          2H        ARG   1   0.688  15.449  15.449
    2   2H    ARG   1          1H        ARG   1   1.594  15.863  15.863
    3   3H    ARG   1          3H        ARG   1   1.054  17.080  17.080
    4    HA   ARG   1           HA       ARG   1  -0.891  17.252  17.252
    5   1HB   ARG   1          2HB       ARG   1   0.609  16.600  16.600
    6   2HB   ARG   1          1HB       ARG   1   0.189  14.925  14.925
    7   1HG   ARG   1          2HG       ARG   1  -2.019  15.169  15.169
    8   2HG   ARG   1          1HG       ARG   1  -2.044  16.914  16.914
    9   1HD   ARG   1          2HD       ARG   1  -0.261  15.494  15.494
   10   2HD   ARG   1          1HD       ARG   1  -1.894  16.024  16.024
   11    HE   ARG   1           HE       ARG   1  -1.125  18.382  18.382
   12   1HH1  ARG   1          1HH2      ARG   1   1.351  18.457  18.457
   13   2HH1  ARG   1          2HH2      ARG   1   2.489  18.498  18.498
   14   1HH2  ARG   1          1HH1      ARG   1   0.048  17.256  17.256
   15   2HH2  ARG   1          2HH1      ARG   1   1.692  17.748  17.748
   16    H    SER   2           H        SER   2  -2.847  15.377  15.377
   17    HA   SER   2           HA       SER   2  -3.316  14.020  14.020
   18   1HB   SER   2          2HB       SER   2  -5.286  14.966  14.966
   19   2HB   SER   2          1HB       SER   2  -4.912  13.768  13.768
   20    HG   SER   2           HG       SER   2  -6.305  13.338  13.338
   21    H    CYS   3           H        CYS   3  -3.886  11.936  11.936
   22    HA   CYS   3           HA       CYS   3  -2.540   9.992   9.992
   23   1HB   CYS   3          2HB       CYS   3  -2.169  10.595  10.595
   24   2HB   CYS   3          1HB       CYS   3  -1.924   8.949   8.949
   25    H    ILE   4           H        ILE   4  -4.134   8.378   8.378
   26    HA   ILE   4           HA       ILE   4  -5.952   7.813   7.813
   27    HB   ILE   4           HB       ILE   4  -7.904   7.883   7.883
   28   1HG1  ILE   4          2HG1      ILE   4  -7.263   9.167   9.167
   29   2HG1  ILE   4          1HG1      ILE   4  -5.819   8.211   8.211
   30   1HG2  ILE   4          2HG2      ILE   4  -7.327   9.992   9.992
   31   2HG2  ILE   4          1HG2      ILE   4  -6.306  10.478  10.478
   32   3HG2  ILE   4          3HG2      ILE   4  -8.032  10.311  10.311
   33   1HD1  ILE   4          2HD1      ILE   4  -8.634   7.058   7.058
   34   2HD1  ILE   4          1HD1      ILE   4  -7.502   6.954   6.954
   35   3HD1  ILE   4          3HD1      ILE   4  -7.154   6.134   6.134
   36    H    ASP   5           H        ASP   5  -6.482   5.588   5.588
   37    HA   ASP   5           HA       ASP   5  -4.805   3.905   3.905
   38   1HB   ASP   5          2HB       ASP   5  -6.830   3.094   3.094
   39   2HB   ASP   5          1HB       ASP   5  -5.508   2.121   2.121
   40    H    THR   6           H        THR   6  -5.853   2.151   2.151
   41    HA   THR   6           HA       THR   6  -8.758   2.365   2.365
   42    HB   THR   6           HB       THR   6  -7.457   4.003   4.003
   43    HG1  THR   6          1HG       THR   6  -9.185   3.444   3.444
   44   1HG2  THR   6          3HG2      THR   6  -5.428   2.506   2.506
   45   2HG2  THR   6          2HG2      THR   6  -6.451   1.393   1.393
   46   3HG2  THR   6          1HG2      THR   6  -6.158   3.007   3.007
   47    H    ILE   7           H        ILE   7  -6.920   0.736   0.736
   48    HA   ILE   7           HA       ILE   7  -7.257  -1.855  -1.855
   49    HB   ILE   7           HB       ILE   7  -4.910  -0.736  -0.736
   50   1HG1  ILE   7          2HG1      ILE   7  -3.648  -2.715  -2.715
   51   2HG1  ILE   7          1HG1      ILE   7  -5.116  -3.444  -3.444
   52   1HG2  ILE   7          1HG2      ILE   7  -5.130   0.174   0.174
   53   2HG2  ILE   7          3HG2      ILE   7  -5.111  -1.464  -1.464
   54   3HG2  ILE   7          2HG2      ILE   7  -3.710  -0.818  -0.818
   55   1HD1  ILE   7          3HD1      ILE   7  -4.491  -2.617  -2.617
   56   2HD1  ILE   7          2HD1      ILE   7  -4.536  -4.270  -4.270
   57   3HD1  ILE   7          1HD1      ILE   7  -6.010  -3.325  -3.325
   58    HA   PRO   8           HA       PRO   8  -8.405  -2.886  -2.886
   59   1HB   PRO   8          2HB       PRO   8  -8.691  -5.496  -5.496
   60   2HB   PRO   8          1HB       PRO   8  -9.763  -4.563  -4.563
   61   1HG   PRO   8          2HG       PRO   8  -7.068  -5.774  -5.774
   62   2HG   PRO   8          1HG       PRO   8  -8.655  -6.087  -6.087
   63   1HD   PRO   8          2HD       PRO   8  -7.091  -4.107  -4.107
   64   2HD   PRO   8          1HD       PRO   8  -8.847  -3.884  -3.884
   65    H    LYS   9           H        LYS   9  -7.048  -2.657  -2.657
   66    HA   LYS   9           HA       LYS   9  -4.271  -2.687  -2.687
   67   1HB   LYS   9          2HB       LYS   9  -4.192  -2.795  -2.795
   68   2HB   LYS   9          1HB       LYS   9  -5.565  -1.790  -1.790
   69   1HG   LYS   9          2HG       LYS   9  -7.021  -2.994  -2.994
   70   2HG   LYS   9          1HG       LYS   9  -6.509  -4.529  -4.529
   71   1HD   LYS   9          2HD       LYS   9  -4.787  -3.040  -3.040
   72   2HD   LYS   9          1HD       LYS   9  -6.158  -3.946  -3.946
   73   1HE   LYS   9          2HE       LYS   9  -4.017  -5.241  -5.241
   74   2HE   LYS   9          1HE       LYS   9  -3.812  -5.163  -5.163
   75   1HZ   LYS   9          3HZ       LYS   9  -6.427  -6.103  -6.103
   76   2HZ   LYS   9          2HZ       LYS   9  -5.344  -6.992  -6.992
   77   3HZ   LYS   9          1HZ       LYS   9  -5.127  -6.909  -6.909
   78    H    SER  10           H        SER  10  -6.428  -5.124  -5.124
   79    HA   SER  10           HA       SER  10  -4.899  -7.307  -7.307
   80   1HB   SER  10          2HB       SER  10  -6.573  -8.710  -8.710
   81   2HB   SER  10          1HB       SER  10  -7.309  -7.663  -7.663
   82    HG   SER  10           HG       SER  10  -7.455  -7.423  -7.423
   83    H    ARG  11           H        ARG  11  -5.102  -6.012  -6.012
   84    HA   ARG  11           HA       ARG  11  -3.384  -8.100  -8.100
   85   1HB   ARG  11          2HB       ARG  11  -5.245  -6.515  -6.515
   86   2HB   ARG  11          1HB       ARG  11  -3.897  -5.409  -5.409
   87   1HG   ARG  11          2HG       ARG  11  -3.963  -6.661  -6.661
   88   2HG   ARG  11          1HG       ARG  11  -2.544  -7.076  -7.076
   89   1HD   ARG  11          2HD       ARG  11  -3.664  -9.144  -9.144
   90   2HD   ARG  11          1HD       ARG  11  -5.086  -8.743  -8.743
   91    HE   ARG  11           HE       ARG  11  -2.355  -9.117  -9.117
   92   1HH1  ARG  11          1HH2      ARG  11  -4.475  -8.392  -8.392
   93   2HH1  ARG  11          2HH2      ARG  11  -5.093  -9.855  -9.855
   94   1HH2  ARG  11          2HH1      ARG  11  -3.575 -11.684 -11.684
   95   2HH2  ARG  11          1HH1      ARG  11  -4.543 -11.910 -11.910
   96    H    CYS  12           H        CYS  12  -3.137  -5.086  -5.086
   97    HA   CYS  12           HA       CYS  12  -0.247  -4.711  -4.711
   98   1HB   CYS  12          2HB       CYS  12  -2.199  -2.921  -2.921
   99   2HB   CYS  12          1HB       CYS  12  -0.739  -2.464  -2.464
  100    H    THR  13           H        THR  13  -1.441  -6.785  -6.785
  101    HA   THR  13           HA       THR  13  -1.403  -6.221  -6.221
  102    HB   THR  13           HB       THR  13  -2.373  -8.360  -8.360
  103    HG1  THR  13          1HG       THR  13  -0.518  -9.771  -9.771
  104   1HG2  THR  13          2HG2      THR  13   0.409  -9.025  -9.025
  105   2HG2  THR  13          1HG2      THR  13  -0.998 -10.093 -10.093
  106   3HG2  THR  13          3HG2      THR  13  -1.011  -8.635  -8.635
  107    H    ALA  14           H        ALA  14   0.345  -7.069  -7.069
  108    HA   ALA  14           HA       ALA  14   2.744  -5.623  -5.623
  109   1HB   ALA  14          1HB       ALA  14   2.086  -6.482  -6.482
  110   2HB   ALA  14          3HB       ALA  14   2.404  -8.128  -8.128
  111   3HB   ALA  14          2HB       ALA  14   3.721  -6.970  -6.970
  112    H    PHE  15           H        PHE  15   1.687  -8.632  -8.632
  113    HA   PHE  15           HA       PHE  15   4.221  -9.805  -9.805
  114   1HB   PHE  15          2HB       PHE  15   1.738 -10.596 -10.596
  115   2HB   PHE  15          1HB       PHE  15   2.984 -11.584 -11.584
  116    HD1  PHE  15          2HD       PHE  15   2.608 -10.147 -10.147
  117    HD2  PHE  15          1HD       PHE  15   0.015 -12.073 -12.073
  118    HE1  PHE  15          2HE       PHE  15   1.079 -10.724 -10.724
  119    HE2  PHE  15          1HE       PHE  15  -1.503 -12.647 -12.647
  120    HZ   PHE  15           HZ       PHE  15  -0.981 -11.973 -11.973
  121    H    GLN  16           H        GLN  16   1.970  -7.684  -7.684
  122    HA   GLN  16           HA       GLN  16   3.705  -7.833  -7.833
  123   1HB   GLN  16          2HB       GLN  16   0.874  -6.715  -6.715
  124   2HB   GLN  16          1HB       GLN  16   1.657  -7.196  -7.196
  125   1HG   GLN  16          2HG       GLN  16   1.848  -9.467  -9.467
  126   2HG   GLN  16          1HG       GLN  16   0.235  -8.826  -8.826
  127   1HE2  GLN  16          2HE2      GLN  16   1.471 -10.612 -10.612
  128   2HE2  GLN  16          1HE2      GLN  16   2.635 -10.163 -10.163
  129    H    CYS  17           H        CYS  17   2.530  -5.859  -5.859
  130    HA   CYS  17           HA       CYS  17   2.984  -3.190  -3.190
  131   1HB   CYS  17          2HB       CYS  17   2.005  -4.035  -4.035
  132   2HB   CYS  17          1HB       CYS  17   3.616  -4.235  -4.235
  133    H    LYS  18           H        LYS  18   5.148  -5.607  -5.607
  134    HA   LYS  18           HA       LYS  18   7.445  -3.695  -3.695
  135   1HB   LYS  18          2HB       LYS  18   7.144  -4.554  -4.554
  136   2HB   LYS  18          1HB       LYS  18   7.370  -6.193  -6.193
  137   1HG   LYS  18          2HG       LYS  18   9.664  -5.976  -5.976
  138   2HG   LYS  18          1HG       LYS  18   9.573  -4.320  -4.320
  139   1HD   LYS  18          2HD       LYS  18  10.617  -4.406  -4.406
  140   2HD   LYS  18          1HD       LYS  18   9.100  -3.524  -3.524
  141   1HE   LYS  18          2HE       LYS  18   8.013  -5.775  -5.775
  142   2HE   LYS  18          1HE       LYS  18   9.654  -6.367  -6.367
  143   1HZ   LYS  18          1HZ       LYS  18   9.448  -3.829  -3.829
  144   2HZ   LYS  18          3HZ       LYS  18   8.156  -4.777  -4.777
  145   3HZ   LYS  18          2HZ       LYS  18   9.751  -5.323  -5.323
  146    H    HIS  19           H        HIS  19   5.840  -5.768  -5.768
  147    HA   HIS  19           HA       HIS  19   8.233  -6.724  -6.724
  148   1HB   HIS  19          2HB       HIS  19   5.923  -8.499  -8.499
  149   2HB   HIS  19          1HB       HIS  19   7.083  -8.947  -8.947
  150    HD1  HIS  19          1HD       HIS  19   9.635  -8.716  -8.716
  151    HD2  HIS  19          2HD       HIS  19   6.790  -9.090  -9.090
  152    HE1  HIS  19          1HE       HIS  19  10.754  -9.461  -9.461
  153    H    SER  20           H        SER  20   4.712  -6.466  -6.466
  154    HA   SER  20           HA       SER  20   4.789  -6.555  -6.555
  155   1HB   SER  20          2HB       SER  20   2.468  -5.999  -5.999
  156   2HB   SER  20          1HB       SER  20   2.389  -6.623  -6.623
  157    HG   SER  20           HG       SER  20   2.445  -8.479  -8.479
  158    H    MET  21           H        MET  21   6.025  -4.547  -4.547
  159    HA   MET  21           HA       MET  21   4.984  -1.941  -1.941
  160   1HB   MET  21          2HB       MET  21   6.782  -2.908  -2.908
  161   2HB   MET  21          1HB       MET  21   6.183  -1.264  -1.264
  162   1HG   MET  21          2HG       MET  21   7.148  -1.726  -1.726
  163   2HG   MET  21          1HG       MET  21   8.326  -2.390  -2.390
  164   1HE   MET  21          1HE       MET  21   5.841   0.290   0.290
  165   2HE   MET  21          3HE       MET  21   6.727   1.626   1.626
  166   3HE   MET  21          2HE       MET  21   6.535   1.484   1.484
  167   1HN   DNP  22           HN       DAP  22   3.667  -4.162  -4.162
  168    HA   DNP  22           HA       DAP  22   2.429  -2.136  -2.136
  169   1HB   DNP  22          1HB       DAP  22   0.738  -3.760  -3.760
  170   2HB   DNP  22          2HB       DAP  22   1.021  -4.676  -4.676
  171   1HG   DNP  22          1HG       DAP  22   2.602  -5.835  -5.835
  172   2HG   DNP  22          2HG       DAP  22   3.475  -4.399  -4.399
  173   3HG   DNP  22          3HG       DAP  22   2.343  -4.907  -4.907
  174    H    TYR  23           H        TYR  23   1.378  -3.618  -3.618
  175    HA   TYR  23           HA       TYR  23  -0.818  -1.686  -1.686
  176   1HB   TYR  23          2HB       TYR  23  -0.050  -3.378  -3.378
  177   2HB   TYR  23          1HB       TYR  23  -1.624  -2.955  -2.955
  178    HD1  TYR  23          2HD       TYR  23  -2.029  -3.947  -3.947
  179    HD2  TYR  23          1HD       TYR  23   0.375  -5.671  -5.671
  180    HE1  TYR  23          2HE       TYR  23  -2.298  -6.150  -6.150
  181    HE2  TYR  23          1HE       TYR  23   0.115  -7.848  -7.848
  182    HH   TYR  23           HH       TYR  23  -0.732  -8.439  -8.439
  183    H    ARG  24           H        ARG  24   2.186  -2.337  -2.337
  184    HA   ARG  24           HA       ARG  24   2.312  -0.085  -0.085
  185   1HB   ARG  24          2HB       ARG  24   3.622  -2.580  -2.580
  186   2HB   ARG  24          1HB       ARG  24   4.876  -1.399  -1.399
  187   1HG   ARG  24          2HG       ARG  24   2.859  -1.632  -1.632
  188   2HG   ARG  24          1HG       ARG  24   4.416  -2.429  -2.429
  189   1HD   ARG  24          2HD       ARG  24   3.786   0.515   0.515
  190   2HD   ARG  24          1HD       ARG  24   4.895  -0.480  -0.480
  191    HE   ARG  24           HE       ARG  24   5.466   0.514   0.514
  192   1HH1  ARG  24          2HH1      ARG  24   6.436  -1.691  -1.691
  193   2HH1  ARG  24          1HH1      ARG  24   8.051  -1.186  -1.186
  194   1HH2  ARG  24          1HH2      ARG  24   7.292   1.964   1.964
  195   2HH2  ARG  24          2HH2      ARG  24   8.567   1.134   1.134
  196    H    LEU  25           H        LEU  25   2.007   0.433   0.433
  197    HA   LEU  25           HA       LEU  25   4.337   2.243   2.243
  198   1HB   LEU  25          2HB       LEU  25   4.076   0.779   0.779
  199   2HB   LEU  25          1HB       LEU  25   2.393   0.722   0.722
  200    HG   LEU  25           HG       LEU  25   2.467   3.107   3.107
  201   1HD1  LEU  25          1HD1      LEU  25   5.491   2.649   2.649
  202   2HD1  LEU  25          3HD1      LEU  25   4.659   3.999   3.999
  203   3HD1  LEU  25          2HD1      LEU  25   4.646   3.826   3.826
  204   1HD2  LEU  25          1HD2      LEU  25   4.207   1.017   1.017
  205   2HD2  LEU  25          3HD2      LEU  25   2.456   1.096   1.096
  206   3HD2  LEU  25          2HD2      LEU  25   3.426   2.373   2.373
  207    H    SER  26           H        SER  26   1.012   2.154   2.154
  208    HA   SER  26           HA       SER  26   0.531   4.701   4.701
  209   1HB   SER  26          2HB       SER  26   1.326   5.230   5.230
  210   2HB   SER  26          1HB       SER  26  -0.122   4.383   4.383
  211    HG   SER  26           HG       SER  26   0.009   6.852   6.852
  212    H    PHE  27           H        PHE  27  -0.284   1.696   1.696
  213    HA   PHE  27           HA       PHE  27  -3.234   2.237   2.237
  214   1HB   PHE  27          2HB       PHE  27  -2.078  -0.410  -0.410
  215   2HB   PHE  27          1HB       PHE  27  -3.660  -0.058  -0.058
  216    HD1  PHE  27          1HD       PHE  27  -1.368   1.769   1.769
  217    HD2  PHE  27          2HD       PHE  27  -2.948  -2.121  -2.121
  218    HE1  PHE  27          1HE       PHE  27  -0.769   1.076   1.076
  219    HE2  PHE  27          2HE       PHE  27  -2.343  -2.797  -2.797
  220    HZ   PHE  27           HZ       PHE  27  -1.253  -1.207  -1.207
  221    H    CYS  28           H        CYS  28  -1.010   1.218   1.218
  222    HA   CYS  28           HA       CYS  28  -3.220   1.674   1.674
  223   1HB   CYS  28          2HB       CYS  28  -0.692   0.390   0.390
  224   2HB   CYS  28          1HB       CYS  28  -2.341  -0.179  -0.179
  225    H    ARG  29           H        ARG  29  -2.268   3.769   3.769
  226    HA   ARG  29           HA       ARG  29  -0.079   5.259   5.259
  227   1HB   ARG  29          2HB       ARG  29  -2.909   5.837   5.837
  228   2HB   ARG  29          1HB       ARG  29  -1.984   6.946   6.946
  229   1HG   ARG  29          2HG       ARG  29  -2.161   8.083   8.083
  230   2HG   ARG  29          1HG       ARG  29  -0.538   7.456   7.456
  231   1HD   ARG  29          2HD       ARG  29  -0.929   5.925   5.925
  232   2HD   ARG  29          1HD       ARG  29  -2.666   5.886   5.886
  233    HE   ARG  29           HE       ARG  29  -1.286   8.344   8.344
  234   1HH1  ARG  29          1HH2      ARG  29  -3.727   9.274   9.274
  235   2HH1  ARG  29          2HH2      ARG  29  -4.660   8.429   8.429
  236   1HH2  ARG  29          2HH1      ARG  29  -2.237   5.834   5.834
  237   2HH2  ARG  29          1HH1      ARG  29  -3.752   6.278   6.278
  238    H    LYS  30           H        LYS  30  -2.551   5.192   5.192
  239    HA   LYS  30           HA       LYS  30  -0.748   6.087   6.087
  240   1HB   LYS  30          2HB       LYS  30  -3.790   5.747   5.747
  241   2HB   LYS  30          1HB       LYS  30  -2.984   6.310   6.310
  242   1HG   LYS  30          2HG       LYS  30  -2.459   7.652   7.652
  243   2HG   LYS  30          1HG       LYS  30  -3.916   8.055   8.055
  244   1HD   LYS  30          2HD       LYS  30  -2.588   8.646   8.646
  245   2HD   LYS  30          1HD       LYS  30  -1.102   8.122   8.122
  246   1HE   LYS  30          2HE       LYS  30  -1.176   9.945   9.945
  247   2HE   LYS  30          1HE       LYS  30  -2.781  10.464  10.464
  248   1HZ   LYS  30          3HZ       LYS  30  -1.057  10.224  10.224
  249   2HZ   LYS  30          2HZ       LYS  30  -0.293  11.171  11.171
  250   3HZ   LYS  30          1HZ       LYS  30  -1.823  11.622  11.622
  251    H    THR  31           H        THR  31  -3.154   3.697   3.697
  252    HA   THR  31           HA       THR  31  -3.143   2.047   2.047
  253    HB   THR  31           HB       THR  31  -3.186   1.374   1.374
  254    HG1  THR  31          1HG       THR  31  -4.987   2.418   2.418
  255   1HG2  THR  31          1HG2      THR  31  -3.859  -0.455  -0.455
  256   2HG2  THR  31          3HG2      THR  31  -4.071  -0.757  -0.757
  257   3HG2  THR  31          2HG2      THR  31  -2.452  -0.716  -0.716
  258    H    CYS  32           H        CYS  32  -0.421   2.227   2.227
  259    HA   CYS  32           HA       CYS  32   1.039   0.502   0.502
  260   1HB   CYS  32          2HB       CYS  32   0.754  -0.659  -0.659
  261   2HB   CYS  32          1HB       CYS  32   1.510   0.693   0.693
  262    H    GLY  33           H        GLY  33   1.137   3.183   3.183
  263   1HA   GLY  33          2HA       GLY  33   2.241   5.295   5.295
  264   2HA   GLY  33          1HA       GLY  33   3.431   4.313   4.313
  265    H    THR  34           H        THR  34   2.053   4.529   4.529
  266    HA   THR  34           HA       THR  34   4.700   3.887   3.887
  267    HB   THR  34           HB       THR  34   3.447   3.318   3.318
  268    HG1  THR  34          1HG       THR  34   2.040   4.750   4.750
  269   1HG2  THR  34          2HG2      THR  34   2.752   1.816   1.816
  270   2HG2  THR  34          1HG2      THR  34   1.407   2.893   2.893
  271   3HG2  THR  34          3HG2      THR  34   1.499   1.969   1.969
  272    H    CYS  35           HN       CYS  35   2.299   6.508   6.508
  273    HA   CYS  35           HA       CYS  35   4.037   8.241   8.241
  274   1HB   CYS  35          2HB       CYS  35   2.022   9.588   9.588
  275   2HB   CYS  35          1HB       CYS  35   1.638   7.965   7.965

  Start of MODEL   13
    1   1H    ARG   1          2H        ARG   1  -3.623  16.752  16.752
    2   2H    ARG   1          1H        ARG   1  -3.098  18.342  18.342
    3   3H    ARG   1          3H        ARG   1  -2.283  17.036  17.036
    4    HA   ARG   1           HA       ARG   1  -0.932  16.823  16.823
    5   1HB   ARG   1          2HB       ARG   1  -2.705  19.005  19.005
    6   2HB   ARG   1          1HB       ARG   1  -1.128  18.528  18.528
    7   1HG   ARG   1          2HG       ARG   1  -0.048  19.350  19.350
    8   2HG   ARG   1          1HG       ARG   1  -1.602  19.777  19.777
    9   1HD   ARG   1          2HD       ARG   1  -2.005  21.407  21.407
   10   2HD   ARG   1          1HD       ARG   1  -0.463  20.977  20.977
   11    HE   ARG   1           HE       ARG   1  -0.670  22.175  22.175
   12   1HH1  ARG   1          1HH1      ARG   1   1.905  21.129  21.129
   13   2HH1  ARG   1          2HH1      ARG   1   2.740  22.476  22.476
   14   1HH2  ARG   1          1HH2      ARG   1  -0.351  24.220  24.220
   15   2HH2  ARG   1          2HH2      ARG   1   1.338  24.397  24.397
   16    H    SER   2           H        SER   2  -2.498  14.884  14.884
   17    HA   SER   2           HA       SER   2  -3.457  14.163  14.163
   18   1HB   SER   2          2HB       SER   2  -5.634  13.421  13.421
   19   2HB   SER   2          1HB       SER   2  -5.586  14.915  14.915
   20    HG   SER   2           HG       SER   2  -5.645  14.694  14.694
   21    H    CYS   3           H        CYS   3  -3.809  11.926  11.926
   22    HA   CYS   3           HA       CYS   3  -2.547  10.244  10.244
   23   1HB   CYS   3          2HB       CYS   3  -1.751  10.731  10.731
   24   2HB   CYS   3          1HB       CYS   3  -1.769   9.037   9.037
   25    H    ILE   4           H        ILE   4  -4.399   9.130   9.130
   26    HA   ILE   4           HA       ILE   4  -6.049   7.904   7.904
   27    HB   ILE   4           HB       ILE   4  -7.967   8.050   8.050
   28   1HG1  ILE   4          2HG1      ILE   4  -7.540   9.452   9.452
   29   2HG1  ILE   4          1HG1      ILE   4  -5.947   8.737   8.737
   30   1HG2  ILE   4          1HG2      ILE   4  -7.521  10.106  10.106
   31   2HG2  ILE   4          3HG2      ILE   4  -6.494  10.717  10.717
   32   3HG2  ILE   4          2HG2      ILE   4  -8.218  10.492  10.492
   33   1HD1  ILE   4          1HD1      ILE   4  -7.002   6.438   6.438
   34   2HD1  ILE   4          3HD1      ILE   4  -8.577   7.183   7.183
   35   3HD1  ILE   4          2HD1      ILE   4  -7.451   7.309   7.309
   36    H    ASP   5           H        ASP   5  -6.275   5.802   5.802
   37    HA   ASP   5           HA       ASP   5  -4.611   4.170   4.170
   38   1HB   ASP   5          2HB       ASP   5  -6.645   3.474   3.474
   39   2HB   ASP   5          1HB       ASP   5  -5.326   2.479   2.479
   40    H    THR   6           H        THR   6  -5.564   2.311   2.311
   41    HA   THR   6           HA       THR   6  -8.378   2.553   2.553
   42    HB   THR   6           HB       THR   6  -7.473   2.026   2.026
   43    HG1  THR   6          1HG       THR   6  -5.524   1.242   1.242
   44   1HG2  THR   6          1HG2      THR   6  -7.600   4.527   4.527
   45   2HG2  THR   6          3HG2      THR   6  -5.936   4.373   4.373
   46   3HG2  THR   6          2HG2      THR   6  -6.330   4.217   4.217
   47    H    ILE   7           H        ILE   7  -6.689   0.928   0.928
   48    HA   ILE   7           HA       ILE   7  -7.459  -1.730  -1.730
   49    HB   ILE   7           HB       ILE   7  -5.056  -1.180  -1.180
   50   1HG1  ILE   7          2HG1      ILE   7  -3.997  -3.021  -3.021
   51   2HG1  ILE   7          1HG1      ILE   7  -5.541  -3.351  -3.351
   52   1HG2  ILE   7          1HG2      ILE   7  -4.895   0.272   0.272
   53   2HG2  ILE   7          3HG2      ILE   7  -5.016  -1.172  -1.172
   54   3HG2  ILE   7          2HG2      ILE   7  -3.647  -0.939  -0.939
   55   1HD1  ILE   7          3HD1      ILE   7  -6.496  -3.688  -3.688
   56   2HD1  ILE   7          2HD1      ILE   7  -4.884  -3.419  -3.419
   57   3HD1  ILE   7          1HD1      ILE   7  -5.222  -4.823  -4.823
   58    HA   PRO   8           HA       PRO   8  -8.645  -3.001  -3.001
   59   1HB   PRO   8          2HB       PRO   8  -8.275  -5.655  -5.655
   60   2HB   PRO   8          1HB       PRO   8  -9.751  -4.855  -4.855
   61   1HG   PRO   8          2HG       PRO   8  -7.126  -5.226  -5.226
   62   2HG   PRO   8          1HG       PRO   8  -8.719  -5.874  -5.874
   63   1HD   PRO   8          2HD       PRO   8  -8.169  -3.555  -3.555
   64   2HD   PRO   8          1HD       PRO   8  -9.664  -3.592  -3.592
   65    H    LYS   9           H        LYS   9  -7.228  -2.471  -2.471
   66    HA   LYS   9           HA       LYS   9  -4.460  -2.521  -2.521
   67   1HB   LYS   9          2HB       LYS   9  -5.851  -1.579  -1.579
   68   2HB   LYS   9          1HB       LYS   9  -6.159  -3.194  -3.194
   69   1HG   LYS   9          2HG       LYS   9  -3.271  -2.412  -2.412
   70   2HG   LYS   9          1HG       LYS   9  -4.169  -1.770  -1.770
   71   1HD   LYS   9          2HD       LYS   9  -4.510  -3.978  -3.978
   72   2HD   LYS   9          1HD       LYS   9  -4.052  -4.760  -4.760
   73   1HE   LYS   9          2HE       LYS   9  -2.163  -4.831  -4.831
   74   2HE   LYS   9          1HE       LYS   9  -1.719  -3.957  -3.957
   75   1HZ   LYS   9          2HZ       LYS   9  -2.902  -2.153  -2.153
   76   2HZ   LYS   9          1HZ       LYS   9  -1.643  -2.987  -2.987
   77   3HZ   LYS   9          3HZ       LYS   9  -1.356  -2.114  -2.114
   78    H    SER  10           H        SER  10  -6.671  -4.963  -4.963
   79    HA   SER  10           HA       SER  10  -5.239  -7.087  -7.087
   80   1HB   SER  10          2HB       SER  10  -7.780  -6.951  -6.951
   81   2HB   SER  10          1HB       SER  10  -7.119  -7.598  -7.598
   82    HG   SER  10           HG       SER  10  -7.670  -8.955  -8.955
   83    H    ARG  11           H        ARG  11  -5.216  -5.953  -5.953
   84    HA   ARG  11           HA       ARG  11  -3.374  -8.049  -8.049
   85   1HB   ARG  11          2HB       ARG  11  -5.113  -6.472  -6.472
   86   2HB   ARG  11          1HB       ARG  11  -3.724  -5.427  -5.427
   87   1HG   ARG  11          2HG       ARG  11  -3.601  -6.832  -6.832
   88   2HG   ARG  11          1HG       ARG  11  -2.288  -7.237  -7.237
   89   1HD   ARG  11          2HD       ARG  11  -3.850  -9.143  -9.143
   90   2HD   ARG  11          1HD       ARG  11  -4.879  -8.757  -8.757
   91    HE   ARG  11           HE       ARG  11  -1.962  -9.569  -9.569
   92   1HH1  ARG  11          1HH2      ARG  11  -2.378  -8.991  -8.991
   93   2HH1  ARG  11          2HH2      ARG  11  -3.293 -10.244 -10.244
   94   1HH2  ARG  11          2HH1      ARG  11  -4.298 -11.530 -11.530
   95   2HH2  ARG  11          1HH1      ARG  11  -4.466 -11.804 -11.804
   96    H    CYS  12           H        CYS  12  -3.236  -5.044  -5.044
   97    HA   CYS  12           HA       CYS  12  -0.341  -4.626  -4.626
   98   1HB   CYS  12          2HB       CYS  12  -2.348  -2.945  -2.945
   99   2HB   CYS  12          1HB       CYS  12  -0.875  -2.418  -2.418
  100    H    THR  13           H        THR  13  -1.317  -6.789  -6.789
  101    HA   THR  13           HA       THR  13  -1.247  -6.413  -6.413
  102    HB   THR  13           HB       THR  13  -2.274  -8.491  -8.491
  103    HG1  THR  13          1HG       THR  13  -1.125  -9.874  -9.874
  104   1HG2  THR  13          3HG2      THR  13   0.405  -9.091  -9.091
  105   2HG2  THR  13          2HG2      THR  13  -0.966 -10.194 -10.194
  106   3HG2  THR  13          1HG2      THR  13  -1.102  -8.714  -8.714
  107    H    ALA  14           H        ALA  14   0.443  -7.156  -7.156
  108    HA   ALA  14           HA       ALA  14   2.820  -5.731  -5.731
  109   1HB   ALA  14          3HB       ALA  14   2.446  -8.456  -8.456
  110   2HB   ALA  14          2HB       ALA  14   3.745  -7.322  -7.322
  111   3HB   ALA  14          1HB       ALA  14   2.095  -6.901  -6.901
  112    H    PHE  15           H        PHE  15   1.964  -8.776  -8.776
  113    HA   PHE  15           HA       PHE  15   4.492  -9.765  -9.765
  114   1HB   PHE  15          2HB       PHE  15   1.923 -10.401 -10.401
  115   2HB   PHE  15          1HB       PHE  15   3.287 -11.433 -11.433
  116    HD1  PHE  15          2HD       PHE  15   3.307 -10.498 -10.498
  117    HD2  PHE  15          1HD       PHE  15   0.410 -12.107 -12.107
  118    HE1  PHE  15          2HE       PHE  15   2.101 -11.470 -11.470
  119    HE2  PHE  15          1HE       PHE  15  -0.796 -13.081 -13.081
  120    HZ   PHE  15           HZ       PHE  15   0.041 -12.770 -12.770
  121    H    GLN  16           H        GLN  16   2.076  -7.815  -7.815
  122    HA   GLN  16           HA       GLN  16   3.809  -7.679  -7.679
  123   1HB   GLN  16          2HB       GLN  16   1.035  -6.533  -6.533
  124   2HB   GLN  16          1HB       GLN  16   1.832  -7.153  -7.153
  125   1HG   GLN  16          2HG       GLN  16   1.858  -9.359  -9.359
  126   2HG   GLN  16          1HG       GLN  16   0.318  -8.603  -8.603
  127   1HE2  GLN  16          2HE2      GLN  16   1.077 -10.735 -10.735
  128   2HE2  GLN  16          1HE2      GLN  16   2.307 -10.422 -10.422
  129    H    CYS  17           H        CYS  17   2.882  -5.900  -5.900
  130    HA   CYS  17           HA       CYS  17   3.141  -3.203  -3.203
  131   1HB   CYS  17          2HB       CYS  17   2.144  -3.937  -3.937
  132   2HB   CYS  17          1HB       CYS  17   3.747  -4.102  -4.102
  133    H    LYS  18           H        LYS  18   5.295  -5.556  -5.556
  134    HA   LYS  18           HA       LYS  18   7.631  -3.651  -3.651
  135   1HB   LYS  18          2HB       LYS  18   7.318  -4.960  -4.960
  136   2HB   LYS  18          1HB       LYS  18   7.723  -6.411  -6.411
  137   1HG   LYS  18          2HG       LYS  18   9.636  -4.102  -4.102
  138   2HG   LYS  18          1HG       LYS  18   9.544  -4.832  -4.832
  139   1HD   LYS  18          2HD       LYS  18  10.055  -7.082  -7.082
  140   2HD   LYS  18          1HD       LYS  18  10.067  -6.361  -6.361
  141   1HE   LYS  18          2HE       LYS  18  12.369  -6.704  -6.704
  142   2HE   LYS  18          1HE       LYS  18  12.041  -5.015  -5.015
  143   1HZ   LYS  18          2HZ       LYS  18  11.269  -5.531  -5.531
  144   2HZ   LYS  18          1HZ       LYS  18  12.849  -6.155  -6.155
  145   3HZ   LYS  18          3HZ       LYS  18  12.522  -4.526  -4.526
  146    H    HIS  19           H        HIS  19   6.013  -6.205  -6.205
  147    HA   HIS  19           HA       HIS  19   8.322  -6.588  -6.588
  148   1HB   HIS  19          2HB       HIS  19   6.371  -8.717  -8.717
  149   2HB   HIS  19          1HB       HIS  19   7.636  -8.942  -8.942
  150    HD1  HIS  19          1HD       HIS  19  10.097  -8.304  -8.304
  151    HD2  HIS  19          2HD       HIS  19   7.240  -9.140  -9.140
  152    HE1  HIS  19          1HE       HIS  19  11.245  -8.867  -8.867
  153    H    SER  20           H        SER  20   4.820  -6.125  -6.125
  154    HA   SER  20           HA       SER  20   4.927  -6.737  -6.737
  155   1HB   SER  20          2HB       SER  20   2.533  -6.026  -6.026
  156   2HB   SER  20          1HB       SER  20   2.570  -6.806  -6.806
  157    HG   SER  20           HG       SER  20   4.242  -8.101  -8.101
  158    H    MET  21           H        MET  21   6.209  -4.824  -4.824
  159    HA   MET  21           HA       MET  21   5.053  -2.190  -2.190
  160   1HB   MET  21          2HB       MET  21   7.260  -3.325  -3.325
  161   2HB   MET  21          1HB       MET  21   6.867  -1.628  -1.628
  162   1HG   MET  21          2HG       MET  21   8.046  -3.290  -3.290
  163   2HG   MET  21          1HG       MET  21   8.692  -1.875  -1.875
  164   1HE   MET  21          2HE       MET  21   7.175   0.256   0.256
  165   2HE   MET  21          1HE       MET  21   5.526  -0.068  -0.068
  166   3HE   MET  21          3HE       MET  21   6.563   1.007   1.007
  167   1HN   DNP  22           HN       DAP  22   3.034  -2.706  -2.706
  168    HA   DNP  22           HA       DAP  22   2.304  -1.836  -1.836
  169   1HB   DNP  22          1HB       DAP  22   0.869  -3.806  -3.806
  170   2HB   DNP  22          2HB       DAP  22   1.238  -4.553  -4.553
  171   1HG   DNP  22          1HG       DAP  22   3.051  -5.503  -5.503
  172   2HG   DNP  22          2HG       DAP  22   3.661  -4.003  -4.003
  173   3HG   DNP  22          3HG       DAP  22   2.636  -4.860  -4.860
  174    H    TYR  23           H        TYR  23   1.221  -3.521  -3.521
  175    HA   TYR  23           HA       TYR  23  -1.068  -1.718  -1.718
  176   1HB   TYR  23          2HB       TYR  23  -0.071  -3.420  -3.420
  177   2HB   TYR  23          1HB       TYR  23  -1.705  -3.165  -3.165
  178    HD1  TYR  23          2HD       TYR  23  -1.676  -4.003  -4.003
  179    HD2  TYR  23          1HD       TYR  23   0.295  -5.773  -5.773
  180    HE1  TYR  23          2HE       TYR  23  -1.685  -6.166  -6.166
  181    HE2  TYR  23          1HE       TYR  23   0.305  -7.895  -7.895
  182    HH   TYR  23           HH       TYR  23   0.173  -8.783  -8.783
  183    H    ARG  24           H        ARG  24   1.877  -2.485  -2.485
  184    HA   ARG  24           HA       ARG  24   2.212  -0.291  -0.291
  185   1HB   ARG  24          2HB       ARG  24   3.404  -2.781  -2.781
  186   2HB   ARG  24          1HB       ARG  24   4.651  -1.659  -1.659
  187   1HG   ARG  24          2HG       ARG  24   3.216  -1.803  -1.803
  188   2HG   ARG  24          1HG       ARG  24   4.792  -2.520  -2.520
  189   1HD   ARG  24          2HD       ARG  24   4.054   0.423   0.423
  190   2HD   ARG  24          1HD       ARG  24   5.187  -0.496  -0.496
  191    HE   ARG  24           HE       ARG  24   5.614   0.175   0.175
  192   1HH1  ARG  24          2HH1      ARG  24   7.054  -1.974  -1.974
  193   2HH1  ARG  24          1HH1      ARG  24   8.581  -1.263  -1.263
  194   1HH2  ARG  24          1HH2      ARG  24   7.126   1.969   1.969
  195   2HH2  ARG  24          2HH2      ARG  24   8.605   1.255   1.255
  196    H    LEU  25           H        LEU  25   1.977   0.047   0.047
  197    HA   LEU  25           HA       LEU  25   4.256   1.895   1.895
  198   1HB   LEU  25          2HB       LEU  25   3.820  -0.031  -0.031
  199   2HB   LEU  25          1HB       LEU  25   2.298   0.561   0.561
  200    HG   LEU  25           HG       LEU  25   3.224   2.597   2.597
  201   1HD1  LEU  25          1HD1      LEU  25   5.965   1.425   1.425
  202   2HD1  LEU  25          3HD1      LEU  25   5.668   2.848   2.848
  203   3HD1  LEU  25          2HD1      LEU  25   5.279   2.875   2.875
  204   1HD2  LEU  25          3HD2      LEU  25   2.967   0.536   0.536
  205   2HD2  LEU  25          2HD2      LEU  25   4.339   1.477   1.477
  206   3HD2  LEU  25          1HD2      LEU  25   4.600   0.031   0.031
  207    H    SER  26           H        SER  26   1.013   1.737   1.737
  208    HA   SER  26           HA       SER  26   0.519   4.463   4.463
  209   1HB   SER  26          2HB       SER  26  -0.057   3.539   3.539
  210   2HB   SER  26          1HB       SER  26  -0.461   5.135   5.135
  211    HG   SER  26           HG       SER  26   2.094   4.632   4.632
  212    H    PHE  27           H        PHE  27  -0.415   1.535   1.535
  213    HA   PHE  27           HA       PHE  27  -3.346   2.333   2.333
  214   1HB   PHE  27          2HB       PHE  27  -2.546  -0.486  -0.486
  215   2HB   PHE  27          1HB       PHE  27  -4.062   0.155   0.155
  216    HD1  PHE  27          1HD       PHE  27  -2.401   1.854   1.854
  217    HD2  PHE  27          2HD       PHE  27  -2.843  -2.216  -2.216
  218    HE1  PHE  27          1HE       PHE  27  -1.845   1.122   1.122
  219    HE2  PHE  27          2HE       PHE  27  -2.289  -2.940  -2.940
  220    HZ   PHE  27           HZ       PHE  27  -1.788  -1.284  -1.284
  221    H    CYS  28           H        CYS  28  -1.024   1.168   1.168
  222    HA   CYS  28           HA       CYS  28  -3.248   1.643   1.643
  223   1HB   CYS  28          2HB       CYS  28  -0.741   0.371   0.371
  224   2HB   CYS  28          1HB       CYS  28  -2.399  -0.157  -0.157
  225    H    ARG  29           H        ARG  29  -2.223   3.715   3.715
  226    HA   ARG  29           HA       ARG  29  -0.036   5.185   5.185
  227   1HB   ARG  29          2HB       ARG  29  -2.904   5.891   5.891
  228   2HB   ARG  29          1HB       ARG  29  -1.760   7.030   7.030
  229   1HG   ARG  29          2HG       ARG  29  -2.180   7.859   7.859
  230   2HG   ARG  29          1HG       ARG  29  -0.582   7.154   7.154
  231   1HD   ARG  29          2HD       ARG  29  -1.223   5.262   5.262
  232   2HD   ARG  29          1HD       ARG  29  -2.942   5.608   5.608
  233    HE   ARG  29           HE       ARG  29  -1.001   7.302   7.302
  234   1HH1  ARG  29          1HH2      ARG  29  -2.759   9.137   9.137
  235   2HH1  ARG  29          2HH2      ARG  29  -4.134   8.632   8.632
  236   1HH2  ARG  29          2HH1      ARG  29  -3.244   5.232   5.232
  237   2HH2  ARG  29          1HH1      ARG  29  -4.429   6.246   6.246
  238    H    LYS  30           H        LYS  30  -2.652   5.166   5.166
  239    HA   LYS  30           HA       LYS  30  -0.863   6.089   6.089
  240   1HB   LYS  30          2HB       LYS  30  -3.879   5.511   5.511
  241   2HB   LYS  30          1HB       LYS  30  -3.057   6.236   6.236
  242   1HG   LYS  30          2HG       LYS  30  -3.114   7.359   7.359
  243   2HG   LYS  30          1HG       LYS  30  -4.269   7.828   7.828
  244   1HD   LYS  30          2HD       LYS  30  -1.971   8.226   8.226
  245   2HD   LYS  30          1HD       LYS  30  -1.290   8.346   8.346
  246   1HE   LYS  30          2HE       LYS  30  -2.982  10.185  10.185
  247   2HE   LYS  30          1HE       LYS  30  -3.534  10.087  10.087
  248   1HZ   LYS  30          1HZ       LYS  30  -0.761  10.227  10.227
  249   2HZ   LYS  30          3HZ       LYS  30  -1.229  11.432  11.432
  250   3HZ   LYS  30          2HZ       LYS  30  -1.867  11.410  11.410
  251    H    THR  31           H        THR  31  -3.225   3.706   3.706
  252    HA   THR  31           HA       THR  31  -3.275   1.989   1.989
  253    HB   THR  31           HB       THR  31  -2.990   1.445   1.445
  254    HG1  THR  31          1HG       THR  31  -4.828   2.402   2.402
  255   1HG2  THR  31          1HG2      THR  31  -4.150  -0.343  -0.343
  256   2HG2  THR  31          3HG2      THR  31  -4.185  -0.594  -0.594
  257   3HG2  THR  31          2HG2      THR  31  -2.652  -0.731  -0.731
  258    H    CYS  32           H        CYS  32  -0.546   2.205   2.205
  259    HA   CYS  32           HA       CYS  32   1.019   0.478   0.478
  260   1HB   CYS  32          2HB       CYS  32   0.686  -0.664  -0.664
  261   2HB   CYS  32          1HB       CYS  32   1.323   0.735   0.735
  262    H    GLY  33           H        GLY  33   1.021   3.160   3.160
  263   1HA   GLY  33          2HA       GLY  33   2.032   5.329   5.329
  264   2HA   GLY  33          1HA       GLY  33   3.264   4.402   4.402
  265    H    THR  34           H        THR  34   1.880   4.376   4.376
  266    HA   THR  34           HA       THR  34   4.583   3.828   3.828
  267    HB   THR  34           HB       THR  34   3.446   3.304   3.304
  268    HG1  THR  34          1HG       THR  34   2.016   4.589   4.589
  269   1HG2  THR  34          2HG2      THR  34   2.650   1.757   1.757
  270   2HG2  THR  34          1HG2      THR  34   1.294   2.820   2.820
  271   3HG2  THR  34          3HG2      THR  34   1.427   1.961   1.961
  272    H    CYS  35           HN       CYS  35   2.365   6.576   6.576
  273    HA   CYS  35           HA       CYS  35   4.352   8.298   8.298
  274   1HB   CYS  35          2HB       CYS  35   2.412   9.651   9.651
  275   2HB   CYS  35          1HB       CYS  35   2.288   8.122   8.122

  Start of MODEL   14
    1   1H    ARG   1          2H        ARG   1   0.767  14.594  14.594
    2   2H    ARG   1          1H        ARG   1   2.165  14.193  14.193
    3   3H    ARG   1          3H        ARG   1   1.825  15.825  15.825
    4    HA   ARG   1           HA       ARG   1   0.610  16.044  16.044
    5   1HB   ARG   1          2HB       ARG   1   1.389  13.091  13.091
    6   2HB   ARG   1          1HB       ARG   1   0.370  13.833  13.833
    7   1HG   ARG   1          2HG       ARG   1   3.055  15.130  15.130
    8   2HG   ARG   1          1HG       ARG   1   2.994  13.700  13.700
    9   1HD   ARG   1          2HD       ARG   1   1.361  14.886  14.886
   10   2HD   ARG   1          1HD       ARG   1   1.535  16.353  16.353
   11    HE   ARG   1           HE       ARG   1   3.874  15.033  15.033
   12   1HH1  ARG   1          1HH1      ARG   1   4.526  17.245  17.245
   13   2HH1  ARG   1          2HH1      ARG   1   4.538  18.633  18.633
   14   1HH2  ARG   1          1HH2      ARG   1   2.633  16.837  16.837
   15   2HH2  ARG   1          2HH2      ARG   1   3.354  18.378  18.378
   16    H    SER   2           H        SER   2  -1.473  14.921  14.921
   17    HA   SER   2           HA       SER   2  -3.300  14.059  14.059
   18   1HB   SER   2          2HB       SER   2  -4.106  15.443  15.443
   19   2HB   SER   2          1HB       SER   2  -5.087  15.215  15.215
   20    HG   SER   2           HG       SER   2  -4.267  17.092  17.092
   21    H    CYS   3           H        CYS   3  -2.778  11.776  11.776
   22    HA   CYS   3           HA       CYS   3  -3.762  10.737  10.737
   23   1HB   CYS   3          2HB       CYS   3  -1.961   9.141   9.141
   24   2HB   CYS   3          1HB       CYS   3  -1.241  10.720  10.720
   25    H    ILE   4           H        ILE   4  -4.599   8.616   8.616
   26    HA   ILE   4           HA       ILE   4  -5.286   7.953   7.953
   27    HB   ILE   4           HB       ILE   4  -7.694   7.576   7.576
   28   1HG1  ILE   4          2HG1      ILE   4  -8.180   9.305   9.305
   29   2HG1  ILE   4          1HG1      ILE   4  -6.526   9.041   9.041
   30   1HG2  ILE   4          3HG2      ILE   4  -7.143   9.468   9.468
   31   2HG2  ILE   4          2HG2      ILE   4  -6.683  10.446  10.446
   32   3HG2  ILE   4          1HG2      ILE   4  -8.351   9.941   9.941
   33   1HD1  ILE   4          3HD1      ILE   4  -8.583   6.815   6.815
   34   2HD1  ILE   4          2HD1      ILE   4  -8.025   7.464   7.464
   35   3HD1  ILE   4          1HD1      ILE   4  -6.930   6.562   6.562
   36    H    ASP   5           H        ASP   5  -6.077   5.876   5.876
   37    HA   ASP   5           HA       ASP   5  -4.772   3.818   3.818
   38   1HB   ASP   5          2HB       ASP   5  -6.803   2.946   2.946
   39   2HB   ASP   5          1HB       ASP   5  -5.131   2.468   2.468
   40    H    THR   6           H        THR   6  -6.034   2.181   2.181
   41    HA   THR   6           HA       THR   6  -8.950   2.569   2.569
   42    HB   THR   6           HB       THR   6  -7.758   4.185   4.185
   43    HG1  THR   6          1HG       THR   6  -9.486   3.756   3.756
   44   1HG2  THR   6          1HG2      THR   6  -6.839   1.603   1.603
   45   2HG2  THR   6          3HG2      THR   6  -6.608   3.229   3.229
   46   3HG2  THR   6          2HG2      THR   6  -5.759   2.717   2.717
   47    H    ILE   7           H        ILE   7  -7.065   0.776   0.776
   48    HA   ILE   7           HA       ILE   7  -7.802  -1.739  -1.739
   49    HB   ILE   7           HB       ILE   7  -5.490  -0.965  -0.965
   50   1HG1  ILE   7          2HG1      ILE   7  -4.128  -2.913  -2.913
   51   2HG1  ILE   7          1HG1      ILE   7  -5.555  -3.414  -3.414
   52   1HG2  ILE   7          1HG2      ILE   7  -5.098   0.210   0.210
   53   2HG2  ILE   7          3HG2      ILE   7  -4.923  -1.332  -1.332
   54   3HG2  ILE   7          2HG2      ILE   7  -3.793  -0.850  -0.850
   55   1HD1  ILE   7          2HD1      ILE   7  -6.788  -3.598  -3.598
   56   2HD1  ILE   7          1HD1      ILE   7  -5.325  -3.072  -3.072
   57   3HD1  ILE   7          3HD1      ILE   7  -5.359  -4.618  -4.618
   58    HA   PRO   8           HA       PRO   8  -8.493  -3.037  -3.037
   59   1HB   PRO   8          2HB       PRO   8  -8.117  -5.707  -5.707
   60   2HB   PRO   8          1HB       PRO   8  -9.605  -4.965  -4.965
   61   1HG   PRO   8          2HG       PRO   8  -6.988  -5.432  -5.432
   62   2HG   PRO   8          1HG       PRO   8  -8.583  -6.099  -6.099
   63   1HD   PRO   8          2HD       PRO   8  -7.963  -3.844  -3.844
   64   2HD   PRO   8          1HD       PRO   8  -9.520  -3.850  -3.850
   65    H    LYS   9           H        LYS   9  -7.096  -2.807  -2.807
   66    HA   LYS   9           HA       LYS   9  -4.304  -2.592  -2.592
   67   1HB   LYS   9          2HB       LYS   9  -5.624  -1.817  -1.817
   68   2HB   LYS   9          1HB       LYS   9  -5.772  -3.488  -3.488
   69   1HG   LYS   9          2HG       LYS   9  -3.011  -2.523  -2.523
   70   2HG   LYS   9          1HG       LYS   9  -3.758  -1.921  -1.921
   71   1HD   LYS   9          2HD       LYS   9  -3.948  -4.297  -4.297
   72   2HD   LYS   9          1HD       LYS   9  -3.326  -4.879  -4.879
   73   1HE   LYS   9          2HE       LYS   9  -1.447  -4.741  -4.741
   74   2HE   LYS   9          1HE       LYS   9  -1.204  -3.620  -3.620
   75   1HZ   LYS   9          3HZ       LYS   9  -2.720  -2.310  -2.310
   76   2HZ   LYS   9          2HZ       LYS   9  -1.380  -3.001  -3.001
   77   3HZ   LYS   9          1HZ       LYS   9  -1.169  -1.944  -1.944
   78    H    SER  10           H        SER  10  -6.392  -5.125  -5.125
   79    HA   SER  10           HA       SER  10  -4.901  -7.224  -7.224
   80   1HB   SER  10          2HB       SER  10  -6.828  -7.791  -7.791
   81   2HB   SER  10          1HB       SER  10  -6.827  -8.480  -8.480
   82    HG   SER  10           HG       SER  10  -8.171  -6.976  -6.976
   83    H    ARG  11           H        ARG  11  -5.037  -5.850  -5.850
   84    HA   ARG  11           HA       ARG  11  -3.351  -7.978  -7.978
   85   1HB   ARG  11          2HB       ARG  11  -5.061  -6.306  -6.306
   86   2HB   ARG  11          1HB       ARG  11  -3.691  -5.207  -5.207
   87   1HG   ARG  11          2HG       ARG  11  -3.621  -6.353  -6.353
   88   2HG   ARG  11          1HG       ARG  11  -2.306  -6.919  -6.919
   89   1HD   ARG  11          2HD       ARG  11  -3.603  -8.920  -8.920
   90   2HD   ARG  11          1HD       ARG  11  -4.941  -8.369  -8.369
   91    HE   ARG  11           HE       ARG  11  -2.200  -8.892  -8.892
   92   1HH1  ARG  11          2HH1      ARG  11  -4.470  -7.924  -7.924
   93   2HH1  ARG  11          1HH1      ARG  11  -5.037  -9.324  -9.324
   94   1HH2  ARG  11          1HH2      ARG  11  -3.300 -11.354 -11.354
   95   2HH2  ARG  11          2HH2      ARG  11  -4.283 -11.490 -11.490
   96    H    CYS  12           H        CYS  12  -3.042  -4.894  -4.894
   97    HA   CYS  12           HA       CYS  12  -0.063  -4.948  -4.948
   98   1HB   CYS  12          2HB       CYS  12  -2.047  -2.811  -2.811
   99   2HB   CYS  12          1HB       CYS  12  -0.603  -2.611  -2.611
  100    H    THR  13           H        THR  13  -1.228  -6.888  -6.888
  101    HA   THR  13           HA       THR  13  -1.285  -6.451  -6.451
  102    HB   THR  13           HB       THR  13  -2.243  -8.561  -8.561
  103    HG1  THR  13          1HG       THR  13  -0.307  -9.962  -9.962
  104   1HG2  THR  13          3HG2      THR  13   0.492  -9.212  -9.212
  105   2HG2  THR  13          2HG2      THR  13  -0.915 -10.274 -10.274
  106   3HG2  THR  13          1HG2      THR  13  -0.995  -8.801  -8.801
  107    H    ALA  14           H        ALA  14   0.428  -7.438  -7.438
  108    HA   ALA  14           HA       ALA  14   2.814  -5.927  -5.927
  109   1HB   ALA  14          2HB       ALA  14   2.427  -8.477  -8.477
  110   2HB   ALA  14          1HB       ALA  14   3.755  -7.334  -7.334
  111   3HB   ALA  14          3HB       ALA  14   2.117  -6.845  -6.845
  112    H    PHE  15           H        PHE  15   1.862  -8.850  -8.850
  113    HA   PHE  15           HA       PHE  15   4.617  -9.727  -9.727
  114   1HB   PHE  15          2HB       PHE  15   2.337 -11.008 -11.008
  115   2HB   PHE  15          1HB       PHE  15   3.691 -11.739 -11.739
  116    HD1  PHE  15          1HD       PHE  15   3.458 -10.715 -10.715
  117    HD2  PHE  15          2HD       PHE  15   0.400 -12.017 -12.017
  118    HE1  PHE  15          1HE       PHE  15   2.008 -11.260 -11.260
  119    HE2  PHE  15          2HE       PHE  15  -1.037 -12.555 -12.555
  120    HZ   PHE  15           HZ       PHE  15  -0.238 -12.174 -12.174
  121    H    GLN  16           H        GLN  16   2.131  -7.874  -7.874
  122    HA   GLN  16           HA       GLN  16   3.679  -8.011  -8.011
  123   1HB   GLN  16          2HB       GLN  16   1.000  -6.720  -6.720
  124   2HB   GLN  16          1HB       GLN  16   1.644  -7.269  -7.269
  125   1HG   GLN  16          2HG       GLN  16   1.557  -9.513  -9.513
  126   2HG   GLN  16          1HG       GLN  16   0.071  -8.674  -8.674
  127   1HE2  GLN  16          2HE2      GLN  16   1.773 -10.728 -10.728
  128   2HE2  GLN  16          1HE2      GLN  16   2.743 -10.225 -10.225
  129    H    CYS  17           H        CYS  17   2.663  -5.937  -5.937
  130    HA   CYS  17           HA       CYS  17   3.334  -3.392  -3.392
  131   1HB   CYS  17          2HB       CYS  17   2.340  -3.943  -3.943
  132   2HB   CYS  17          1HB       CYS  17   4.011  -3.980  -3.980
  133    H    LYS  18           H        LYS  18   5.239  -5.991  -5.991
  134    HA   LYS  18           HA       LYS  18   7.807  -4.547  -4.547
  135   1HB   LYS  18          2HB       LYS  18   7.459  -6.165  -6.165
  136   2HB   LYS  18          1HB       LYS  18   7.437  -7.471  -7.471
  137   1HG   LYS  18          2HG       LYS  18   9.673  -6.841  -6.841
  138   2HG   LYS  18          1HG       LYS  18   9.701  -5.415  -5.415
  139   1HD   LYS  18          2HD       LYS  18   9.655  -6.916  -6.916
  140   2HD   LYS  18          1HD       LYS  18   9.742  -8.306  -8.306
  141   1HE   LYS  18          2HE       LYS  18  11.859  -7.419  -7.419
  142   2HE   LYS  18          1HE       LYS  18  11.766  -6.003  -6.003
  143   1HZ   LYS  18          1HZ       LYS  18  11.615  -8.312  -8.312
  144   2HZ   LYS  18          3HZ       LYS  18  12.949  -8.456  -8.456
  145   3HZ   LYS  18          2HZ       LYS  18  12.817  -7.112  -7.112
  146    H    HIS  19           H        HIS  19   6.281  -7.434  -7.434
  147    HA   HIS  19           HA       HIS  19   8.346  -7.239  -7.239
  148   1HB   HIS  19          2HB       HIS  19   6.533  -9.565  -9.565
  149   2HB   HIS  19          1HB       HIS  19   7.836  -9.595  -9.595
  150    HD1  HIS  19          1HD       HIS  19  10.264  -9.315  -9.315
  151    HD2  HIS  19          2HD       HIS  19   7.315  -9.758  -9.758
  152    HE1  HIS  19          1HE       HIS  19  11.340  -9.838  -9.838
  153    H    SER  20           H        SER  20   5.491  -5.889  -5.889
  154    HA   SER  20           HA       SER  20   4.861  -6.480  -6.480
  155   1HB   SER  20          2HB       SER  20   2.766  -5.934  -5.934
  156   2HB   SER  20          1HB       SER  20   2.511  -6.492  -6.492
  157    HG   SER  20           HG       SER  20   2.851  -8.462  -8.462
  158    H    MET  21           H        MET  21   6.164  -4.550  -4.550
  159    HA   MET  21           HA       MET  21   5.312  -1.941  -1.941
  160   1HB   MET  21          2HB       MET  21   7.521  -2.743  -2.743
  161   2HB   MET  21          1HB       MET  21   6.545  -2.477  -2.477
  162   1HG   MET  21          2HG       MET  21   7.807  -0.498  -0.498
  163   2HG   MET  21          1HG       MET  21   6.172  -0.111  -0.111
  164   1HE   MET  21          1HE       MET  21   5.285   0.275   0.275
  165   2HE   MET  21          3HE       MET  21   6.277   1.022   1.022
  166   3HE   MET  21          2HE       MET  21   6.158   1.791   1.791
  167   1HN   DNP  22           HN       DAP  22   4.180  -4.056  -4.056
  168    HA   DNP  22           HA       DAP  22   2.650  -2.129  -2.129
  169   1HB   DNP  22          1HB       DAP  22   1.255  -3.956  -3.956
  170   2HB   DNP  22          2HB       DAP  22   1.725  -4.981  -4.981
  171   1HG   DNP  22          1HG       DAP  22   4.057  -4.092  -4.092
  172   2HG   DNP  22          2HG       DAP  22   2.984  -4.733  -4.733
  173   3HG   DNP  22          3HG       DAP  22   3.484  -5.684  -5.684
  174    H    TYR  23           H        TYR  23   2.016  -3.307  -3.307
  175    HA   TYR  23           HA       TYR  23  -0.698  -2.074  -2.074
  176   1HB   TYR  23          2HB       TYR  23   0.325  -3.740  -3.740
  177   2HB   TYR  23          1HB       TYR  23  -1.332  -3.318  -3.318
  178    HD1  TYR  23          1HD       TYR  23  -1.694  -4.013  -4.013
  179    HD2  TYR  23          2HD       TYR  23   0.485  -6.011  -6.011
  180    HE1  TYR  23          1HE       TYR  23  -1.983  -6.138  -6.138
  181    HE2  TYR  23          2HE       TYR  23   0.220  -8.124  -8.124
  182    HH   TYR  23           HH       TYR  23  -0.363  -8.599  -8.599
  183    H    ARG  24           H        ARG  24   2.043  -2.335  -2.335
  184    HA   ARG  24           HA       ARG  24   1.555  -0.289  -0.289
  185   1HB   ARG  24          2HB       ARG  24   3.213  -1.990  -1.990
  186   2HB   ARG  24          1HB       ARG  24   4.123  -1.351  -1.351
  187   1HG   ARG  24          2HG       ARG  24   4.725   0.462   0.462
  188   2HG   ARG  24          1HG       ARG  24   3.283   0.579   0.579
  189   1HD   ARG  24          2HD       ARG  24   4.431  -0.223  -0.223
  190   2HD   ARG  24          1HD       ARG  24   4.528  -1.723  -1.723
  191    HE   ARG  24           HE       ARG  24   6.623  -0.279  -0.279
  192   1HH1  ARG  24          1HH2      ARG  24   6.488   1.194   1.194
  193   2HH1  ARG  24          2HH2      ARG  24   7.574   0.324   0.324
  194   1HH2  ARG  24          2HH1      ARG  24   7.487  -2.429  -2.429
  195   2HH2  ARG  24          1HH1      ARG  24   8.288  -1.905  -1.905
  196    H    LEU  25           H        LEU  25   2.857  -0.054  -0.054
  197    HA   LEU  25           HA       LEU  25   4.045   2.488   2.488
  198   1HB   LEU  25          2HB       LEU  25   4.352   0.891   0.891
  199   2HB   LEU  25          1HB       LEU  25   2.795   0.962   0.962
  200    HG   LEU  25           HG       LEU  25   3.147   3.396   3.396
  201   1HD1  LEU  25          1HD1      LEU  25   6.036   2.842   2.842
  202   2HD1  LEU  25          3HD1      LEU  25   5.481   4.277   4.277
  203   3HD1  LEU  25          2HD1      LEU  25   4.935   3.960   3.960
  204   1HD2  LEU  25          1HD2      LEU  25   5.181   1.421   1.421
  205   2HD2  LEU  25          3HD2      LEU  25   3.506   1.579   1.579
  206   3HD2  LEU  25          2HD2      LEU  25   4.645   2.888   2.888
  207    H    SER  26           H        SER  26   1.261   1.887   1.887
  208    HA   SER  26           HA       SER  26   0.147   4.501   4.501
  209   1HB   SER  26          2HB       SER  26  -0.719   4.600   4.600
  210   2HB   SER  26          1HB       SER  26   1.007   4.926   4.926
  211    HG   SER  26           HG       SER  26  -0.113   2.861   2.861
  212    H    PHE  27           H        PHE  27  -0.433   1.335   1.335
  213    HA   PHE  27           HA       PHE  27  -3.374   1.792   1.792
  214   1HB   PHE  27          2HB       PHE  27  -2.075  -0.747  -0.747
  215   2HB   PHE  27          1HB       PHE  27  -3.733  -0.544  -0.544
  216    HD1  PHE  27          2HD       PHE  27  -1.467   1.202   1.202
  217    HD2  PHE  27          1HD       PHE  27  -3.327  -2.523  -2.523
  218    HE1  PHE  27          2HE       PHE  27  -1.039   0.421   0.421
  219    HE2  PHE  27          1HE       PHE  27  -2.893  -3.295  -3.295
  220    HZ   PHE  27           HZ       PHE  27  -1.745  -1.820  -1.820
  221    H    CYS  28           H        CYS  28  -1.285   0.899   0.899
  222    HA   CYS  28           HA       CYS  28  -3.476   1.520   1.520
  223   1HB   CYS  28          2HB       CYS  28  -1.091   0.152   0.152
  224   2HB   CYS  28          1HB       CYS  28  -2.791  -0.191  -0.191
  225    H    ARG  29           H        ARG  29  -2.140   3.466   3.466
  226    HA   ARG  29           HA       ARG  29   0.129   4.700   4.700
  227   1HB   ARG  29          2HB       ARG  29  -2.687   5.611   5.611
  228   2HB   ARG  29          1HB       ARG  29  -1.471   6.819   6.819
  229   1HG   ARG  29          2HG       ARG  29  -0.231   5.842   5.842
  230   2HG   ARG  29          1HG       ARG  29  -1.513   4.668   4.668
  231   1HD   ARG  29          2HD       ARG  29  -2.631   5.984   5.984
  232   2HD   ARG  29          1HD       ARG  29  -2.771   7.208   7.208
  233    HE   ARG  29           HE       ARG  29  -0.496   8.056   8.056
  234   1HH1  ARG  29          1HH2      ARG  29  -2.946   7.496   7.496
  235   2HH1  ARG  29          2HH2      ARG  29  -2.093   7.442   7.442
  236   1HH2  ARG  29          2HH1      ARG  29   1.036   7.369   7.369
  237   2HH2  ARG  29          1HH1      ARG  29   0.364   7.398   7.398
  238    H    LYS  30           H        LYS  30  -2.541   5.259   5.259
  239    HA   LYS  30           HA       LYS  30  -0.509   6.209   6.209
  240   1HB   LYS  30          2HB       LYS  30  -3.508   5.855   5.855
  241   2HB   LYS  30          1HB       LYS  30  -2.393   6.867   6.867
  242   1HG   LYS  30          2HG       LYS  30  -1.993   7.838   7.838
  243   2HG   LYS  30          1HG       LYS  30  -3.668   7.320   7.320
  244   1HD   LYS  30          2HD       LYS  30  -4.268   8.736   8.736
  245   2HD   LYS  30          1HD       LYS  30  -2.574   9.148   9.148
  246   1HE   LYS  30          2HE       LYS  30  -2.590   9.989   9.989
  247   2HE   LYS  30          1HE       LYS  30  -4.346   9.890   9.890
  248   1HZ   LYS  30          3HZ       LYS  30  -3.437  11.233  11.233
  249   2HZ   LYS  30          2HZ       LYS  30  -2.588  11.908  11.908
  250   3HZ   LYS  30          1HZ       LYS  30  -4.288  11.900  11.900
  251    H    THR  31           H        THR  31  -2.985   3.843   3.843
  252    HA   THR  31           HA       THR  31  -2.994   2.192   2.192
  253    HB   THR  31           HB       THR  31  -2.815   1.418   1.418
  254    HG1  THR  31          1HG       THR  31  -4.656   2.518   2.518
  255   1HG2  THR  31          1HG2      THR  31  -3.907  -0.171  -0.171
  256   2HG2  THR  31          3HG2      THR  31  -3.975  -0.615  -0.615
  257   3HG2  THR  31          2HG2      THR  31  -2.427  -0.626  -0.626
  258    H    CYS  32           H        CYS  32  -0.247   2.492   2.492
  259    HA   CYS  32           HA       CYS  32   1.230   0.493   0.493
  260   1HB   CYS  32          2HB       CYS  32   1.241   1.089   1.089
  261   2HB   CYS  32          1HB       CYS  32   2.823   1.031   1.031
  262    H    GLY  33           H        GLY  33   1.346   3.556   3.556
  263   1HA   GLY  33          2HA       GLY  33   2.114   5.551   5.551
  264   2HA   GLY  33          1HA       GLY  33   3.286   4.526   4.526
  265    H    THR  34           H        THR  34   2.411   5.068   5.068
  266    HA   THR  34           HA       THR  34   5.305   5.411   5.411
  267    HB   THR  34           HB       THR  34   4.198   5.052   5.052
  268    HG1  THR  34          1HG       THR  34   2.378   3.558   3.558
  269   1HG2  THR  34          3HG2      THR  34   5.742   3.401   3.401
  270   2HG2  THR  34          2HG2      THR  34   4.292   2.813   2.813
  271   3HG2  THR  34          1HG2      THR  34   4.492   2.608   2.608
  272    H    CYS  35           HN       CYS  35   2.174   7.103   7.103
  273    HA   CYS  35           HA       CYS  35   3.884   9.359   9.359
  274   1HB   CYS  35          2HB       CYS  35   1.894   9.950   9.950
  275   2HB   CYS  35          1HB       CYS  35   2.648   8.499   8.499

  Start of MODEL   15
    1   1H    ARG   1          3H        ARG   1   1.620  14.689  14.689
    2   2H    ARG   1          2H        ARG   1   2.142  15.348  15.348
    3   3H    ARG   1          1H        ARG   1   2.175  16.290  16.290
    4    HA   ARG   1           HA       ARG   1   0.083  16.971  16.971
    5   1HB   ARG   1          2HB       ARG   1   0.800  16.288  16.288
    6   2HB   ARG   1          1HB       ARG   1  -0.361  15.002  15.002
    7   1HG   ARG   1          2HG       ARG   1  -2.122  16.767  16.767
    8   2HG   ARG   1          1HG       ARG   1  -0.931  18.007  18.007
    9   1HD   ARG   1          2HD       ARG   1  -0.720  17.059  17.059
   10   2HD   ARG   1          1HD       ARG   1  -2.006  15.918  15.918
   11    HE   ARG   1           HE       ARG   1  -2.390  18.902  18.902
   12   1HH1  ARG   1          1HH1      ARG   1  -4.604  17.742  17.742
   13   2HH1  ARG   1          2HH1      ARG   1  -5.699  17.313  17.313
   14   1HH2  ARG   1          1HH2      ARG   1  -3.077  17.514  17.514
   15   2HH2  ARG   1          2HH2      ARG   1  -4.760  17.193  17.193
   16    H    SER   2           H        SER   2  -2.357  15.837  15.837
   17    HA   SER   2           HA       SER   2  -2.354  13.834  13.834
   18   1HB   SER   2          2HB       SER   2  -4.825  14.371  14.371
   19   2HB   SER   2          1HB       SER   2  -4.655  14.388  14.388
   20    HG   SER   2           HG       SER   2  -4.407  16.481  16.481
   21    H    CYS   3           H        CYS   3  -3.233  11.646  11.646
   22    HA   CYS   3           HA       CYS   3  -3.456  10.622  10.622
   23   1HB   CYS   3          2HB       CYS   3  -1.696   8.959   8.959
   24   2HB   CYS   3          1HB       CYS   3  -0.999  10.524  10.524
   25    H    ILE   4           H        ILE   4  -4.497   8.523   8.523
   26    HA   ILE   4           HA       ILE   4  -5.654   7.947   7.947
   27    HB   ILE   4           HB       ILE   4  -7.903   7.723   7.723
   28   1HG1  ILE   4          2HG1      ILE   4  -7.980   9.087   9.087
   29   2HG1  ILE   4          1HG1      ILE   4  -6.373   8.416   8.416
   30   1HG2  ILE   4          3HG2      ILE   4  -7.339   9.865   9.865
   31   2HG2  ILE   4          2HG2      ILE   4  -6.675  10.474  10.474
   32   3HG2  ILE   4          1HG2      ILE   4  -8.390  10.134  10.134
   33   1HD1  ILE   4          1HD1      ILE   4  -8.863   6.755   6.755
   34   2HD1  ILE   4          3HD1      ILE   4  -8.069   6.911   6.911
   35   3HD1  ILE   4          2HD1      ILE   4  -7.257   6.107   6.107
   36    H    ASP   5           H        ASP   5  -6.149   5.812   5.812
   37    HA   ASP   5           HA       ASP   5  -4.783   3.908   3.908
   38   1HB   ASP   5          2HB       ASP   5  -6.687   3.257   3.257
   39   2HB   ASP   5          1HB       ASP   5  -5.388   2.266   2.266
   40    H    THR   6           H        THR   6  -5.987   2.152   2.152
   41    HA   THR   6           HA       THR   6  -8.922   2.345   2.345
   42    HB   THR   6           HB       THR   6  -8.106   3.938   3.938
   43    HG1  THR   6          1HG       THR   6  -8.981   1.384   1.384
   44   1HG2  THR   6          3HG2      THR   6  -6.531   1.564   1.564
   45   2HG2  THR   6          2HG2      THR   6  -6.658   3.167   3.167
   46   3HG2  THR   6          1HG2      THR   6  -5.786   2.943   2.943
   47    H    ILE   7           H        ILE   7  -6.959   0.762   0.762
   48    HA   ILE   7           HA       ILE   7  -7.342  -1.809  -1.809
   49    HB   ILE   7           HB       ILE   7  -4.987  -0.694  -0.694
   50   1HG1  ILE   7          2HG1      ILE   7  -3.710  -2.715  -2.715
   51   2HG1  ILE   7          1HG1      ILE   7  -5.209  -3.429  -3.429
   52   1HG2  ILE   7          1HG2      ILE   7  -5.113   0.163   0.163
   53   2HG2  ILE   7          3HG2      ILE   7  -5.043  -1.493  -1.493
   54   3HG2  ILE   7          2HG2      ILE   7  -3.700  -0.817  -0.817
   55   1HD1  ILE   7          2HD1      ILE   7  -6.072  -3.256  -3.256
   56   2HD1  ILE   7          1HD1      ILE   7  -4.529  -2.573  -2.573
   57   3HD1  ILE   7          3HD1      ILE   7  -4.616  -4.230  -4.230
   58    HA   PRO   8           HA       PRO   8  -8.590  -3.143  -3.143
   59   1HB   PRO   8          2HB       PRO   8  -8.236  -5.806  -5.806
   60   2HB   PRO   8          1HB       PRO   8  -9.629  -5.042  -5.042
   61   1HG   PRO   8          2HG       PRO   8  -6.871  -5.578  -5.578
   62   2HG   PRO   8          1HG       PRO   8  -8.435  -6.159  -6.159
   63   1HD   PRO   8          2HD       PRO   8  -7.486  -3.913  -3.913
   64   2HD   PRO   8          1HD       PRO   8  -9.191  -3.915  -3.915
   65    H    LYS   9           H        LYS   9  -7.191  -2.614  -2.614
   66    HA   LYS   9           HA       LYS   9  -4.400  -2.552  -2.552
   67   1HB   LYS   9          2HB       LYS   9  -5.779  -1.560  -1.560
   68   2HB   LYS   9          1HB       LYS   9  -6.059  -3.161  -3.161
   69   1HG   LYS   9          2HG       LYS   9  -3.203  -2.384  -2.384
   70   2HG   LYS   9          1HG       LYS   9  -4.029  -1.640  -1.640
   71   1HD   LYS   9          2HD       LYS   9  -4.371  -3.804  -3.804
   72   2HD   LYS   9          1HD       LYS   9  -3.839  -4.648  -4.648
   73   1HE   LYS   9          2HE       LYS   9  -1.940  -4.527  -4.527
   74   2HE   LYS   9          1HE       LYS   9  -1.567  -3.609  -3.609
   75   1HZ   LYS   9          3HZ       LYS   9  -2.907  -1.896  -1.896
   76   2HZ   LYS   9          2HZ       LYS   9  -1.637  -2.658  -2.658
   77   3HZ   LYS   9          1HZ       LYS   9  -1.337  -1.776  -1.776
   78    H    SER  10           H        SER  10  -6.625  -4.985  -4.985
   79    HA   SER  10           HA       SER  10  -5.305  -7.041  -7.041
   80   1HB   SER  10          2HB       SER  10  -7.036  -7.721  -7.721
   81   2HB   SER  10          1HB       SER  10  -7.212  -8.307  -8.307
   82    HG   SER  10           HG       SER  10  -8.706  -6.756  -6.756
   83    H    ARG  11           H        ARG  11  -5.170  -6.034  -6.034
   84    HA   ARG  11           HA       ARG  11  -3.355  -8.142  -8.142
   85   1HB   ARG  11          2HB       ARG  11  -5.100  -6.503  -6.503
   86   2HB   ARG  11          1HB       ARG  11  -3.667  -5.522  -5.522
   87   1HG   ARG  11          2HG       ARG  11  -3.703  -6.875  -6.875
   88   2HG   ARG  11          1HG       ARG  11  -2.421  -7.486  -7.486
   89   1HD   ARG  11          2HD       ARG  11  -4.092  -9.235  -9.235
   90   2HD   ARG  11          1HD       ARG  11  -5.200  -8.711  -8.711
   91    HE   ARG  11           HE       ARG  11  -2.431  -9.785  -9.785
   92   1HH1  ARG  11          2HH1      ARG  11  -4.103  -8.415  -8.415
   93   2HH1  ARG  11          1HH1      ARG  11  -4.710  -9.746  -9.746
   94   1HH2  ARG  11          1HH2      ARG  11  -3.884 -11.951 -11.951
   95   2HH2  ARG  11          2HH2      ARG  11  -4.564 -11.952 -11.952
   96    H    CYS  12           H        CYS  12  -3.244  -4.955  -4.955
   97    HA   CYS  12           HA       CYS  12  -0.372  -4.575  -4.575
   98   1HB   CYS  12          2HB       CYS  12  -2.320  -2.873  -2.873
   99   2HB   CYS  12          1HB       CYS  12  -0.888  -2.344  -2.344
  100    H    THR  13           H        THR  13  -1.028  -6.760  -6.760
  101    HA   THR  13           HA       THR  13  -0.673  -6.206  -6.206
  102    HB   THR  13           HB       THR  13  -1.885  -8.277  -8.277
  103    HG1  THR  13          1HG       THR  13  -0.061  -9.775  -9.775
  104   1HG2  THR  13          3HG2      THR  13   0.478  -9.013  -9.013
  105   2HG2  THR  13          2HG2      THR  13  -0.914 -10.044 -10.044
  106   3HG2  THR  13          1HG2      THR  13  -1.121  -8.587  -8.587
  107    H    ALA  14           H        ALA  14   1.249  -6.802  -6.802
  108    HA   ALA  14           HA       ALA  14   3.589  -5.671  -5.671
  109   1HB   ALA  14          1HB       ALA  14   3.344  -6.412  -6.412
  110   2HB   ALA  14          3HB       ALA  14   3.435  -8.089  -8.089
  111   3HB   ALA  14          2HB       ALA  14   4.826  -7.035  -7.035
  112    H    PHE  15           H        PHE  15   2.389  -8.762  -8.762
  113    HA   PHE  15           HA       PHE  15   4.534 -10.239 -10.239
  114   1HB   PHE  15          2HB       PHE  15   1.768 -10.544 -10.544
  115   2HB   PHE  15          1HB       PHE  15   2.935 -11.762 -11.762
  116    HD1  PHE  15          2HD       PHE  15   3.189 -10.350 -10.350
  117    HD2  PHE  15          1HD       PHE  15   0.090 -12.024 -12.024
  118    HE1  PHE  15          2HE       PHE  15   1.893 -10.864 -10.864
  119    HE2  PHE  15          1HE       PHE  15  -1.193 -12.538 -12.538
  120    HZ   PHE  15           HZ       PHE  15  -0.300 -11.959 -11.959
  121    H    GLN  16           H        GLN  16   2.235  -8.136  -8.136
  122    HA   GLN  16           HA       GLN  16   3.660  -8.153  -8.153
  123   1HB   GLN  16          2HB       GLN  16   1.063  -6.717  -6.717
  124   2HB   GLN  16          1HB       GLN  16   1.565  -7.201  -7.201
  125   1HG   GLN  16          2HG       GLN  16   1.452  -9.583  -9.583
  126   2HG   GLN  16          1HG       GLN  16  -0.076  -8.781  -8.781
  127   1HE2  GLN  16          2HE2      GLN  16   1.493 -10.190 -10.190
  128   2HE2  GLN  16          1HE2      GLN  16   2.581  -9.556  -9.556
  129    H    CYS  17           H        CYS  17   2.327  -5.801  -5.801
  130    HA   CYS  17           HA       CYS  17   3.355  -3.382  -3.382
  131   1HB   CYS  17          2HB       CYS  17   2.166  -4.201  -4.201
  132   2HB   CYS  17          1HB       CYS  17   3.790  -4.129  -4.129
  133    H    LYS  18           H        LYS  18   5.191  -6.089  -6.089
  134    HA   LYS  18           HA       LYS  18   7.717  -4.486  -4.486
  135   1HB   LYS  18          2HB       LYS  18   7.044  -6.161  -6.161
  136   2HB   LYS  18          1HB       LYS  18   7.528  -7.417  -7.417
  137   1HG   LYS  18          2HG       LYS  18   9.794  -6.375  -6.375
  138   2HG   LYS  18          1HG       LYS  18   9.297  -5.059  -5.059
  139   1HD   LYS  18          2HD       LYS  18   8.760  -6.858  -6.858
  140   2HD   LYS  18          1HD       LYS  18   9.599  -8.007  -8.007
  141   1HE   LYS  18          2HE       LYS  18  10.790  -5.453  -5.453
  142   2HE   LYS  18          1HE       LYS  18  11.060  -7.081  -7.081
  143   1HZ   LYS  18          1HZ       LYS  18  11.732  -7.030  -7.030
  144   2HZ   LYS  18          3HZ       LYS  18  12.475  -5.699  -5.699
  145   3HZ   LYS  18          2HZ       LYS  18  12.761  -7.256  -7.256
  146    H    HIS  19           H        HIS  19   6.220  -7.417  -7.417
  147    HA   HIS  19           HA       HIS  19   8.358  -7.242  -7.242
  148   1HB   HIS  19          2HB       HIS  19   6.780  -9.676  -9.676
  149   2HB   HIS  19          1HB       HIS  19   7.981  -9.703  -9.703
  150    HD1  HIS  19          1HD       HIS  19  10.451  -9.274  -9.274
  151    HD2  HIS  19          2HD       HIS  19   7.766  -9.626  -9.626
  152    HE1  HIS  19          1HE       HIS  19  11.718  -9.612  -9.612
  153    H    SER  20           H        SER  20   5.870  -5.755  -5.755
  154    HA   SER  20           HA       SER  20   4.938  -6.542  -6.542
  155   1HB   SER  20          2HB       SER  20   3.061  -6.227  -6.227
  156   2HB   SER  20          1HB       SER  20   2.557  -6.472  -6.472
  157    HG   SER  20           HG       SER  20   4.421  -8.316  -8.316
  158    H    MET  21           H        MET  21   6.150  -4.408  -4.408
  159    HA   MET  21           HA       MET  21   4.961  -1.942  -1.942
  160   1HB   MET  21          2HB       MET  21   6.200  -0.898  -0.898
  161   2HB   MET  21          1HB       MET  21   7.231  -2.031  -2.031
  162   1HG   MET  21          2HG       MET  21   7.645  -3.045  -3.045
  163   2HG   MET  21          1HG       MET  21   5.980  -3.515  -3.515
  164   1HE   MET  21          3HE       MET  21   4.239  -2.316  -2.316
  165   2HE   MET  21          2HE       MET  21   4.513  -0.726  -0.726
  166   3HE   MET  21          1HE       MET  21   4.365  -0.896  -0.896
  167   1HN   DNP  22           HN       DAP  22   3.875  -4.282  -4.282
  168    HA   DNP  22           HA       DAP  22   2.241  -2.498  -2.498
  169   1HB   DNP  22          1HB       DAP  22   2.536  -4.918  -4.918
  170   2HB   DNP  22          2HB       DAP  22   0.847  -4.446  -4.446
  171   1HG   DNP  22          1HG       DAP  22   1.475  -5.323  -5.323
  172   2HG   DNP  22          2HG       DAP  22   2.200  -6.466  -6.466
  173   3HG   DNP  22          3HG       DAP  22   0.549  -6.129  -6.129
  174    H    TYR  23           H        TYR  23   1.874  -2.975  -2.975
  175    HA   TYR  23           HA       TYR  23  -0.900  -1.934  -1.934
  176   1HB   TYR  23          2HB       TYR  23  -0.044  -3.586  -3.586
  177   2HB   TYR  23          1HB       TYR  23  -1.671  -3.236  -3.236
  178    HD1  TYR  23          2HD       TYR  23  -1.882  -3.966  -3.966
  179    HD2  TYR  23          1HD       TYR  23   0.358  -5.887  -5.887
  180    HE1  TYR  23          2HE       TYR  23  -1.999  -6.067  -6.067
  181    HE2  TYR  23          1HE       TYR  23   0.260  -7.987  -7.987
  182    HH   TYR  23           HH       TYR  23  -0.488  -9.033  -9.033
  183    H    ARG  24           H        ARG  24   1.742  -2.257  -2.257
  184    HA   ARG  24           HA       ARG  24   1.383  -0.021  -0.021
  185   1HB   ARG  24          2HB       ARG  24   2.928  -1.842  -1.842
  186   2HB   ARG  24          1HB       ARG  24   3.854  -1.360  -1.360
  187   1HG   ARG  24          2HG       ARG  24   4.687   0.382   0.382
  188   2HG   ARG  24          1HG       ARG  24   3.233   0.721   0.721
  189   1HD   ARG  24          2HD       ARG  24   3.812  -0.654  -0.654
  190   2HD   ARG  24          1HD       ARG  24   4.494  -1.830  -1.830
  191    HE   ARG  24           HE       ARG  24   6.433  -0.316  -0.316
  192   1HH1  ARG  24          1HH2      ARG  24   6.221   1.886   1.886
  193   2HH1  ARG  24          2HH2      ARG  24   6.466   1.450   1.450
  194   1HH2  ARG  24          2HH1      ARG  24   6.017  -1.973  -1.973
  195   2HH2  ARG  24          1HH1      ARG  24   6.437  -0.982  -0.982
  196    H    LEU  25           H        LEU  25   2.661  -0.132  -0.132
  197    HA   LEU  25           HA       LEU  25   4.101   2.273   2.273
  198   1HB   LEU  25          2HB       LEU  25   4.218   0.635   0.635
  199   2HB   LEU  25          1HB       LEU  25   2.643   0.819   0.819
  200    HG   LEU  25           HG       LEU  25   3.274   3.299   3.299
  201   1HD1  LEU  25          1HD1      LEU  25   6.085   2.350   2.350
  202   2HD1  LEU  25          3HD1      LEU  25   5.688   3.880   3.880
  203   3HD1  LEU  25          2HD1      LEU  25   5.167   3.568   3.568
  204   1HD2  LEU  25          3HD2      LEU  25   3.361   1.531   1.531
  205   2HD2  LEU  25          2HD2      LEU  25   4.602   2.743   2.743
  206   3HD2  LEU  25          1HD2      LEU  25   5.033   1.194   1.194
  207    H    SER  26           H        SER  26   1.110   1.894   1.894
  208    HA   SER  26           HA       SER  26   0.348   4.610   4.610
  209   1HB   SER  26          2HB       SER  26   1.241   4.234   4.234
  210   2HB   SER  26          1HB       SER  26  -0.519   4.179   4.179
  211    HG   SER  26           HG       SER  26   1.080   6.263   6.263
  212    H    PHE  27           H        PHE  27  -0.435   1.530   1.530
  213    HA   PHE  27           HA       PHE  27  -3.367   2.032   2.032
  214   1HB   PHE  27          2HB       PHE  27  -2.184  -0.577  -0.577
  215   2HB   PHE  27          1HB       PHE  27  -3.673  -0.278  -0.278
  216    HD1  PHE  27          2HD       PHE  27   0.046   0.131   0.131
  217    HD2  PHE  27          1HD       PHE  27  -3.757  -0.440  -0.440
  218    HE1  PHE  27          2HE       PHE  27   1.147  -0.139  -0.139
  219    HE2  PHE  27          1HE       PHE  27  -2.610  -0.721  -0.721
  220    HZ   PHE  27           HZ       PHE  27  -0.151  -0.593  -0.593
  221    H    CYS  28           H        CYS  28  -1.121   1.160   1.160
  222    HA   CYS  28           HA       CYS  28  -3.236   1.658   1.658
  223   1HB   CYS  28          2HB       CYS  28  -0.714   0.357   0.357
  224   2HB   CYS  28          1HB       CYS  28  -2.374  -0.124  -0.124
  225    H    ARG  29           H        ARG  29  -1.988   3.607   3.607
  226    HA   ARG  29           HA       ARG  29   0.256   4.921   4.921
  227   1HB   ARG  29          2HB       ARG  29  -2.598   5.615   5.615
  228   2HB   ARG  29          1HB       ARG  29  -1.575   6.898   6.898
  229   1HG   ARG  29          2HG       ARG  29  -0.319   6.907   6.907
  230   2HG   ARG  29          1HG       ARG  29  -0.767   5.243   5.243
  231   1HD   ARG  29          2HD       ARG  29  -2.888   5.735   5.735
  232   2HD   ARG  29          1HD       ARG  29  -2.939   7.323   7.323
  233    HE   ARG  29           HE       ARG  29  -1.038   6.579   6.579
  234   1HH1  ARG  29          2HH1      ARG  29  -0.751   9.290   9.290
  235   2HH1  ARG  29          1HH1      ARG  29  -1.741  10.253  10.253
  236   1HH2  ARG  29          1HH2      ARG  29  -3.470   7.274   7.274
  237   2HH2  ARG  29          2HH2      ARG  29  -3.447   8.974   8.974
  238    H    LYS  30           H        LYS  30  -2.444   5.363   5.363
  239    HA   LYS  30           HA       LYS  30  -0.594   6.312   6.312
  240   1HB   LYS  30          2HB       LYS  30  -3.598   5.980   5.980
  241   2HB   LYS  30          1HB       LYS  30  -2.549   7.150   7.150
  242   1HG   LYS  30          2HG       LYS  30  -2.235   7.818   7.818
  243   2HG   LYS  30          1HG       LYS  30  -3.855   7.174   7.174
  244   1HD   LYS  30          2HD       LYS  30  -4.543   9.246   9.246
  245   2HD   LYS  30          1HD       LYS  30  -3.960   8.829   8.829
  246   1HE   LYS  30          2HE       LYS  30  -2.491  10.325  10.325
  247   2HE   LYS  30          1HE       LYS  30  -2.879  10.928  10.928
  248   1HZ   LYS  30          2HZ       LYS  30  -1.283   8.550   8.550
  249   2HZ   LYS  30          1HZ       LYS  30  -0.547   9.581   9.581
  250   3HZ   LYS  30          3HZ       LYS  30  -0.833  10.099  10.099
  251    H    THR  31           H        THR  31  -3.134   3.958   3.958
  252    HA   THR  31           HA       THR  31  -3.214   2.393   2.393
  253    HB   THR  31           HB       THR  31  -3.183   1.549   1.549
  254    HG1  THR  31          1HG       THR  31  -5.020   2.580   2.580
  255   1HG2  THR  31          2HG2      THR  31  -3.851  -0.189  -0.189
  256   2HG2  THR  31          1HG2      THR  31  -4.028  -0.589  -0.589
  257   3HG2  THR  31          3HG2      THR  31  -2.420  -0.455  -0.455
  258    H    CYS  32           H        CYS  32  -0.412   2.413   2.413
  259    HA   CYS  32           HA       CYS  32   0.906   0.436   0.436
  260   1HB   CYS  32          2HB       CYS  32   1.052   0.954   0.954
  261   2HB   CYS  32          1HB       CYS  32   2.603   0.826   0.826
  262    H    GLY  33           H        GLY  33   1.166   3.554   3.554
  263   1HA   GLY  33          2HA       GLY  33   2.112   5.371   5.371
  264   2HA   GLY  33          1HA       GLY  33   3.281   4.233   4.233
  265    H    THR  34           H        THR  34   2.264   5.040   5.040
  266    HA   THR  34           HA       THR  34   5.129   5.457   5.457
  267    HB   THR  34           HB       THR  34   3.569   5.639   5.639
  268    HG1  THR  34          1HG       THR  34   2.394   3.496   3.496
  269   1HG2  THR  34          2HG2      THR  34   5.638   4.173   4.173
  270   2HG2  THR  34          1HG2      THR  34   4.581   3.070   3.070
  271   3HG2  THR  34          3HG2      THR  34   4.386   3.304   3.304
  272    H    CYS  35           HN       CYS  35   1.949   7.094   7.094
  273    HA   CYS  35           HA       CYS  35   3.327   9.642   9.642
  274   1HB   CYS  35          2HB       CYS  35   1.363  10.314  10.314
  275   2HB   CYS  35          1HB       CYS  35   2.614   9.495   9.495

  Start of MODEL   16
    1   1H    ARG   1          2H        ARG   1   0.185  12.421  12.421
    2   2H    ARG   1          1H        ARG   1   1.459  13.498  13.498
    3   3H    ARG   1          3H        ARG   1   1.540  12.375  12.375
    4    HA   ARG   1           HA       ARG   1   0.558  13.849  13.849
    5   1HB   ARG   1          2HB       ARG   1   1.566  15.709  15.709
    6   2HB   ARG   1          1HB       ARG   1  -0.013  15.845  15.845
    7   1HG   ARG   1          2HG       ARG   1  -0.225  17.534  17.534
    8   2HG   ARG   1          1HG       ARG   1  -0.889  16.213  16.213
    9   1HD   ARG   1          2HD       ARG   1   0.649  17.184  17.184
   10   2HD   ARG   1          1HD       ARG   1   1.553  15.811  15.811
   11    HE   ARG   1           HE       ARG   1   2.580  17.549  17.549
   12   1HH1  ARG   1          1HH2      ARG   1   1.087  19.811  19.811
   13   2HH1  ARG   1          2HH2      ARG   1   2.171  20.528  20.528
   14   1HH2  ARG   1          1HH1      ARG   1   4.166  17.545  17.545
   15   2HH2  ARG   1          2HH1      ARG   1   4.087  19.107  19.107
   16    H    SER   2           H        SER   2  -1.612  14.876  14.876
   17    HA   SER   2           HA       SER   2  -3.914  13.881  13.881
   18   1HB   SER   2          2HB       SER   2  -3.994  15.305  15.305
   19   2HB   SER   2          1HB       SER   2  -5.199  15.317  15.317
   20    HG   SER   2           HG       SER   2  -4.116  16.989  16.989
   21    H    CYS   3           H        CYS   3  -2.642  11.818  11.818
   22    HA   CYS   3           HA       CYS   3  -3.745  10.498  10.498
   23   1HB   CYS   3          2HB       CYS   3  -1.709   9.060   9.060
   24   2HB   CYS   3          1HB       CYS   3  -1.394  10.662  10.662
   25    H    ILE   4           H        ILE   4  -5.187   9.096   9.096
   26    HA   ILE   4           HA       ILE   4  -5.319   7.855   7.855
   27    HB   ILE   4           HB       ILE   4  -7.415   8.256   8.256
   28   1HG1  ILE   4          2HG1      ILE   4  -6.563  10.428  10.428
   29   2HG1  ILE   4          1HG1      ILE   4  -8.243  10.140  10.140
   30   1HG2  ILE   4          2HG2      ILE   4  -7.778   7.378   7.378
   31   2HG2  ILE   4          1HG2      ILE   4  -9.074   7.826   7.826
   32   3HG2  ILE   4          3HG2      ILE   4  -8.076   6.437   6.437
   33   1HD1  ILE   4          2HD1      ILE   4  -5.991   9.596   9.596
   34   2HD1  ILE   4          1HD1      ILE   4  -7.096  10.964  10.964
   35   3HD1  ILE   4          3HD1      ILE   4  -7.693   9.341   9.341
   36    H    ASP   5           H        ASP   5  -6.267   5.777   5.777
   37    HA   ASP   5           HA       ASP   5  -4.845   4.028   4.028
   38   1HB   ASP   5          2HB       ASP   5  -6.910   3.209   3.209
   39   2HB   ASP   5          1HB       ASP   5  -5.569   2.270   2.270
   40    H    THR   6           H        THR   6  -5.946   2.302   2.302
   41    HA   THR   6           HA       THR   6  -8.827   2.620   2.620
   42    HB   THR   6           HB       THR   6  -7.689   4.102   4.102
   43    HG1  THR   6          1HG       THR   6  -8.496   1.555   1.555
   44   1HG2  THR   6          2HG2      THR   6  -6.046   1.641   1.641
   45   2HG2  THR   6          1HG2      THR   6  -6.021   3.203   3.203
   46   3HG2  THR   6          3HG2      THR   6  -5.401   3.056   3.056
   47    H    ILE   7           H        ILE   7  -7.016   0.925   0.925
   48    HA   ILE   7           HA       ILE   7  -7.608  -1.675  -1.675
   49    HB   ILE   7           HB       ILE   7  -5.197  -0.813  -0.813
   50   1HG1  ILE   7          2HG1      ILE   7  -4.019  -2.825  -2.825
   51   2HG1  ILE   7          1HG1      ILE   7  -5.511  -3.367  -3.367
   52   1HG2  ILE   7          1HG2      ILE   7  -5.137   0.316   0.316
   53   2HG2  ILE   7          3HG2      ILE   7  -5.167  -1.255  -1.255
   54   3HG2  ILE   7          2HG2      ILE   7  -3.812  -0.787  -0.787
   55   1HD1  ILE   7          2HD1      ILE   7  -6.568  -3.357  -3.357
   56   2HD1  ILE   7          1HD1      ILE   7  -5.018  -2.862  -2.862
   57   3HD1  ILE   7          3HD1      ILE   7  -5.190  -4.440  -4.440
   58    HA   PRO   8           HA       PRO   8  -8.489  -2.812  -2.812
   59   1HB   PRO   8          2HB       PRO   8  -8.358  -5.488  -5.488
   60   2HB   PRO   8          1HB       PRO   8  -9.701  -4.662  -4.662
   61   1HG   PRO   8          2HG       PRO   8  -6.998  -5.413  -5.413
   62   2HG   PRO   8          1HG       PRO   8  -8.604  -5.975  -5.975
   63   1HD   PRO   8          2HD       PRO   8  -7.637  -3.831  -3.831
   64   2HD   PRO   8          1HD       PRO   8  -9.313  -3.746  -3.746
   65    H    LYS   9           H        LYS   9  -7.146  -2.607  -2.607
   66    HA   LYS   9           HA       LYS   9  -4.359  -2.557  -2.557
   67   1HB   LYS   9          2HB       LYS   9  -5.769  -1.592  -1.592
   68   2HB   LYS   9          1HB       LYS   9  -5.950  -3.217  -3.217
   69   1HG   LYS   9          2HG       LYS   9  -3.138  -2.435  -2.435
   70   2HG   LYS   9          1HG       LYS   9  -3.872  -1.601  -1.601
   71   1HD   LYS   9          2HD       LYS   9  -4.013  -3.578  -3.578
   72   2HD   LYS   9          1HD       LYS   9  -4.079  -4.588  -4.588
   73   1HE   LYS   9          2HE       LYS   9  -1.846  -4.668  -4.668
   74   2HE   LYS   9          1HE       LYS   9  -1.740  -4.321  -4.321
   75   1HZ   LYS   9          3HZ       LYS   9  -1.965  -1.855  -1.855
   76   2HZ   LYS   9          2HZ       LYS   9  -0.769  -2.758  -2.758
   77   3HZ   LYS   9          1HZ       LYS   9  -0.658  -2.433  -2.433
   78    H    SER  10           H        SER  10  -6.556  -4.953  -4.953
   79    HA   SER  10           HA       SER  10  -5.077  -7.063  -7.063
   80   1HB   SER  10          2HB       SER  10  -7.621  -7.152  -7.152
   81   2HB   SER  10          1HB       SER  10  -7.217  -7.393  -7.393
   82    HG   SER  10           HG       SER  10  -6.276  -9.308  -9.308
   83    H    ARG  11           H        ARG  11  -5.136  -5.802  -5.802
   84    HA   ARG  11           HA       ARG  11  -3.486  -7.973  -7.973
   85   1HB   ARG  11          2HB       ARG  11  -5.256  -6.421  -6.421
   86   2HB   ARG  11          1HB       ARG  11  -3.924  -5.276  -5.276
   87   1HG   ARG  11          2HG       ARG  11  -3.970  -6.523  -6.523
   88   2HG   ARG  11          1HG       ARG  11  -2.567  -6.960  -6.960
   89   1HD   ARG  11          2HD       ARG  11  -3.660  -9.008  -9.008
   90   2HD   ARG  11          1HD       ARG  11  -5.123  -8.587  -8.587
   91    HE   ARG  11           HE       ARG  11  -2.434  -9.005  -9.005
   92   1HH1  ARG  11          2HH1      ARG  11  -4.526  -8.106  -8.106
   93   2HH1  ARG  11          1HH1      ARG  11  -5.212  -9.514  -9.514
   94   1HH2  ARG  11          1HH2      ARG  11  -3.750 -11.516 -11.516
   95   2HH2  ARG  11          2HH2      ARG  11  -4.748 -11.638 -11.638
   96    H    CYS  12           H        CYS  12  -3.135  -4.876  -4.876
   97    HA   CYS  12           HA       CYS  12  -0.181  -4.904  -4.904
   98   1HB   CYS  12          2HB       CYS  12  -2.148  -2.768  -2.768
   99   2HB   CYS  12          1HB       CYS  12  -0.861  -2.534  -2.534
  100    H    THR  13           H        THR  13  -1.305  -6.769  -6.769
  101    HA   THR  13           HA       THR  13  -1.223  -6.417  -6.417
  102    HB   THR  13           HB       THR  13  -2.273  -8.451  -8.451
  103    HG1  THR  13          1HG       THR  13  -1.135  -9.905  -9.905
  104   1HG2  THR  13          1HG2      THR  13   0.481  -9.164  -9.164
  105   2HG2  THR  13          3HG2      THR  13  -0.948 -10.194 -10.194
  106   3HG2  THR  13          2HG2      THR  13  -0.938  -8.708  -8.708
  107    H    ALA  14           H        ALA  14   0.495  -7.453  -7.453
  108    HA   ALA  14           HA       ALA  14   2.915  -5.994  -5.994
  109   1HB   ALA  14          1HB       ALA  14   2.538  -8.676  -8.676
  110   2HB   ALA  14          3HB       ALA  14   3.879  -7.579  -7.579
  111   3HB   ALA  14          2HB       ALA  14   2.260  -7.104  -7.104
  112    H    PHE  15           H        PHE  15   1.854  -8.952  -8.952
  113    HA   PHE  15           HA       PHE  15   4.402  -9.984  -9.984
  114   1HB   PHE  15          2HB       PHE  15   1.877 -10.659 -10.659
  115   2HB   PHE  15          1HB       PHE  15   3.225 -11.674 -11.674
  116    HD1  PHE  15          2HD       PHE  15   3.048 -10.694 -10.694
  117    HD2  PHE  15          1HD       PHE  15   0.337 -12.371 -12.371
  118    HE1  PHE  15          2HE       PHE  15   1.705 -11.608 -11.608
  119    HE2  PHE  15          1HE       PHE  15  -0.998 -13.289 -13.289
  120    HZ   PHE  15           HZ       PHE  15  -0.322 -12.912 -12.912
  121    H    GLN  16           H        GLN  16   2.064  -7.800  -7.800
  122    HA   GLN  16           HA       GLN  16   3.796  -7.750  -7.750
  123   1HB   GLN  16          2HB       GLN  16   0.943  -6.660  -6.660
  124   2HB   GLN  16          1HB       GLN  16   1.774  -7.135  -7.135
  125   1HG   GLN  16          2HG       GLN  16   1.940  -9.417  -9.417
  126   2HG   GLN  16          1HG       GLN  16   0.344  -8.771  -8.771
  127   1HE2  GLN  16          2HE2      GLN  16   1.396 -10.614 -10.614
  128   2HE2  GLN  16          1HE2      GLN  16   2.628 -10.118 -10.118
  129    H    CYS  17           H        CYS  17   2.696  -5.891  -5.891
  130    HA   CYS  17           HA       CYS  17   3.125  -3.214  -3.214
  131   1HB   CYS  17          2HB       CYS  17   2.096  -3.962  -3.962
  132   2HB   CYS  17          1HB       CYS  17   3.695  -4.073  -4.073
  133    H    LYS  18           H        LYS  18   5.188  -5.657  -5.657
  134    HA   LYS  18           HA       LYS  18   7.617  -3.865  -3.865
  135   1HB   LYS  18          2HB       LYS  18   7.186  -5.155  -5.155
  136   2HB   LYS  18          1HB       LYS  18   7.666  -6.593  -6.593
  137   1HG   LYS  18          2HG       LYS  18   9.841  -5.504  -5.504
  138   2HG   LYS  18          1HG       LYS  18   9.357  -4.062  -4.062
  139   1HD   LYS  18          2HD       LYS  18   9.129  -5.409  -5.409
  140   2HD   LYS  18          1HD       LYS  18   9.706  -6.828  -6.828
  141   1HE   LYS  18          2HE       LYS  18  11.261  -4.202  -4.202
  142   2HE   LYS  18          1HE       LYS  18  11.541  -5.693  -5.693
  143   1HZ   LYS  18          3HZ       LYS  18  11.596  -6.352  -6.352
  144   2HZ   LYS  18          2HZ       LYS  18  12.529  -4.945  -4.945
  145   3HZ   LYS  18          1HZ       LYS  18  12.923  -6.315  -6.315
  146    H    HIS  19           H        HIS  19   5.848  -5.854  -5.854
  147    HA   HIS  19           HA       HIS  19   8.205  -6.642  -6.642
  148   1HB   HIS  19          2HB       HIS  19   6.052  -8.567  -8.567
  149   2HB   HIS  19          1HB       HIS  19   7.217  -8.924  -8.924
  150    HD1  HIS  19          1HD       HIS  19   9.776  -8.442  -8.442
  151    HD2  HIS  19          2HD       HIS  19   6.971  -9.274  -9.274
  152    HE1  HIS  19          1HE       HIS  19  10.954  -9.192  -9.192
  153    H    SER  20           H        SER  20   4.645  -6.377  -6.377
  154    HA   SER  20           HA       SER  20   4.712  -6.662  -6.662
  155   1HB   SER  20          2HB       SER  20   2.451  -5.840  -5.840
  156   2HB   SER  20          1HB       SER  20   2.293  -6.392  -6.392
  157    HG   SER  20           HG       SER  20   2.232  -8.310  -8.310
  158    H    MET  21           H        MET  21   6.193  -4.864  -4.864
  159    HA   MET  21           HA       MET  21   5.264  -2.116  -2.116
  160   1HB   MET  21          2HB       MET  21   7.509  -3.430  -3.430
  161   2HB   MET  21          1HB       MET  21   7.206  -1.724  -1.724
  162   1HG   MET  21          2HG       MET  21   8.108  -3.208  -3.208
  163   2HG   MET  21          1HG       MET  21   8.951  -2.006  -2.006
  164   1HE   MET  21          1HE       MET  21   7.368   0.341   0.341
  165   2HE   MET  21          3HE       MET  21   5.732  -0.065  -0.065
  166   3HE   MET  21          2HE       MET  21   6.651   1.175   1.175
  167   1HN   DNP  22           HN       DAP  22   3.308  -2.550  -2.550
  168    HA   DNP  22           HA       DAP  22   2.617  -1.452  -1.452
  169   1HB   DNP  22          1HB       DAP  22   1.187  -3.468  -3.468
  170   2HB   DNP  22          2HB       DAP  22   1.906  -4.406  -4.406
  171   1HG   DNP  22          1HG       DAP  22   3.998  -3.247  -3.247
  172   2HG   DNP  22          2HG       DAP  22   2.963  -4.063  -4.063
  173   3HG   DNP  22          3HG       DAP  22   3.667  -4.867  -4.867
  174    H    TYR  23           H        TYR  23   1.415  -3.531  -3.531
  175    HA   TYR  23           HA       TYR  23  -0.830  -1.686  -1.686
  176   1HB   TYR  23          2HB       TYR  23   0.025  -3.428  -3.428
  177   2HB   TYR  23          1HB       TYR  23  -1.584  -2.973  -2.973
  178    HD1  TYR  23          1HD       TYR  23  -1.968  -3.880  -3.880
  179    HD2  TYR  23          2HD       TYR  23   0.248  -5.678  -5.678
  180    HE1  TYR  23          1HE       TYR  23  -2.306  -6.102  -6.102
  181    HE2  TYR  23          2HE       TYR  23  -0.082  -7.864  -7.864
  182    HH   TYR  23           HH       TYR  23  -1.020  -8.406  -8.406
  183    H    ARG  24           H        ARG  24   2.116  -2.425  -2.425
  184    HA   ARG  24           HA       ARG  24   2.390  -0.312  -0.312
  185   1HB   ARG  24          2HB       ARG  24   3.521  -2.779  -2.779
  186   2HB   ARG  24          1HB       ARG  24   4.810  -1.715  -1.715
  187   1HG   ARG  24          2HG       ARG  24   3.403  -1.718  -1.718
  188   2HG   ARG  24          1HG       ARG  24   4.923  -2.547  -2.547
  189   1HD   ARG  24          2HD       ARG  24   4.382   0.461   0.461
  190   2HD   ARG  24          1HD       ARG  24   5.385  -0.456  -0.456
  191    HE   ARG  24           HE       ARG  24   5.963   0.140   0.140
  192   1HH1  ARG  24          2HH1      ARG  24   6.761  -2.003  -2.003
  193   2HH1  ARG  24          1HH1      ARG  24   8.463  -1.742  -1.742
  194   1HH2  ARG  24          1HH2      ARG  24   8.111   1.244   1.244
  195   2HH2  ARG  24          2HH2      ARG  24   9.289   0.285   0.285
  196    H    LEU  25           H        LEU  25   2.158   0.138   0.138
  197    HA   LEU  25           HA       LEU  25   4.438   2.001   2.001
  198   1HB   LEU  25          2HB       LEU  25   4.053   0.170   0.170
  199   2HB   LEU  25          1HB       LEU  25   2.477   0.683   0.683
  200    HG   LEU  25           HG       LEU  25   3.238   2.875   2.875
  201   1HD1  LEU  25          1HD1      LEU  25   6.030   1.659   1.659
  202   2HD1  LEU  25          3HD1      LEU  25   5.632   3.166   3.166
  203   3HD1  LEU  25          2HD1      LEU  25   5.437   3.031   3.031
  204   1HD2  LEU  25          1HD2      LEU  25   4.460   0.455   0.455
  205   2HD2  LEU  25          3HD2      LEU  25   2.804   1.027   1.027
  206   3HD2  LEU  25          2HD2      LEU  25   4.133   2.013   2.013
  207    H    SER  26           H        SER  26   1.205   1.946   1.946
  208    HA   SER  26           HA       SER  26   0.649   4.553   4.553
  209   1HB   SER  26          2HB       SER  26  -0.282   5.325   5.325
  210   2HB   SER  26          1HB       SER  26   1.468   4.976   4.976
  211    HG   SER  26           HG       SER  26  -0.705   3.541   3.541
  212    H    PHE  27           H        PHE  27  -0.252   1.613   1.613
  213    HA   PHE  27           HA       PHE  27  -3.174   2.227   2.227
  214   1HB   PHE  27          2HB       PHE  27  -2.119  -0.442  -0.442
  215   2HB   PHE  27          1HB       PHE  27  -3.685  -0.030  -0.030
  216    HD1  PHE  27          1HD       PHE  27  -1.077   1.555   1.555
  217    HD2  PHE  27          2HD       PHE  27  -3.284  -2.053  -2.053
  218    HE1  PHE  27          1HE       PHE  27  -0.502   0.822   0.822
  219    HE2  PHE  27          2HE       PHE  27  -2.675  -2.782  -2.782
  220    HZ   PHE  27           HZ       PHE  27  -1.280  -1.346  -1.346
  221    H    CYS  28           H        CYS  28  -1.088   1.128   1.128
  222    HA   CYS  28           HA       CYS  28  -3.393   1.642   1.642
  223   1HB   CYS  28          2HB       CYS  28  -1.021   0.297   0.297
  224   2HB   CYS  28          1HB       CYS  28  -2.706  -0.137  -0.137
  225    H    ARG  29           H        ARG  29  -2.182   3.619   3.619
  226    HA   ARG  29           HA       ARG  29   0.028   4.915   4.915
  227   1HB   ARG  29          2HB       ARG  29  -2.815   5.594   5.594
  228   2HB   ARG  29          1HB       ARG  29  -1.750   6.899   6.899
  229   1HG   ARG  29          2HG       ARG  29  -0.249   6.342   6.342
  230   2HG   ARG  29          1HG       ARG  29  -1.248   4.962   4.962
  231   1HD   ARG  29          2HD       ARG  29  -2.605   6.141   6.141
  232   2HD   ARG  29          1HD       ARG  29  -2.903   7.342   7.342
  233    HE   ARG  29           HE       ARG  29  -0.492   8.220   8.220
  234   1HH1  ARG  29          1HH2      ARG  29  -3.397   8.064   8.064
  235   2HH1  ARG  29          2HH2      ARG  29  -2.987   8.570   8.570
  236   1HH2  ARG  29          2HH1      ARG  29   0.490   8.325   8.325
  237   2HH2  ARG  29          1HH1      ARG  29  -0.578   8.661   8.661
  238    H    LYS  30           H        LYS  30  -2.586   4.907   4.907
  239    HA   LYS  30           HA       LYS  30  -0.783   6.060   6.060
  240   1HB   LYS  30          2HB       LYS  30  -3.799   5.563   5.563
  241   2HB   LYS  30          1HB       LYS  30  -2.870   6.396   6.396
  242   1HG   LYS  30          2HG       LYS  30  -2.950   7.260   7.260
  243   2HG   LYS  30          1HG       LYS  30  -4.098   7.841   7.841
  244   1HD   LYS  30          2HD       LYS  30  -1.980   8.665   8.665
  245   2HD   LYS  30          1HD       LYS  30  -0.993   8.070   8.070
  246   1HE   LYS  30          2HE       LYS  30  -1.484  10.554  10.554
  247   2HE   LYS  30          1HE       LYS  30  -1.708   9.684   9.684
  248   1HZ   LYS  30          3HZ       LYS  30  -4.136   9.656   9.656
  249   2HZ   LYS  30          2HZ       LYS  30  -3.595  11.245  11.245
  250   3HZ   LYS  30          1HZ       LYS  30  -3.830  10.190  10.190
  251    H    THR  31           H        THR  31  -3.165   3.766   3.766
  252    HA   THR  31           HA       THR  31  -3.301   2.066   2.066
  253    HB   THR  31           HB       THR  31  -3.070   1.465   1.465
  254    HG1  THR  31          1HG       THR  31  -4.800   2.717   2.717
  255   1HG2  THR  31          1HG2      THR  31  -4.197  -0.218  -0.218
  256   2HG2  THR  31          3HG2      THR  31  -4.288  -0.552  -0.552
  257   3HG2  THR  31          2HG2      THR  31  -2.730  -0.661  -0.661
  258    H    CYS  32           H        CYS  32  -0.542   2.350   2.350
  259    HA   CYS  32           HA       CYS  32   0.934   0.529   0.529
  260   1HB   CYS  32          2HB       CYS  32   0.675  -0.496  -0.496
  261   2HB   CYS  32          1HB       CYS  32   1.429   0.910   0.910
  262    H    GLY  33           H        GLY  33   1.110   3.202   3.202
  263   1HA   GLY  33          2HA       GLY  33   1.955   5.414   5.414
  264   2HA   GLY  33          1HA       GLY  33   3.121   4.483   4.483
  265    H    THR  34           H        THR  34   2.012   4.588   4.588
  266    HA   THR  34           HA       THR  34   4.781   4.196   4.196
  267    HB   THR  34           HB       THR  34   3.745   3.341   3.341
  268    HG1  THR  34          1HG       THR  34   2.157   4.495   4.495
  269   1HG2  THR  34          2HG2      THR  34   3.096   1.889   1.889
  270   2HG2  THR  34          1HG2      THR  34   1.583   2.762   2.762
  271   3HG2  THR  34          3HG2      THR  34   1.970   1.776   1.776
  272    H    CYS  35           HN       CYS  35   2.260   6.690   6.690
  273    HA   CYS  35           HA       CYS  35   3.915   8.457   8.457
  274   1HB   CYS  35          2HB       CYS  35   1.887   9.358   9.358
  275   2HB   CYS  35          1HB       CYS  35   1.792   7.637   7.637

  Start of MODEL   17
    1   1H    ARG   1          2H        ARG   1   0.071  14.612  14.612
    2   2H    ARG   1          1H        ARG   1   1.140  15.904  15.904
    3   3H    ARG   1          3H        ARG   1   1.637  14.565  14.565
    4    HA   ARG   1           HA       ARG   1   0.953  15.515  15.515
    5   1HB   ARG   1          2HB       ARG   1  -0.003  17.878  17.878
    6   2HB   ARG   1          1HB       ARG   1   1.563  17.663  17.663
    7   1HG   ARG   1          2HG       ARG   1   0.371  19.108  19.108
    8   2HG   ARG   1          1HG       ARG   1   0.386  17.607  17.607
    9   1HD   ARG   1          2HD       ARG   1  -1.974  17.181  17.181
   10   2HD   ARG   1          1HD       ARG   1  -1.975  18.451  18.451
   11    HE   ARG   1           HE       ARG   1  -1.663  20.105  20.105
   12   1HH1  ARG   1          1HH2      ARG   1  -1.027  19.005  19.005
   13   2HH1  ARG   1          2HH2      ARG   1  -2.471  18.543  18.543
   14   1HH2  ARG   1          1HH1      ARG   1  -4.262  18.622  18.622
   15   2HH2  ARG   1          2HH1      ARG   1  -4.473  18.283  18.283
   16    H    SER   2           H        SER   2  -0.553  13.575  13.575
   17    HA   SER   2           HA       SER   2  -2.970  13.779  13.779
   18   1HB   SER   2          2HB       SER   2  -3.870  14.831  14.831
   19   2HB   SER   2          1HB       SER   2  -3.349  13.333  13.333
   20    HG   SER   2           HG       SER   2  -5.555  13.713  13.713
   21    H    CYS   3           H        CYS   3  -3.585  11.708  11.708
   22    HA   CYS   3           HA       CYS   3  -1.915   9.585   9.585
   23   1HB   CYS   3          2HB       CYS   3  -2.455   9.980   9.980
   24   2HB   CYS   3          1HB       CYS   3  -1.540   8.690   8.690
   25    H    ILE   4           H        ILE   4  -3.723   8.529   8.529
   26    HA   ILE   4           HA       ILE   4  -5.945   7.874   7.874
   27    HB   ILE   4           HB       ILE   4  -7.544   8.217   8.217
   28   1HG1  ILE   4          2HG1      ILE   4  -6.535   9.298   9.298
   29   2HG1  ILE   4          1HG1      ILE   4  -5.182   8.279   8.279
   30   1HG2  ILE   4          3HG2      ILE   4  -6.916  10.265  10.265
   31   2HG2  ILE   4          2HG2      ILE   4  -5.624  10.581  10.581
   32   3HG2  ILE   4          1HG2      ILE   4  -7.300  10.624  10.624
   33   1HD1  ILE   4          3HD1      ILE   4  -6.717   6.296   6.296
   34   2HD1  ILE   4          2HD1      ILE   4  -8.061   7.326   7.326
   35   3HD1  ILE   4          1HD1      ILE   4  -6.785   7.017   7.017
   36    H    ASP   5           H        ASP   5  -6.245   5.796   5.796
   37    HA   ASP   5           HA       ASP   5  -4.692   3.939   3.939
   38   1HB   ASP   5          2HB       ASP   5  -6.795   3.231   3.231
   39   2HB   ASP   5          1HB       ASP   5  -5.454   2.237   2.237
   40    H    THR   6           H        THR   6  -5.830   2.162   2.162
   41    HA   THR   6           HA       THR   6  -8.703   2.385   2.385
   42    HB   THR   6           HB       THR   6  -7.539   3.981   3.981
   43    HG1  THR   6          1HG       THR   6  -9.169   3.224   3.224
   44   1HG2  THR   6          1HG2      THR   6  -5.351   2.698   2.698
   45   2HG2  THR   6          3HG2      THR   6  -6.232   1.440   1.440
   46   3HG2  THR   6          2HG2      THR   6  -6.094   3.044   3.044
   47    H    ILE   7           H        ILE   7  -6.864   0.800   0.800
   48    HA   ILE   7           HA       ILE   7  -7.171  -1.807  -1.807
   49    HB   ILE   7           HB       ILE   7  -4.794  -0.847  -0.847
   50   1HG1  ILE   7          2HG1      ILE   7  -3.661  -2.847  -2.847
   51   2HG1  ILE   7          1HG1      ILE   7  -5.253  -3.444  -3.444
   52   1HG2  ILE   7          1HG2      ILE   7  -4.974   0.231   0.231
   53   2HG2  ILE   7          3HG2      ILE   7  -5.041  -1.363  -1.363
   54   3HG2  ILE   7          2HG2      ILE   7  -3.619  -0.856  -0.856
   55   1HD1  ILE   7          1HD1      ILE   7  -5.756  -3.472  -3.472
   56   2HD1  ILE   7          3HD1      ILE   7  -4.134  -2.886  -2.886
   57   3HD1  ILE   7          2HD1      ILE   7  -4.379  -4.481  -4.481
   58    HA   PRO   8           HA       PRO   8  -8.621  -3.103  -3.103
   59   1HB   PRO   8          2HB       PRO   8  -8.227  -5.745  -5.745
   60   2HB   PRO   8          1HB       PRO   8  -9.567  -5.008  -5.008
   61   1HG   PRO   8          2HG       PRO   8  -6.705  -5.493  -5.493
   62   2HG   PRO   8          1HG       PRO   8  -8.216  -6.129  -6.129
   63   1HD   PRO   8          2HD       PRO   8  -7.298  -3.862  -3.862
   64   2HD   PRO   8          1HD       PRO   8  -9.017  -3.909  -3.909
   65    H    LYS   9           H        LYS   9  -7.320  -2.438  -2.438
   66    HA   LYS   9           HA       LYS   9  -4.518  -2.383  -2.383
   67   1HB   LYS   9          2HB       LYS   9  -5.980  -1.311  -1.311
   68   2HB   LYS   9          1HB       LYS   9  -6.422  -2.877  -2.877
   69   1HG   LYS   9          2HG       LYS   9  -3.471  -2.314  -2.314
   70   2HG   LYS   9          1HG       LYS   9  -4.400  -1.461  -1.461
   71   1HD   LYS   9          2HD       LYS   9  -4.920  -3.437  -3.437
   72   2HD   LYS   9          1HD       LYS   9  -4.715  -4.460  -4.460
   73   1HE   LYS   9          2HE       LYS   9  -2.788  -4.655  -4.655
   74   2HE   LYS   9          1HE       LYS   9  -2.301  -4.257  -4.257
   75   1HZ   LYS   9          3HZ       LYS   9  -2.879  -1.846  -1.846
   76   2HZ   LYS   9          2HZ       LYS   9  -1.821  -2.755  -2.755
   77   3HZ   LYS   9          1HZ       LYS   9  -1.407  -2.385  -2.385
   78    H    SER  10           H        SER  10  -6.759  -4.782  -4.782
   79    HA   SER  10           HA       SER  10  -5.612  -6.868  -6.868
   80   1HB   SER  10          2HB       SER  10  -7.131  -7.451  -7.451
   81   2HB   SER  10          1HB       SER  10  -7.416  -8.110  -8.110
   82    HG   SER  10           HG       SER  10  -8.832  -6.522  -6.522
   83    H    ARG  11           H        ARG  11  -5.136  -5.921  -5.921
   84    HA   ARG  11           HA       ARG  11  -3.260  -8.075  -8.075
   85   1HB   ARG  11          2HB       ARG  11  -4.791  -6.411  -6.411
   86   2HB   ARG  11          1HB       ARG  11  -3.291  -5.542  -5.542
   87   1HG   ARG  11          2HG       ARG  11  -3.127  -7.060  -7.060
   88   2HG   ARG  11          1HG       ARG  11  -2.037  -7.662  -7.662
   89   1HD   ARG  11          2HD       ARG  11  -3.974  -9.257  -9.257
   90   2HD   ARG  11          1HD       ARG  11  -4.829  -8.702  -8.702
   91    HE   ARG  11           HE       ARG  11  -2.139 -10.077 -10.077
   92   1HH1  ARG  11          1HH2      ARG  11  -2.571  -8.907  -8.907
   93   2HH1  ARG  11          2HH2      ARG  11  -3.520  -9.994  -9.994
   94   1HH2  ARG  11          2HH1      ARG  11  -4.456 -11.770 -11.770
   95   2HH2  ARG  11          1HH1      ARG  11  -4.649 -11.787 -11.787
   96    H    CYS  12           H        CYS  12  -3.272  -4.798  -4.798
   97    HA   CYS  12           HA       CYS  12  -0.389  -4.392  -4.392
   98   1HB   CYS  12          2HB       CYS  12  -2.425  -2.716  -2.716
   99   2HB   CYS  12          1HB       CYS  12  -0.953  -2.192  -2.192
  100    H    THR  13           H        THR  13  -0.761  -6.520  -6.520
  101    HA   THR  13           HA       THR  13  -0.527  -6.061  -6.061
  102    HB   THR  13           HB       THR  13  -1.851  -8.053  -8.053
  103    HG1  THR  13          1HG       THR  13   0.001  -9.629  -9.629
  104   1HG2  THR  13          3HG2      THR  13   0.608  -8.944  -8.944
  105   2HG2  THR  13          2HG2      THR  13  -0.887  -9.848  -9.848
  106   3HG2  THR  13          1HG2      THR  13  -0.907  -8.381  -8.381
  107    H    ALA  14           H        ALA  14   1.438  -7.105  -7.105
  108    HA   ALA  14           HA       ALA  14   3.746  -5.925  -5.925
  109   1HB   ALA  14          2HB       ALA  14   3.568  -8.120  -8.120
  110   2HB   ALA  14          1HB       ALA  14   5.006  -7.171  -7.171
  111   3HB   ALA  14          3HB       ALA  14   3.566  -6.394  -6.394
  112    H    PHE  15           H        PHE  15   2.246  -8.737  -8.737
  113    HA   PHE  15           HA       PHE  15   4.571 -10.251 -10.251
  114   1HB   PHE  15          2HB       PHE  15   1.870 -10.932 -10.932
  115   2HB   PHE  15          1HB       PHE  15   3.068 -11.972 -11.972
  116    HD1  PHE  15          1HD       PHE  15   3.195 -10.447 -10.447
  117    HD2  PHE  15          2HD       PHE  15  -0.030 -11.886 -11.886
  118    HE1  PHE  15          1HE       PHE  15   1.802 -10.693 -10.693
  119    HE2  PHE  15          2HE       PHE  15  -1.403 -12.129 -12.129
  120    HZ   PHE  15           HZ       PHE  15  -0.499 -11.530 -11.530
  121    H    GLN  16           H        GLN  16   2.499  -7.834  -7.834
  122    HA   GLN  16           HA       GLN  16   3.631  -8.054  -8.054
  123   1HB   GLN  16          2HB       GLN  16   1.034  -6.736  -6.736
  124   2HB   GLN  16          1HB       GLN  16   1.527  -7.140  -7.140
  125   1HG   GLN  16          2HG       GLN  16   1.469  -9.539  -9.539
  126   2HG   GLN  16          1HG       GLN  16  -0.067  -8.742  -8.742
  127   1HE2  GLN  16          2HE2      GLN  16   1.507  -9.998  -9.998
  128   2HE2  GLN  16          1HE2      GLN  16   2.583  -9.286  -9.286
  129    H    CYS  17           H        CYS  17   2.314  -5.749  -5.749
  130    HA   CYS  17           HA       CYS  17   3.027  -3.302  -3.302
  131   1HB   CYS  17          2HB       CYS  17   1.820  -3.822  -3.822
  132   2HB   CYS  17          1HB       CYS  17   3.373  -4.003  -4.003
  133    H    LYS  18           H        LYS  18   5.060  -5.560  -5.560
  134    HA   LYS  18           HA       LYS  18   7.406  -3.755  -3.755
  135   1HB   LYS  18          2HB       LYS  18   6.829  -4.854  -4.854
  136   2HB   LYS  18          1HB       LYS  18   7.150  -6.416  -6.416
  137   1HG   LYS  18          2HG       LYS  18   9.575  -5.414  -5.414
  138   2HG   LYS  18          1HG       LYS  18   9.133  -4.211  -4.211
  139   1HD   LYS  18          2HD       LYS  18   8.989  -7.224  -7.224
  140   2HD   LYS  18          1HD       LYS  18  10.305  -6.222  -6.222
  141   1HE   LYS  18          2HE       LYS  18   8.827  -5.043  -5.043
  142   2HE   LYS  18          1HE       LYS  18   7.390  -5.770  -5.770
  143   1HZ   LYS  18          3HZ       LYS  18   9.128  -7.826  -7.826
  144   2HZ   LYS  18          2HZ       LYS  18   8.984  -6.784  -6.784
  145   3HZ   LYS  18          1HZ       LYS  18   7.599  -7.471  -7.471
  146    H    HIS  19           H        HIS  19   6.018  -6.309  -6.309
  147    HA   HIS  19           HA       HIS  19   8.610  -6.899  -6.899
  148   1HB   HIS  19          2HB       HIS  19   6.336  -8.880  -8.880
  149   2HB   HIS  19          1HB       HIS  19   7.806  -9.226  -9.226
  150    HD1  HIS  19          1HD       HIS  19  10.036  -8.300  -8.300
  151    HD2  HIS  19          2HD       HIS  19   6.692  -9.784  -9.784
  152    HE1  HIS  19          1HE       HIS  19  10.707  -9.059  -9.059
  153    H    SER  20           H        SER  20   5.205  -6.843  -6.843
  154    HA   SER  20           HA       SER  20   5.173  -6.685  -6.685
  155   1HB   SER  20          2HB       SER  20   2.965  -6.932  -6.932
  156   2HB   SER  20          1HB       SER  20   2.859  -7.052  -7.052
  157    HG   SER  20           HG       SER  20   4.862  -8.607  -8.607
  158    H    MET  21           H        MET  21   6.060  -4.578  -4.578
  159    HA   MET  21           HA       MET  21   4.679  -2.251  -2.251
  160   1HB   MET  21          2HB       MET  21   6.459  -2.757  -2.757
  161   2HB   MET  21          1HB       MET  21   5.737  -1.190  -1.190
  162   1HG   MET  21          2HG       MET  21   6.797  -1.526  -1.526
  163   2HG   MET  21          1HG       MET  21   7.839  -2.610  -2.610
  164   1HE   MET  21          2HE       MET  21   6.081   0.668   0.668
  165   2HE   MET  21          1HE       MET  21   6.963   1.135   1.135
  166   3HE   MET  21          3HE       MET  21   7.348   1.850   1.850
  167   1HN   DNP  22           HN       DAP  22   3.711  -4.612  -4.612
  168    HA   DNP  22           HA       DAP  22   2.112  -2.907  -2.907
  169   1HB   DNP  22          1HB       DAP  22   0.701  -4.877  -4.877
  170   2HB   DNP  22          2HB       DAP  22   1.334  -5.737  -5.737
  171   1HG   DNP  22          1HG       DAP  22   2.356  -5.690  -5.690
  172   2HG   DNP  22          2HG       DAP  22   3.003  -6.498  -6.498
  173   3HG   DNP  22          3HG       DAP  22   3.503  -4.904  -4.904
  174    H    TYR  23           H        TYR  23   1.898  -3.091  -3.091
  175    HA   TYR  23           HA       TYR  23  -0.877  -2.067  -2.067
  176   1HB   TYR  23          2HB       TYR  23   0.251  -3.622  -3.622
  177   2HB   TYR  23          1HB       TYR  23  -1.429  -3.329  -3.329
  178    HD1  TYR  23          1HD       TYR  23  -2.269  -4.232  -4.232
  179    HD2  TYR  23          2HD       TYR  23   1.154  -5.716  -5.716
  180    HE1  TYR  23          1HE       TYR  23  -2.500  -6.334  -6.334
  181    HE2  TYR  23          2HE       TYR  23   0.937  -7.838  -7.838
  182    HH   TYR  23           HH       TYR  23  -0.109  -8.899  -8.899
  183    H    ARG  24           H        ARG  24   1.798  -2.319  -2.319
  184    HA   ARG  24           HA       ARG  24   1.700   0.097   0.097
  185   1HB   ARG  24          2HB       ARG  24   2.985  -1.568  -1.568
  186   2HB   ARG  24          1HB       ARG  24   3.735  -2.027  -2.027
  187   1HG   ARG  24          2HG       ARG  24   5.503  -1.106  -1.106
  188   2HG   ARG  24          1HG       ARG  24   4.724   0.424   0.424
  189   1HD   ARG  24          2HD       ARG  24   4.373   0.885   0.885
  190   2HD   ARG  24          1HD       ARG  24   4.182  -0.827  -0.827
  191    HE   ARG  24           HE       ARG  24   6.543  -1.130  -1.130
  192   1HH1  ARG  24          1HH2      ARG  24   7.388   1.515   1.515
  193   2HH1  ARG  24          2HH2      ARG  24   8.010   2.302   2.302
  194   1HH2  ARG  24          2HH1      ARG  24   6.289  -0.067  -0.067
  195   2HH2  ARG  24          1HH1      ARG  24   7.287   1.334   1.334
  196    H    LEU  25           H        LEU  25   2.657  -0.339  -0.339
  197    HA   LEU  25           HA       LEU  25   4.309   1.953   1.953
  198   1HB   LEU  25          2HB       LEU  25   4.064   0.189   0.189
  199   2HB   LEU  25          1HB       LEU  25   2.459   0.442   0.442
  200    HG   LEU  25           HG       LEU  25   3.210   2.788   2.788
  201   1HD1  LEU  25          2HD1      LEU  25   5.362   2.926   2.926
  202   2HD1  LEU  25          1HD1      LEU  25   5.987   1.563   1.563
  203   3HD1  LEU  25          3HD1      LEU  25   5.621   3.079   3.079
  204   1HD2  LEU  25          2HD2      LEU  25   4.519   0.294   0.294
  205   2HD2  LEU  25          1HD2      LEU  25   2.865   0.795   0.795
  206   3HD2  LEU  25          3HD2      LEU  25   4.199   1.777   1.777
  207    H    SER  26           H        SER  26   1.108   1.681   1.681
  208    HA   SER  26           HA       SER  26   0.400   4.245   4.245
  209   1HB   SER  26          2HB       SER  26   1.067   3.968   3.968
  210   2HB   SER  26          1HB       SER  26  -0.459   4.824   4.824
  211    HG   SER  26           HG       SER  26   2.003   5.228   5.228
  212    H    PHE  27           H        PHE  27  -0.387   1.427   1.427
  213    HA   PHE  27           HA       PHE  27  -3.291   1.824   1.824
  214   1HB   PHE  27          2HB       PHE  27  -2.078  -0.692  -0.692
  215   2HB   PHE  27          1HB       PHE  27  -3.566  -0.497  -0.497
  216    HD1  PHE  27          2HD       PHE  27   0.090   0.122   0.122
  217    HD2  PHE  27          1HD       PHE  27  -3.692  -1.201  -1.201
  218    HE1  PHE  27          2HE       PHE  27   1.107  -0.419  -0.419
  219    HE2  PHE  27          1HE       PHE  27  -2.657  -1.758  -1.758
  220    HZ   PHE  27           HZ       PHE  27  -0.260  -1.376  -1.376
  221    H    CYS  28           H        CYS  28  -1.049   1.079   1.079
  222    HA   CYS  28           HA       CYS  28  -3.230   1.693   1.693
  223   1HB   CYS  28          2HB       CYS  28  -0.726   0.506   0.506
  224   2HB   CYS  28          1HB       CYS  28  -2.391   0.016   0.016
  225    H    ARG  29           H        ARG  29  -2.223   3.877   3.877
  226    HA   ARG  29           HA       ARG  29   0.061   5.195   5.195
  227   1HB   ARG  29          2HB       ARG  29  -2.736   6.088   6.088
  228   2HB   ARG  29          1HB       ARG  29  -1.675   7.220   7.220
  229   1HG   ARG  29          2HG       ARG  29  -1.623   7.800   7.800
  230   2HG   ARG  29          1HG       ARG  29  -0.141   6.897   6.897
  231   1HD   ARG  29          2HD       ARG  29  -1.168   4.885   4.885
  232   2HD   ARG  29          1HD       ARG  29  -2.706   5.658   5.658
  233    HE   ARG  29           HE       ARG  29  -0.220   6.244   6.244
  234   1HH1  ARG  29          2HH1      ARG  29  -1.046   8.545   8.545
  235   2HH1  ARG  29          1HH1      ARG  29  -2.455   8.535   8.535
  236   1HH2  ARG  29          1HH2      ARG  29  -3.102   5.179   5.179
  237   2HH2  ARG  29          2HH2      ARG  29  -3.776   6.452   6.452
  238    H    LYS  30           H        LYS  30  -2.877   5.473   5.473
  239    HA   LYS  30           HA       LYS  30  -1.392   6.552   6.552
  240   1HB   LYS  30          2HB       LYS  30  -4.294   5.694   5.694
  241   2HB   LYS  30          1HB       LYS  30  -3.505   6.544   6.544
  242   1HG   LYS  30          2HG       LYS  30  -2.808   8.303   8.303
  243   2HG   LYS  30          1HG       LYS  30  -3.677   7.444   7.444
  244   1HD   LYS  30          2HD       LYS  30  -5.705   8.262   8.262
  245   2HD   LYS  30          1HD       LYS  30  -5.456   7.921   7.921
  246   1HE   LYS  30          2HE       LYS  30  -4.048  10.232  10.232
  247   2HE   LYS  30          1HE       LYS  30  -5.583  10.454  10.454
  248   1HZ   LYS  30          3HZ       LYS  30  -3.872   9.055   9.055
  249   2HZ   LYS  30          2HZ       LYS  30  -3.031  10.406  10.406
  250   3HZ   LYS  30          1HZ       LYS  30  -4.536  10.600  10.600
  251    H    THR  31           H        THR  31  -3.348   3.838   3.838
  252    HA   THR  31           HA       THR  31  -3.366   2.198   2.198
  253    HB   THR  31           HB       THR  31  -3.206   1.660   1.660
  254    HG1  THR  31          1HG       THR  31  -5.073   2.611   2.611
  255   1HG2  THR  31          3HG2      THR  31  -4.039  -0.230  -0.230
  256   2HG2  THR  31          2HG2      THR  31  -4.104  -0.489  -0.489
  257   3HG2  THR  31          1HG2      THR  31  -2.545  -0.478  -0.478
  258    H    CYS  32           H        CYS  32  -0.644   2.590   2.590
  259    HA   CYS  32           HA       CYS  32   0.979   0.826   0.826
  260   1HB   CYS  32          2HB       CYS  32   1.176   1.417   1.417
  261   2HB   CYS  32          1HB       CYS  32   2.640   1.092   1.092
  262    H    GLY  33           H        GLY  33   0.855   3.804   3.804
  263   1HA   GLY  33          2HA       GLY  33   1.538   5.958   5.958
  264   2HA   GLY  33          1HA       GLY  33   2.655   5.102   5.102
  265    H    THR  34           H        THR  34   1.932   5.024   5.024
  266    HA   THR  34           HA       THR  34   4.762   5.636   5.636
  267    HB   THR  34           HB       THR  34   3.838   3.734   3.734
  268    HG1  THR  34          1HG       THR  34   3.073   3.279   3.279
  269   1HG2  THR  34          3HG2      THR  34   5.413   3.246   3.246
  270   2HG2  THR  34          2HG2      THR  34   5.465   2.274   2.274
  271   3HG2  THR  34          1HG2      THR  34   6.151   3.890   3.890
  272    H    CYS  35           HN       CYS  35   2.394   7.351   7.351
  273    HA   CYS  35           HA       CYS  35   2.022   7.807   7.807
  274   1HB   CYS  35          2HB       CYS  35   0.666   9.663   9.663
  275   2HB   CYS  35          1HB       CYS  35   0.198   8.058   8.058

  Start of MODEL   18
    1   1H    ARG   1          3H        ARG   1  -2.263  18.171  18.171
    2   2H    ARG   1          2H        ARG   1  -0.678  18.770  18.770
    3   3H    ARG   1          1H        ARG   1  -1.669  18.798  18.798
    4    HA   ARG   1           HA       ARG   1  -1.005  16.759  16.759
    5   1HB   ARG   1          2HB       ARG   1   0.655  15.551  15.551
    6   2HB   ARG   1          1HB       ARG   1   1.187  17.115  17.115
    7   1HG   ARG   1          2HG       ARG   1   0.682  18.174  18.174
    8   2HG   ARG   1          1HG       ARG   1  -0.196  16.754  16.754
    9   1HD   ARG   1          2HD       ARG   1   1.838  15.434  15.434
   10   2HD   ARG   1          1HD       ARG   1   2.764  16.653  16.653
   11    HE   ARG   1           HE       ARG   1   3.120  16.694  16.694
   12   1HH1  ARG   1          1HH2      ARG   1   2.881  19.384  19.384
   13   2HH1  ARG   1          2HH2      ARG   1   1.773  20.156  20.156
   14   1HH2  ARG   1          1HH1      ARG   1   0.597  16.982  16.982
   15   2HH2  ARG   1          2HH1      ARG   1   0.386  18.674  18.674
   16    H    SER   2           H        SER   2  -2.154  14.829  14.829
   17    HA   SER   2           HA       SER   2  -3.405  14.006  14.006
   18   1HB   SER   2          2HB       SER   2  -5.049  14.214  14.214
   19   2HB   SER   2          1HB       SER   2  -5.646  14.008  14.008
   20    HG   SER   2           HG       SER   2  -5.428  16.276  16.276
   21    H    CYS   3           H        CYS   3  -2.708  11.914  11.914
   22    HA   CYS   3           HA       CYS   3  -2.763  10.115  10.115
   23   1HB   CYS   3          2HB       CYS   3  -0.606  10.678  10.678
   24   2HB   CYS   3          1HB       CYS   3  -0.846   8.997   8.997
   25    H    ILE   4           H        ILE   4  -4.538   8.859   8.859
   26    HA   ILE   4           HA       ILE   4  -5.219   7.897   7.897
   27    HB   ILE   4           HB       ILE   4  -7.600   7.905   7.905
   28   1HG1  ILE   4          2HG1      ILE   4  -8.070   9.400   9.400
   29   2HG1  ILE   4          1HG1      ILE   4  -6.389   9.217   9.217
   30   1HG2  ILE   4          3HG2      ILE   4  -6.139  10.573  10.573
   31   2HG2  ILE   4          2HG2      ILE   4  -7.866  10.378  10.378
   32   3HG2  ILE   4          1HG2      ILE   4  -6.743   9.822   9.822
   33   1HD1  ILE   4          2HD1      ILE   4  -8.391   6.936   6.936
   34   2HD1  ILE   4          1HD1      ILE   4  -7.849   7.637   7.637
   35   3HD1  ILE   4          3HD1      ILE   4  -6.734   6.734   6.734
   36    H    ASP   5           H        ASP   5  -6.230   5.809   5.809
   37    HA   ASP   5           HA       ASP   5  -4.803   3.976   3.976
   38   1HB   ASP   5          2HB       ASP   5  -6.871   3.265   3.265
   39   2HB   ASP   5          1HB       ASP   5  -5.602   2.256   2.256
   40    H    THR   6           H        THR   6  -5.868   2.329   2.329
   41    HA   THR   6           HA       THR   6  -8.775   2.605   2.605
   42    HB   THR   6           HB       THR   6  -7.639   4.133   4.133
   43    HG1  THR   6          1HG       THR   6  -8.643   1.651   1.651
   44   1HG2  THR   6          1HG2      THR   6  -6.157   1.630   1.630
   45   2HG2  THR   6          3HG2      THR   6  -6.079   3.223   3.223
   46   3HG2  THR   6          2HG2      THR   6  -5.390   2.958   2.958
   47    H    ILE   7           H        ILE   7  -6.926   0.890   0.890
   48    HA   ILE   7           HA       ILE   7  -7.415  -1.676  -1.676
   49    HB   ILE   7           HB       ILE   7  -5.029  -0.828  -0.828
   50   1HG1  ILE   7          2HG1      ILE   7  -3.893  -2.830  -2.830
   51   2HG1  ILE   7          1HG1      ILE   7  -5.502  -3.391  -3.391
   52   1HG2  ILE   7          2HG2      ILE   7  -5.020   0.353   0.353
   53   2HG2  ILE   7          1HG2      ILE   7  -5.122  -1.186  -1.186
   54   3HG2  ILE   7          3HG2      ILE   7  -3.732  -0.808  -0.808
   55   1HD1  ILE   7          3HD1      ILE   7  -6.074  -3.306  -3.306
   56   2HD1  ILE   7          2HD1      ILE   7  -4.436  -2.777  -2.777
   57   3HD1  ILE   7          1HD1      ILE   7  -4.729  -4.382  -4.382
   58    HA   PRO   8           HA       PRO   8  -8.559  -3.070  -3.070
   59   1HB   PRO   8          2HB       PRO   8  -8.262  -5.718  -5.718
   60   2HB   PRO   8          1HB       PRO   8  -9.657  -4.918  -4.918
   61   1HG   PRO   8          2HG       PRO   8  -6.924  -5.471  -5.471
   62   2HG   PRO   8          1HG       PRO   8  -8.503  -6.038  -6.038
   63   1HD   PRO   8          2HD       PRO   8  -7.565  -3.789  -3.789
   64   2HD   PRO   8          1HD       PRO   8  -9.258  -3.793  -3.793
   65    H    LYS   9           H        LYS   9  -7.175  -2.748  -2.748
   66    HA   LYS   9           HA       LYS   9  -4.396  -2.665  -2.665
   67   1HB   LYS   9          2HB       LYS   9  -5.892  -1.766  -1.766
   68   2HB   LYS   9          1HB       LYS   9  -5.987  -3.403  -3.403
   69   1HG   LYS   9          2HG       LYS   9  -3.250  -2.421  -2.421
   70   2HG   LYS   9          1HG       LYS   9  -4.089  -1.646  -1.646
   71   1HD   LYS   9          2HD       LYS   9  -4.174  -3.763  -3.763
   72   2HD   LYS   9          1HD       LYS   9  -3.606  -4.599  -4.599
   73   1HE   LYS   9          2HE       LYS   9  -1.682  -4.095  -4.095
   74   2HE   LYS   9          1HE       LYS   9  -1.420  -3.447  -3.447
   75   1HZ   LYS   9          1HZ       LYS   9  -2.834  -1.532  -1.532
   76   2HZ   LYS   9          3HZ       LYS   9  -1.441  -2.011  -2.011
   77   3HZ   LYS   9          2HZ       LYS   9  -1.353  -1.337  -1.337
   78    H    SER  10           H        SER  10  -6.613  -5.121  -5.121
   79    HA   SER  10           HA       SER  10  -5.217  -7.143  -7.143
   80   1HB   SER  10          2HB       SER  10  -7.006  -7.827  -7.827
   81   2HB   SER  10          1HB       SER  10  -7.139  -8.460  -8.460
   82    HG   SER  10           HG       SER  10  -8.699  -6.969  -6.969
   83    H    ARG  11           H        ARG  11  -5.120  -5.956  -5.956
   84    HA   ARG  11           HA       ARG  11  -3.370  -8.020  -8.020
   85   1HB   ARG  11          2HB       ARG  11  -5.148  -6.401  -6.401
   86   2HB   ARG  11          1HB       ARG  11  -3.809  -5.278  -5.278
   87   1HG   ARG  11          2HG       ARG  11  -3.825  -6.423  -6.423
   88   2HG   ARG  11          1HG       ARG  11  -2.422  -6.892  -6.892
   89   1HD   ARG  11          2HD       ARG  11  -3.544  -8.978  -8.978
   90   2HD   ARG  11          1HD       ARG  11  -4.985  -8.529  -8.529
   91    HE   ARG  11           HE       ARG  11  -2.276  -8.868  -8.868
   92   1HH1  ARG  11          1HH2      ARG  11  -4.585  -8.014  -8.014
   93   2HH1  ARG  11          2HH2      ARG  11  -5.101  -9.459  -9.459
   94   1HH2  ARG  11          2HH1      ARG  11  -3.320 -11.394 -11.394
   95   2HH2  ARG  11          1HH1      ARG  11  -4.330 -11.574 -11.574
   96    H    CYS  12           H        CYS  12  -3.143  -4.887  -4.887
   97    HA   CYS  12           HA       CYS  12  -0.172  -4.900  -4.900
   98   1HB   CYS  12          2HB       CYS  12  -2.160  -2.767  -2.767
   99   2HB   CYS  12          1HB       CYS  12  -0.891  -2.524  -2.524
  100    H    THR  13           H        THR  13  -1.195  -6.777  -6.777
  101    HA   THR  13           HA       THR  13  -1.218  -6.265  -6.265
  102    HB   THR  13           HB       THR  13  -2.165  -8.409  -8.409
  103    HG1  THR  13          1HG       THR  13  -0.181  -9.775  -9.775
  104   1HG2  THR  13          2HG2      THR  13   0.573  -8.984  -8.984
  105   2HG2  THR  13          1HG2      THR  13  -0.799 -10.098 -10.098
  106   3HG2  THR  13          3HG2      THR  13  -0.914  -8.624  -8.624
  107    H    ALA  14           H        ALA  14   0.599  -7.114  -7.114
  108    HA   ALA  14           HA       ALA  14   2.956  -5.599  -5.599
  109   1HB   ALA  14          2HB       ALA  14   2.363  -6.492  -6.492
  110   2HB   ALA  14          1HB       ALA  14   2.700  -8.127  -8.127
  111   3HB   ALA  14          3HB       ALA  14   3.992  -6.946  -6.946
  112    H    PHE  15           H        PHE  15   1.959  -8.602  -8.602
  113    HA   PHE  15           HA       PHE  15   4.480  -9.752  -9.752
  114   1HB   PHE  15          2HB       PHE  15   1.966 -10.533 -10.533
  115   2HB   PHE  15          1HB       PHE  15   3.231 -11.531 -11.531
  116    HD1  PHE  15          2HD       PHE  15   2.924 -10.111 -10.111
  117    HD2  PHE  15          1HD       PHE  15   0.293 -12.025 -12.025
  118    HE1  PHE  15          2HE       PHE  15   1.431 -10.715 -10.715
  119    HE2  PHE  15          1HE       PHE  15  -1.192 -12.635 -12.635
  120    HZ   PHE  15           HZ       PHE  15  -0.628 -11.977 -11.977
  121    H    GLN  16           H        GLN  16   2.228  -7.607  -7.607
  122    HA   GLN  16           HA       GLN  16   3.904  -7.734  -7.734
  123   1HB   GLN  16          2HB       GLN  16   1.063  -6.627  -6.627
  124   2HB   GLN  16          1HB       GLN  16   1.909  -7.216  -7.216
  125   1HG   GLN  16          2HG       GLN  16   1.925  -9.386  -9.386
  126   2HG   GLN  16          1HG       GLN  16   0.345  -8.671  -8.671
  127   1HE2  GLN  16          2HE2      GLN  16   1.590 -10.641 -10.641
  128   2HE2  GLN  16          1HE2      GLN  16   2.751 -10.144 -10.144
  129    H    CYS  17           H        CYS  17   2.691  -5.757  -5.757
  130    HA   CYS  17           HA       CYS  17   3.055  -3.111  -3.111
  131   1HB   CYS  17          2HB       CYS  17   2.139  -3.871  -3.871
  132   2HB   CYS  17          1HB       CYS  17   3.758  -4.066  -4.066
  133    H    LYS  18           H        LYS  18   5.284  -5.419  -5.419
  134    HA   LYS  18           HA       LYS  18   7.527  -3.487  -3.487
  135   1HB   LYS  18          2HB       LYS  18   7.276  -4.500  -4.500
  136   2HB   LYS  18          1HB       LYS  18   7.855  -5.995  -5.995
  137   1HG   LYS  18          2HG       LYS  18   9.741  -4.774  -4.774
  138   2HG   LYS  18          1HG       LYS  18   9.931  -4.853  -4.853
  139   1HD   LYS  18          2HD       LYS  18   9.237  -2.585  -2.585
  140   2HD   LYS  18          1HD       LYS  18   8.528  -2.419  -2.419
  141   1HE   LYS  18          2HE       LYS  18  11.492  -2.716  -2.716
  142   2HE   LYS  18          1HE       LYS  18  10.684  -1.234  -1.234
  143   1HZ   LYS  18          3HZ       LYS  18  10.038  -3.198  -3.198
  144   2HZ   LYS  18          2HZ       LYS  18  11.713  -3.266  -3.266
  145   3HZ   LYS  18          1HZ       LYS  18  10.970  -1.814  -1.814
  146    H    HIS  19           H        HIS  19   5.916  -5.761  -5.761
  147    HA   HIS  19           HA       HIS  19   8.267  -6.651  -6.651
  148   1HB   HIS  19          2HB       HIS  19   6.066  -8.472  -8.472
  149   2HB   HIS  19          1HB       HIS  19   7.253  -8.937  -8.937
  150    HD1  HIS  19          1HD       HIS  19   9.789  -8.435  -8.435
  151    HD2  HIS  19          2HD       HIS  19   6.942  -8.948  -8.948
  152    HE1  HIS  19          1HE       HIS  19  10.934  -9.025  -9.025
  153    H    SER  20           H        SER  20   4.727  -6.246  -6.246
  154    HA   SER  20           HA       SER  20   4.865  -6.566  -6.566
  155   1HB   SER  20          2HB       SER  20   2.413  -6.184  -6.184
  156   2HB   SER  20          1HB       SER  20   2.542  -6.849  -6.849
  157    HG   SER  20           HG       SER  20   4.242  -8.086  -8.086
  158    H    MET  21           H        MET  21   5.875  -4.578  -4.578
  159    HA   MET  21           HA       MET  21   4.853  -1.977  -1.977
  160   1HB   MET  21          2HB       MET  21   6.079  -1.185  -1.185
  161   2HB   MET  21          1HB       MET  21   7.078  -2.318  -2.318
  162   1HG   MET  21          2HG       MET  21   7.256  -3.610  -3.610
  163   2HG   MET  21          1HG       MET  21   5.542  -3.857  -3.857
  164   1HE   MET  21          2HE       MET  21   3.957  -1.984  -1.984
  165   2HE   MET  21          1HE       MET  21   4.877  -0.511  -0.511
  166   3HE   MET  21          3HE       MET  21   4.370  -0.958  -0.958
  167   1HN   DNP  22           HN       DAP  22   3.441  -4.373  -4.373
  168    HA   DNP  22           HA       DAP  22   2.000  -2.553  -2.553
  169   1HB   DNP  22          1HB       DAP  22   0.424  -4.277  -4.277
  170   2HB   DNP  22          2HB       DAP  22   0.625  -4.978  -4.978
  171   1HG   DNP  22          1HG       DAP  22   1.985  -5.635  -5.635
  172   2HG   DNP  22          2HG       DAP  22   2.183  -6.324  -6.324
  173   3HG   DNP  22          3HG       DAP  22   3.127  -4.983  -4.983
  174    H    TYR  23           H        TYR  23   1.391  -3.584  -3.584
  175    HA   TYR  23           HA       TYR  23  -0.956  -1.745  -1.745
  176   1HB   TYR  23          2HB       TYR  23  -0.219  -3.309  -3.309
  177   2HB   TYR  23          1HB       TYR  23  -1.809  -3.004  -3.004
  178    HD1  TYR  23          2HD       TYR  23  -2.101  -4.224  -4.224
  179    HD2  TYR  23          1HD       TYR  23   0.469  -5.526  -5.526
  180    HE1  TYR  23          2HE       TYR  23  -2.148  -6.510  -6.510
  181    HE2  TYR  23          1HE       TYR  23   0.423  -7.766  -7.766
  182    HH   TYR  23           HH       TYR  23  -0.077  -9.012  -9.012
  183    H    ARG  24           H        ARG  24   1.906  -2.547  -2.547
  184    HA   ARG  24           HA       ARG  24   2.134  -0.313  -0.313
  185   1HB   ARG  24          2HB       ARG  24   3.440  -2.729  -2.729
  186   2HB   ARG  24          1HB       ARG  24   4.668  -1.584  -1.584
  187   1HG   ARG  24          2HG       ARG  24   3.142  -1.612  -1.612
  188   2HG   ARG  24          1HG       ARG  24   4.711  -2.351  -2.351
  189   1HD   ARG  24          2HD       ARG  24   3.957   0.594   0.594
  190   2HD   ARG  24          1HD       ARG  24   5.090  -0.249  -0.249
  191    HE   ARG  24           HE       ARG  24   5.523   0.456   0.456
  192   1HH1  ARG  24          1HH2      ARG  24   7.344  -1.387  -1.387
  193   2HH1  ARG  24          2HH2      ARG  24   8.719  -1.033  -1.033
  194   1HH2  ARG  24          2HH1      ARG  24   6.699   1.357   1.357
  195   2HH2  ARG  24          1HH1      ARG  24   8.309   0.720   0.720
  196    H    LEU  25           H        LEU  25   2.303  -0.164  -0.164
  197    HA   LEU  25           HA       LEU  25   4.421   1.851   1.851
  198   1HB   LEU  25          2HB       LEU  25   4.034   0.509   0.509
  199   2HB   LEU  25          1HB       LEU  25   2.380   0.743   0.743
  200    HG   LEU  25           HG       LEU  25   3.104   3.298   3.298
  201   1HD1  LEU  25          1HD1      LEU  25   5.795   1.901   1.901
  202   2HD1  LEU  25          3HD1      LEU  25   5.427   3.548   3.548
  203   3HD1  LEU  25          2HD1      LEU  25   5.379   3.108   3.108
  204   1HD2  LEU  25          2HD2      LEU  25   2.331   1.776   1.776
  205   2HD2  LEU  25          1HD2      LEU  25   3.622   2.827   2.827
  206   3HD2  LEU  25          3HD2      LEU  25   3.962   1.150   1.150
  207    H    SER  26           H        SER  26   1.185   2.026   2.026
  208    HA   SER  26           HA       SER  26   0.722   4.527   4.527
  209   1HB   SER  26          2HB       SER  26   0.386   4.193   4.193
  210   2HB   SER  26          1HB       SER  26   0.029   5.670   5.670
  211    HG   SER  26           HG       SER  26   2.384   5.005   5.005
  212    H    PHE  27           H        PHE  27  -0.230   1.614   1.614
  213    HA   PHE  27           HA       PHE  27  -3.141   2.319   2.319
  214   1HB   PHE  27          2HB       PHE  27  -2.148  -0.402  -0.402
  215   2HB   PHE  27          1HB       PHE  27  -3.742   0.060   0.060
  216    HD1  PHE  27          2HD       PHE  27  -1.473   1.791   1.791
  217    HD2  PHE  27          1HD       PHE  27  -3.199  -2.032  -2.032
  218    HE1  PHE  27          2HE       PHE  27  -1.015   1.110   1.110
  219    HE2  PHE  27          1HE       PHE  27  -2.738  -2.697  -2.697
  220    HZ   PHE  27           HZ       PHE  27  -1.641  -1.144  -1.144
  221    H    CYS  28           H        CYS  28  -1.051   1.065   1.065
  222    HA   CYS  28           HA       CYS  28  -3.306   1.686   1.686
  223   1HB   CYS  28          2HB       CYS  28  -0.919   0.293   0.293
  224   2HB   CYS  28          1HB       CYS  28  -2.598  -0.163  -0.163
  225    H    ARG  29           H        ARG  29  -2.211   3.725   3.725
  226    HA   ARG  29           HA       ARG  29  -0.015   5.109   5.109
  227   1HB   ARG  29          2HB       ARG  29  -2.874   5.850   5.850
  228   2HB   ARG  29          1HB       ARG  29  -1.759   6.981   6.981
  229   1HG   ARG  29          2HG       ARG  29  -2.077   7.733   7.733
  230   2HG   ARG  29          1HG       ARG  29  -0.470   7.061   7.061
  231   1HD   ARG  29          2HD       ARG  29  -1.122   5.105   5.105
  232   2HD   ARG  29          1HD       ARG  29  -2.818   5.563   5.563
  233    HE   ARG  29           HE       ARG  29  -0.622   7.037   7.037
  234   1HH1  ARG  29          2HH1      ARG  29  -2.132   9.074   9.074
  235   2HH1  ARG  29          1HH1      ARG  29  -3.513   8.858   8.858
  236   1HH2  ARG  29          1HH2      ARG  29  -3.058   5.323   5.323
  237   2HH2  ARG  29          2HH2      ARG  29  -4.078   6.521   6.521
  238    H    LYS  30           H        LYS  30  -2.624   5.181   5.181
  239    HA   LYS  30           HA       LYS  30  -0.716   5.874   5.874
  240   1HB   LYS  30          2HB       LYS  30  -3.752   5.806   5.806
  241   2HB   LYS  30          1HB       LYS  30  -2.721   6.417   6.417
  242   1HG   LYS  30          2HG       LYS  30  -1.683   7.919   7.919
  243   2HG   LYS  30          1HG       LYS  30  -3.167   7.526   7.526
  244   1HD   LYS  30          2HD       LYS  30  -4.491   8.394   8.394
  245   2HD   LYS  30          1HD       LYS  30  -2.995   8.787   8.787
  246   1HE   LYS  30          2HE       LYS  30  -2.402  10.229  10.229
  247   2HE   LYS  30          1HE       LYS  30  -4.083  10.024  10.024
  248   1HZ   LYS  30          3HZ       LYS  30  -4.054  10.736  10.736
  249   2HZ   LYS  30          2HZ       LYS  30  -3.045  11.832  11.832
  250   3HZ   LYS  30          1HZ       LYS  30  -4.671  11.625  11.625
  251    H    THR  31           H        THR  31  -3.071   3.579   3.579
  252    HA   THR  31           HA       THR  31  -3.392   1.895   1.895
  253    HB   THR  31           HB       THR  31  -3.281   1.424   1.424
  254    HG1  THR  31          1HG       THR  31  -5.103   2.452   2.452
  255   1HG2  THR  31          3HG2      THR  31  -2.728  -0.769  -0.769
  256   2HG2  THR  31          2HG2      THR  31  -4.220  -0.498  -0.498
  257   3HG2  THR  31          1HG2      THR  31  -4.290  -0.658  -0.658
  258    H    CYS  32           H        CYS  32  -0.529   2.192   2.192
  259    HA   CYS  32           HA       CYS  32   0.877   0.265   0.265
  260   1HB   CYS  32          2HB       CYS  32   0.730  -0.673  -0.673
  261   2HB   CYS  32          1HB       CYS  32   1.349   0.820   0.820
  262    H    GLY  33           H        GLY  33   1.179   3.006   3.006
  263   1HA   GLY  33          2HA       GLY  33   2.019   5.141   5.141
  264   2HA   GLY  33          1HA       GLY  33   3.212   4.183   4.183
  265    H    THR  34           H        THR  34   2.036   4.533   4.533
  266    HA   THR  34           HA       THR  34   4.767   4.114   4.114
  267    HB   THR  34           HB       THR  34   3.668   3.553   3.553
  268    HG1  THR  34          1HG       THR  34   2.291   4.838   4.838
  269   1HG2  THR  34          3HG2      THR  34   2.616   2.050   2.050
  270   2HG2  THR  34          2HG2      THR  34   1.309   3.209   3.209
  271   3HG2  THR  34          1HG2      THR  34   1.566   2.352   2.352
  272    H    CYS  35           HN       CYS  35   2.196   6.578   6.578
  273    HA   CYS  35           HA       CYS  35   4.276   8.644   8.644
  274   1HB   CYS  35          2HB       CYS  35   2.826   9.694   9.694
  275   2HB   CYS  35          1HB       CYS  35   3.503   8.288   8.288

  Start of MODEL   19
    1   1H    ARG   1          2H        ARG   1   0.898  16.007  16.007
    2   2H    ARG   1          1H        ARG   1   2.406  16.014  16.014
    3   3H    ARG   1          3H        ARG   1   1.495  17.456  17.456
    4    HA   ARG   1           HA       ARG   1   0.387  16.999  16.999
    5   1HB   ARG   1          2HB       ARG   1   2.316  14.599  14.599
    6   2HB   ARG   1          1HB       ARG   1   1.081  14.660  14.660
    7   1HG   ARG   1          2HG       ARG   1   3.192  15.560  15.560
    8   2HG   ARG   1          1HG       ARG   1   1.949  16.782  16.782
    9   1HD   ARG   1          2HD       ARG   1   2.958  17.851  17.851
   10   2HD   ARG   1          1HD       ARG   1   4.174  16.561  16.561
   11    HE   ARG   1           HE       ARG   1   3.910  18.411  18.411
   12   1HH1  ARG   1          1HH2      ARG   1   5.924  16.847  16.847
   13   2HH1  ARG   1          2HH2      ARG   1   7.370  17.317  17.317
   14   1HH2  ARG   1          1HH1      ARG   1   5.528  19.003  19.003
   15   2HH2  ARG   1          2HH1      ARG   1   7.136  18.609  18.609
   16    H    SER   2           H        SER   2  -1.082  14.965  14.965
   17    HA   SER   2           HA       SER   2  -2.392  13.661  13.661
   18   1HB   SER   2          2HB       SER   2  -4.046  14.765  14.765
   19   2HB   SER   2          1HB       SER   2  -4.498  14.615  14.615
   20    HG   SER   2           HG       SER   2  -3.757  16.798  16.798
   21    H    CYS   3           H        CYS   3  -3.287  11.628  11.628
   22    HA   CYS   3           HA       CYS   3  -3.518  10.548  10.548
   23   1HB   CYS   3          2HB       CYS   3  -1.754   8.802   8.802
   24   2HB   CYS   3          1HB       CYS   3  -1.013  10.383  10.383
   25    H    ILE   4           H        ILE   4  -4.664   8.484   8.484
   26    HA   ILE   4           HA       ILE   4  -5.532   7.863   7.863
   27    HB   ILE   4           HB       ILE   4  -7.892   7.673   7.673
   28   1HG1  ILE   4          2HG1      ILE   4  -8.193   9.165   9.165
   29   2HG1  ILE   4          1HG1      ILE   4  -6.563   8.637   8.637
   30   1HG2  ILE   4          1HG2      ILE   4  -7.219   9.715   9.715
   31   2HG2  ILE   4          3HG2      ILE   4  -6.689  10.449  10.449
   32   3HG2  ILE   4          2HG2      ILE   4  -8.387  10.089  10.089
   33   1HD1  ILE   4          2HD1      ILE   4  -8.885   6.728   6.728
   34   2HD1  ILE   4          1HD1      ILE   4  -8.222   7.102   7.102
   35   3HD1  ILE   4          3HD1      ILE   4  -7.249   6.241   6.241
   36    H    ASP   5           H        ASP   5  -6.166   5.688   5.688
   37    HA   ASP   5           HA       ASP   5  -4.830   3.804   3.804
   38   1HB   ASP   5          2HB       ASP   5  -6.796   3.217   3.217
   39   2HB   ASP   5          1HB       ASP   5  -5.517   2.157   2.157
   40    H    THR   6           H        THR   6  -5.961   2.017   2.017
   41    HA   THR   6           HA       THR   6  -8.855   2.271   2.271
   42    HB   THR   6           HB       THR   6  -7.668   3.788   3.788
   43    HG1  THR   6          1HG       THR   6  -9.345   2.902   2.902
   44   1HG2  THR   6          3HG2      THR   6  -5.465   2.456   2.456
   45   2HG2  THR   6          2HG2      THR   6  -6.360   1.215   1.215
   46   3HG2  THR   6          1HG2      THR   6  -6.163   2.811   2.811
   47    H    ILE   7           H        ILE   7  -7.020   0.675   0.675
   48    HA   ILE   7           HA       ILE   7  -7.446  -1.971  -1.971
   49    HB   ILE   7           HB       ILE   7  -5.083  -0.989  -0.989
   50   1HG1  ILE   7          2HG1      ILE   7  -3.793  -2.909  -2.909
   51   2HG1  ILE   7          1HG1      ILE   7  -5.135  -3.519  -3.519
   52   1HG2  ILE   7          1HG2      ILE   7  -5.147   0.130   0.130
   53   2HG2  ILE   7          3HG2      ILE   7  -5.069  -1.438  -1.438
   54   3HG2  ILE   7          2HG2      ILE   7  -3.738  -0.867  -0.867
   55   1HD1  ILE   7          3HD1      ILE   7  -5.129  -3.155  -3.155
   56   2HD1  ILE   7          2HD1      ILE   7  -4.990  -4.701  -4.701
   57   3HD1  ILE   7          1HD1      ILE   7  -6.477  -3.785  -3.785
   58    HA   PRO   8           HA       PRO   8  -8.562  -3.334  -3.334
   59   1HB   PRO   8          2HB       PRO   8  -7.884  -5.954  -5.954
   60   2HB   PRO   8          1HB       PRO   8  -9.495  -5.309  -5.309
   61   1HG   PRO   8          2HG       PRO   8  -7.071  -5.394  -5.394
   62   2HG   PRO   8          1HG       PRO   8  -8.663  -6.140  -6.140
   63   1HD   PRO   8          2HD       PRO   8  -8.400  -3.735  -3.735
   64   2HD   PRO   8          1HD       PRO   8  -9.752  -3.919  -3.919
   65    H    LYS   9           H        LYS   9  -7.093  -2.791  -2.791
   66    HA   LYS   9           HA       LYS   9  -4.323  -2.532  -2.532
   67   1HB   LYS   9          2HB       LYS   9  -5.670  -1.661  -1.661
   68   2HB   LYS   9          1HB       LYS   9  -5.790  -3.286  -3.286
   69   1HG   LYS   9          2HG       LYS   9  -3.004  -2.331  -2.331
   70   2HG   LYS   9          1HG       LYS   9  -3.838  -1.622  -1.622
   71   1HD   LYS   9          2HD       LYS   9  -4.005  -3.786  -3.786
   72   2HD   LYS   9          1HD       LYS   9  -3.469  -4.632  -4.632
   73   1HE   LYS   9          2HE       LYS   9  -1.562  -4.341  -4.341
   74   2HE   LYS   9          1HE       LYS   9  -1.236  -3.565  -3.565
   75   1HZ   LYS   9          1HZ       LYS   9  -2.585  -1.724  -1.724
   76   2HZ   LYS   9          3HZ       LYS   9  -1.280  -2.364  -2.364
   77   3HZ   LYS   9          2HZ       LYS   9  -1.035  -1.594  -1.594
   78    H    SER  10           H        SER  10  -6.348  -5.094  -5.094
   79    HA   SER  10           HA       SER  10  -4.814  -7.077  -7.077
   80   1HB   SER  10          2HB       SER  10  -6.747  -7.788  -7.788
   81   2HB   SER  10          1HB       SER  10  -6.771  -8.395  -8.395
   82    HG   SER  10           HG       SER  10  -8.308  -6.894  -6.894
   83    H    ARG  11           H        ARG  11  -4.920  -5.877  -5.877
   84    HA   ARG  11           HA       ARG  11  -2.964  -7.825  -7.825
   85   1HB   ARG  11          2HB       ARG  11  -5.121  -6.380  -6.380
   86   2HB   ARG  11          1HB       ARG  11  -3.703  -5.532  -5.532
   87   1HG   ARG  11          2HG       ARG  11  -4.279  -7.276  -7.276
   88   2HG   ARG  11          1HG       ARG  11  -2.737  -7.623  -7.623
   89   1HD   ARG  11          2HD       ARG  11  -4.247  -9.124  -9.124
   90   2HD   ARG  11          1HD       ARG  11  -5.403  -8.999  -8.999
   91    HE   ARG  11           HE       ARG  11  -2.587 -10.014 -10.014
   92   1HH1  ARG  11          2HH1      ARG  11  -3.725  -9.716  -9.716
   93   2HH1  ARG  11          1HH1      ARG  11  -4.702 -11.102 -11.102
   94   1HH2  ARG  11          1HH2      ARG  11  -4.757 -11.890 -11.890
   95   2HH2  ARG  11          2HH2      ARG  11  -5.327 -12.452 -12.452
   96    H    CYS  12           H        CYS  12  -2.809  -5.328  -5.328
   97    HA   CYS  12           HA       CYS  12  -0.194  -4.321  -4.321
   98   1HB   CYS  12          2HB       CYS  12  -2.330  -2.915  -2.915
   99   2HB   CYS  12          1HB       CYS  12  -0.954  -2.238  -2.238
  100    H    THR  13           H        THR  13  -1.256  -6.635  -6.635
  101    HA   THR  13           HA       THR  13  -0.688  -6.124  -6.124
  102    HB   THR  13           HB       THR  13  -2.003  -8.177  -8.177
  103    HG1  THR  13          1HG       THR  13  -0.134  -9.710  -9.710
  104   1HG2  THR  13          3HG2      THR  13   0.412  -9.114  -9.114
  105   2HG2  THR  13          2HG2      THR  13  -1.078 -10.015 -10.015
  106   3HG2  THR  13          1HG2      THR  13  -1.121  -8.596  -8.596
  107    H    ALA  14           H        ALA  14   1.210  -6.681  -6.681
  108    HA   ALA  14           HA       ALA  14   3.559  -5.553  -5.553
  109   1HB   ALA  14          2HB       ALA  14   3.417  -8.178  -8.178
  110   2HB   ALA  14          1HB       ALA  14   4.801  -7.102  -7.102
  111   3HB   ALA  14          3HB       ALA  14   3.335  -6.572  -6.572
  112    H    PHE  15           H        PHE  15   2.423  -8.644  -8.644
  113    HA   PHE  15           HA       PHE  15   4.675  -9.839  -9.839
  114   1HB   PHE  15          2HB       PHE  15   1.946 -10.407 -10.407
  115   2HB   PHE  15          1HB       PHE  15   3.198 -11.521 -11.521
  116    HD1  PHE  15          1HD       PHE  15   3.349 -10.315 -10.315
  117    HD2  PHE  15          2HD       PHE  15   0.215 -11.855 -11.855
  118    HE1  PHE  15          1HE       PHE  15   2.088 -10.936 -10.936
  119    HE2  PHE  15          2HE       PHE  15  -1.033 -12.481 -12.481
  120    HZ   PHE  15           HZ       PHE  15  -0.109 -12.020 -12.020
  121    H    GLN  16           H        GLN  16   1.949  -8.082  -8.082
  122    HA   GLN  16           HA       GLN  16   3.172  -7.797  -7.797
  123   1HB   GLN  16          2HB       GLN  16   0.694  -6.321  -6.321
  124   2HB   GLN  16          1HB       GLN  16   1.107  -6.500  -6.500
  125   1HG   GLN  16          2HG       GLN  16   1.135  -9.091  -9.091
  126   2HG   GLN  16          1HG       GLN  16  -0.344  -8.308  -8.308
  127   1HE2  GLN  16          2HE2      GLN  16  -0.801  -8.027  -8.027
  128   2HE2  GLN  16          1HE2      GLN  16  -0.255  -6.800  -6.800
  129    H    CYS  17           H        CYS  17   2.346  -5.563  -5.563
  130    HA   CYS  17           HA       CYS  17   3.382  -3.202  -3.202
  131   1HB   CYS  17          2HB       CYS  17   3.094  -4.414  -4.414
  132   2HB   CYS  17          1HB       CYS  17   4.250  -3.149  -3.149
  133    H    LYS  18           H        LYS  18   5.199  -5.896  -5.896
  134    HA   LYS  18           HA       LYS  18   7.706  -4.449  -4.449
  135   1HB   LYS  18          2HB       LYS  18   7.393  -5.309  -5.309
  136   2HB   LYS  18          1HB       LYS  18   7.099  -6.916  -6.916
  137   1HG   LYS  18          2HG       LYS  18   9.722  -5.849  -5.849
  138   2HG   LYS  18          1HG       LYS  18   9.572  -5.857  -5.857
  139   1HD   LYS  18          2HD       LYS  18   9.244  -8.193  -8.193
  140   2HD   LYS  18          1HD       LYS  18   8.681  -8.354  -8.354
  141   1HE   LYS  18          2HE       LYS  18  11.557  -7.637  -7.637
  142   2HE   LYS  18          1HE       LYS  18  11.009  -9.257  -9.257
  143   1HZ   LYS  18          1HZ       LYS  18  10.102  -7.535  -7.535
  144   2HZ   LYS  18          3HZ       LYS  18  11.725  -7.152  -7.152
  145   3HZ   LYS  18          2HZ       LYS  18  11.269  -8.745  -8.745
  146    H    HIS  19           H        HIS  19   5.862  -7.003  -7.003
  147    HA   HIS  19           HA       HIS  19   8.228  -7.589  -7.589
  148   1HB   HIS  19          2HB       HIS  19   6.449  -9.660  -9.660
  149   2HB   HIS  19          1HB       HIS  19   7.134 -10.000 -10.000
  150    HD1  HIS  19          1HD       HIS  19   9.803  -9.655  -9.655
  151    HD2  HIS  19          2HD       HIS  19   8.057 -10.414 -10.414
  152    HE1  HIS  19          1HE       HIS  19  11.534 -10.554 -10.554
  153    H    SER  20           H        SER  20   5.569  -6.039  -6.039
  154    HA   SER  20           HA       SER  20   4.847  -6.819  -6.819
  155   1HB   SER  20          2HB       SER  20   2.751  -6.470  -6.470
  156   2HB   SER  20          1HB       SER  20   2.546  -6.949  -6.949
  157    HG   SER  20           HG       SER  20   4.364  -8.575  -8.575
  158    H    MET  21           H        MET  21   6.109  -4.676  -4.676
  159    HA   MET  21           HA       MET  21   4.910  -2.262  -2.262
  160   1HB   MET  21          2HB       MET  21   6.612  -2.772  -2.772
  161   2HB   MET  21          1HB       MET  21   6.038  -1.176  -1.176
  162   1HG   MET  21          2HG       MET  21   7.154  -1.885  -1.885
  163   2HG   MET  21          1HG       MET  21   8.161  -2.802  -2.802
  164   1HE   MET  21          3HE       MET  21   6.397   0.653   0.653
  165   2HE   MET  21          2HE       MET  21   7.348   0.719   0.719
  166   3HE   MET  21          1HE       MET  21   7.753   1.750   1.750
  167   1HN   DNP  22           HN       DAP  22   3.900  -4.453  -4.453
  168    HA   DNP  22           HA       DAP  22   2.314  -2.639  -2.639
  169   1HB   DNP  22          1HB       DAP  22   0.939  -4.599  -4.599
  170   2HB   DNP  22          2HB       DAP  22   1.556  -5.532  -5.532
  171   1HG   DNP  22          1HG       DAP  22   2.665  -5.271  -5.271
  172   2HG   DNP  22          2HG       DAP  22   3.241  -6.190  -6.190
  173   3HG   DNP  22          3HG       DAP  22   3.779  -4.584  -4.584
  174    H    TYR  23           H        TYR  23   1.977  -2.853  -2.853
  175    HA   TYR  23           HA       TYR  23  -0.865  -2.092  -2.092
  176   1HB   TYR  23          2HB       TYR  23   0.377  -3.696  -3.696
  177   2HB   TYR  23          1HB       TYR  23  -1.319  -3.259  -3.259
  178    HD1  TYR  23          1HD       TYR  23   1.355  -5.246  -5.246
  179    HD2  TYR  23          2HD       TYR  23  -2.792  -4.435  -4.435
  180    HE1  TYR  23          1HE       TYR  23   0.945  -7.257  -7.257
  181    HE2  TYR  23          2HE       TYR  23  -3.218  -6.422  -6.422
  182    HH   TYR  23           HH       TYR  23  -0.742  -8.745  -8.745
  183    H    ARG  24           H        ARG  24   1.699  -2.187  -2.187
  184    HA   ARG  24           HA       ARG  24   1.533  -0.013  -0.013
  185   1HB   ARG  24          2HB       ARG  24   3.096  -1.804  -1.804
  186   2HB   ARG  24          1HB       ARG  24   4.011  -1.066  -1.066
  187   1HG   ARG  24          2HG       ARG  24   4.497   0.733   0.733
  188   2HG   ARG  24          1HG       ARG  24   3.122   0.736   0.736
  189   1HD   ARG  24          2HD       ARG  24   4.684   0.171   0.171
  190   2HD   ARG  24          1HD       ARG  24   4.360  -1.447  -1.447
  191    HE   ARG  24           HE       ARG  24   6.288  -0.994  -0.994
  192   1HH1  ARG  24          1HH2      ARG  24   6.843   1.601   1.601
  193   2HH1  ARG  24          2HH2      ARG  24   8.223   1.210   1.210
  194   1HH2  ARG  24          2HH1      ARG  24   7.449  -2.245  -2.245
  195   2HH2  ARG  24          1HH1      ARG  24   8.650  -1.250  -1.250
  196    H    LEU  25           H        LEU  25   2.880  -0.112  -0.112
  197    HA   LEU  25           HA       LEU  25   4.073   2.397   2.397
  198   1HB   LEU  25          2HB       LEU  25   4.321   0.409   0.409
  199   2HB   LEU  25          1HB       LEU  25   2.823   0.614   0.614
  200    HG   LEU  25           HG       LEU  25   3.580   2.905   2.905
  201   1HD1  LEU  25          3HD1      LEU  25   5.494   3.267   3.267
  202   2HD1  LEU  25          2HD1      LEU  25   6.335   1.917   1.917
  203   3HD1  LEU  25          1HD1      LEU  25   5.997   3.360   3.360
  204   1HD2  LEU  25          3HD2      LEU  25   5.187   0.451   0.451
  205   2HD2  LEU  25          2HD2      LEU  25   3.564   0.867   0.867
  206   3HD2  LEU  25          1HD2      LEU  25   4.913   1.900   1.900
  207    H    SER  26           H        SER  26   1.244   1.507   1.507
  208    HA   SER  26           HA       SER  26   0.274   4.325   4.325
  209   1HB   SER  26          2HB       SER  26   0.870   2.870   2.870
  210   2HB   SER  26          1HB       SER  26  -0.729   3.598   3.598
  211    HG   SER  26           HG       SER  26   1.807   4.793   4.793
  212    H    PHE  27           H        PHE  27  -0.410   1.317   1.317
  213    HA   PHE  27           HA       PHE  27  -3.387   1.787   1.787
  214   1HB   PHE  27          2HB       PHE  27  -2.206  -0.784  -0.784
  215   2HB   PHE  27          1HB       PHE  27  -3.798  -0.457  -0.457
  216    HD1  PHE  27          1HD       PHE  27  -0.362   0.095   0.095
  217    HD2  PHE  27          2HD       PHE  27  -4.282  -1.568  -1.568
  218    HE1  PHE  27          1HE       PHE  27   0.184  -0.682  -0.682
  219    HE2  PHE  27          2HE       PHE  27  -3.729  -2.362  -2.362
  220    HZ   PHE  27           HZ       PHE  27  -1.493  -1.929  -1.929
  221    H    CYS  28           H        CYS  28  -1.014   1.108   1.108
  222    HA   CYS  28           HA       CYS  28  -3.149   1.596   1.596
  223   1HB   CYS  28          2HB       CYS  28  -0.621   0.345   0.345
  224   2HB   CYS  28          1HB       CYS  28  -2.286  -0.119  -0.119
  225    H    ARG  29           H        ARG  29  -1.933   3.539   3.539
  226    HA   ARG  29           HA       ARG  29   0.184   5.013   5.013
  227   1HB   ARG  29          2HB       ARG  29  -2.657   5.577   5.577
  228   2HB   ARG  29          1HB       ARG  29  -1.646   6.896   6.896
  229   1HG   ARG  29          2HG       ARG  29  -0.304   6.844   6.844
  230   2HG   ARG  29          1HG       ARG  29  -0.627   5.156   5.156
  231   1HD   ARG  29          2HD       ARG  29  -2.507   5.521   5.521
  232   2HD   ARG  29          1HD       ARG  29  -3.009   6.914   6.914
  233    HE   ARG  29           HE       ARG  29  -1.779   8.328   8.328
  234   1HH1  ARG  29          1HH2      ARG  29   0.720   8.194   8.194
  235   2HH1  ARG  29          2HH2      ARG  29   0.996   7.102   7.102
  236   1HH2  ARG  29          2HH1      ARG  29  -2.173   5.685   5.685
  237   2HH2  ARG  29          1HH1      ARG  29  -0.672   5.763   5.763
  238    H    LYS  30           H        LYS  30  -2.637   5.223   5.223
  239    HA   LYS  30           HA       LYS  30  -0.977   6.449   6.449
  240   1HB   LYS  30          2HB       LYS  30  -3.923   5.841   5.841
  241   2HB   LYS  30          1HB       LYS  30  -2.982   7.151   7.151
  242   1HG   LYS  30          2HG       LYS  30  -3.271   7.259   7.259
  243   2HG   LYS  30          1HG       LYS  30  -4.790   7.298   7.298
  244   1HD   LYS  30          2HD       LYS  30  -4.201   9.630   9.630
  245   2HD   LYS  30          1HD       LYS  30  -3.715   9.197   9.197
  246   1HE   LYS  30          2HE       LYS  30  -1.245   9.017   9.017
  247   2HE   LYS  30          1HE       LYS  30  -1.795   9.423   9.423
  248   1HZ   LYS  30          1HZ       LYS  30  -2.822  11.389  11.389
  249   2HZ   LYS  30          3HZ       LYS  30  -1.181  11.233  11.233
  250   3HZ   LYS  30          2HZ       LYS  30  -1.594  11.535  11.535
  251    H    THR  31           H        THR  31  -3.210   3.933   3.933
  252    HA   THR  31           HA       THR  31  -3.416   2.440   2.440
  253    HB   THR  31           HB       THR  31  -3.275   1.562   1.562
  254    HG1  THR  31          1HG       THR  31  -5.186   2.597   2.597
  255   1HG2  THR  31          2HG2      THR  31  -3.944  -0.182  -0.182
  256   2HG2  THR  31          1HG2      THR  31  -4.048  -0.538  -0.538
  257   3HG2  THR  31          3HG2      THR  31  -2.471  -0.386  -0.386
  258    H    CYS  32           H        CYS  32  -0.546   2.503   2.503
  259    HA   CYS  32           HA       CYS  32   0.651   0.578   0.578
  260   1HB   CYS  32          2HB       CYS  32   0.719   0.001   0.001
  261   2HB   CYS  32          1HB       CYS  32   1.819   1.349   1.349
  262    H    GLY  33           H        GLY  33   1.101   3.600   3.600
  263   1HA   GLY  33          2HA       GLY  33   1.924   5.512   5.512
  264   2HA   GLY  33          1HA       GLY  33   3.057   4.372   4.372
  265    H    THR  34           H        THR  34   2.109   5.156   5.156
  266    HA   THR  34           HA       THR  34   5.024   5.270   5.270
  267    HB   THR  34           HB       THR  34   3.750   5.327   5.327
  268    HG1  THR  34          1HG       THR  34   2.074   3.626   3.626
  269   1HG2  THR  34          3HG2      THR  34   5.389   3.491   3.491
  270   2HG2  THR  34          2HG2      THR  34   3.970   2.784   2.784
  271   3HG2  THR  34          1HG2      THR  34   4.112   2.866   2.866
  272    H    CYS  35           HN       CYS  35   1.993   7.240   7.240
  273    HA   CYS  35           HA       CYS  35   3.754   9.582   9.582
  274   1HB   CYS  35          2HB       CYS  35   1.813  10.270  10.270
  275   2HB   CYS  35          1HB       CYS  35   2.957   9.157   9.157

  Start of MODEL   20
    1   1H    ARG   1          2H        ARG   1  -0.602  17.627  17.627
    2   2H    ARG   1          1H        ARG   1   0.839  17.871  17.871
    3   3H    ARG   1          3H        ARG   1  -0.428  19.008  19.008
    4    HA   ARG   1           HA       ARG   1  -1.352  17.859  17.859
    5   1HB   ARG   1          2HB       ARG   1   0.996  15.968  15.968
    6   2HB   ARG   1          1HB       ARG   1  -0.157  15.590  15.590
    7   1HG   ARG   1          2HG       ARG   1   1.321  18.260  18.260
    8   2HG   ARG   1          1HG       ARG   1   2.064  16.794  16.794
    9   1HD   ARG   1          2HD       ARG   1   0.081  16.445  16.445
   10   2HD   ARG   1          1HD       ARG   1  -0.583  17.980  17.980
   11    HE   ARG   1           HE       ARG   1   2.129  17.845  17.845
   12   1HH1  ARG   1          1HH1      ARG   1   1.475  20.463  20.463
   13   2HH1  ARG   1          2HH1      ARG   1   0.580  21.151  21.151
   14   1HH2  ARG   1          1HH2      ARG   1  -0.076  17.940  17.940
   15   2HH2  ARG   1          2HH2      ARG   1  -0.368  19.617  19.617
   16    H    SER   2           H        SER   2  -2.747  15.884  15.884
   17    HA   SER   2           HA       SER   2  -3.304  14.391  14.391
   18   1HB   SER   2          2HB       SER   2  -5.422  15.475  15.475
   19   2HB   SER   2          1HB       SER   2  -5.697  14.783  14.783
   20    HG   SER   2           HG       SER   2  -5.275  16.706  16.706
   21    H    CYS   3           H        CYS   3  -3.497  12.170  12.170
   22    HA   CYS   3           HA       CYS   3  -4.011  11.199  11.199
   23   1HB   CYS   3          2HB       CYS   3  -1.926   9.823   9.823
   24   2HB   CYS   3          1HB       CYS   3  -1.607  11.519  11.519
   25    H    ILE   4           H        ILE   4  -4.862   9.086   9.086
   26    HA   ILE   4           HA       ILE   4  -5.215   8.022   8.022
   27    HB   ILE   4           HB       ILE   4  -7.623   7.529   7.529
   28   1HG1  ILE   4          2HG1      ILE   4  -8.483   9.112   9.112
   29   2HG1  ILE   4          1HG1      ILE   4  -6.849   9.096   9.096
   30   1HG2  ILE   4          3HG2      ILE   4  -7.069   9.537   9.537
   31   2HG2  ILE   4          2HG2      ILE   4  -6.846  10.470  10.470
   32   3HG2  ILE   4          1HG2      ILE   4  -8.435   9.850   9.850
   33   1HD1  ILE   4          1HD1      ILE   4  -8.587   6.621   6.621
   34   2HD1  ILE   4          3HD1      ILE   4  -8.232   7.389   7.389
   35   3HD1  ILE   4          2HD1      ILE   4  -6.962   6.586   6.586
   36    H    ASP   5           H        ASP   5  -5.828   5.937   5.937
   37    HA   ASP   5           HA       ASP   5  -4.508   4.009   4.009
   38   1HB   ASP   5          2HB       ASP   5  -6.439   3.546   3.546
   39   2HB   ASP   5          1HB       ASP   5  -5.257   2.448   2.448
   40    H    THR   6           H        THR   6  -5.833   2.194   2.194
   41    HA   THR   6           HA       THR   6  -8.739   2.557   2.557
   42    HB   THR   6           HB       THR   6  -7.850   3.988   3.988
   43    HG1  THR   6          1HG       THR   6  -8.727   1.415   1.415
   44   1HG2  THR   6          2HG2      THR   6  -6.364   1.486   1.486
   45   2HG2  THR   6          1HG2      THR   6  -6.441   3.037   3.037
   46   3HG2  THR   6          3HG2      THR   6  -5.581   2.895   2.895
   47    H    ILE   7           H        ILE   7  -6.809   0.919   0.919
   48    HA   ILE   7           HA       ILE   7  -7.419  -1.707  -1.707
   49    HB   ILE   7           HB       ILE   7  -4.990  -0.851  -0.851
   50   1HG1  ILE   7          2HG1      ILE   7  -3.917  -2.962  -2.962
   51   2HG1  ILE   7          1HG1      ILE   7  -5.491  -3.465  -3.465
   52   1HG2  ILE   7          1HG2      ILE   7  -5.009   0.201   0.201
   53   2HG2  ILE   7          3HG2      ILE   7  -5.103  -1.382  -1.382
   54   3HG2  ILE   7          2HG2      ILE   7  -3.710  -0.941  -0.941
   55   1HD1  ILE   7          2HD1      ILE   7  -6.311  -3.336  -3.336
   56   2HD1  ILE   7          1HD1      ILE   7  -4.685  -2.905  -2.905
   57   3HD1  ILE   7          3HD1      ILE   7  -5.010  -4.487  -4.487
   58    HA   PRO   8           HA       PRO   8  -8.479  -2.965  -2.965
   59   1HB   PRO   8          2HB       PRO   8  -8.293  -5.627  -5.627
   60   2HB   PRO   8          1HB       PRO   8  -9.682  -4.775  -4.775
   61   1HG   PRO   8          2HG       PRO   8  -7.006  -5.428  -5.428
   62   2HG   PRO   8          1HG       PRO   8  -8.612  -5.976  -5.976
   63   1HD   PRO   8          2HD       PRO   8  -7.678  -3.764  -3.764
   64   2HD   PRO   8          1HD       PRO   8  -9.336  -3.692  -3.692
   65    H    LYS   9           H        LYS   9  -7.097  -2.700  -2.700
   66    HA   LYS   9           HA       LYS   9  -4.298  -2.759  -2.759
   67   1HB   LYS   9          2HB       LYS   9  -5.568  -1.750  -1.750
   68   2HB   LYS   9          1HB       LYS   9  -5.997  -3.344  -3.344
   69   1HG   LYS   9          2HG       LYS   9  -3.072  -2.752  -2.752
   70   2HG   LYS   9          1HG       LYS   9  -3.868  -2.063  -2.063
   71   1HD   LYS   9          2HD       LYS   9  -4.364  -4.319  -4.319
   72   2HD   LYS   9          1HD       LYS   9  -3.796  -5.059  -5.059
   73   1HE   LYS   9          2HE       LYS   9  -1.977  -5.173  -5.173
   74   2HE   LYS   9          1HE       LYS   9  -1.500  -4.116  -4.116
   75   1HZ   LYS   9          2HZ       LYS   9  -2.858  -2.601  -2.601
   76   2HZ   LYS   9          1HZ       LYS   9  -1.614  -3.484  -3.484
   77   3HZ   LYS   9          3HZ       LYS   9  -1.258  -2.442  -2.442
   78    H    SER  10           H        SER  10  -6.619  -5.053  -5.053
   79    HA   SER  10           HA       SER  10  -5.447  -7.262  -7.262
   80   1HB   SER  10          2HB       SER  10  -7.207  -7.660  -7.660
   81   2HB   SER  10          1HB       SER  10  -7.406  -8.370  -8.370
   82    HG   SER  10           HG       SER  10  -8.845  -6.770  -6.770
   83    H    ARG  11           H        ARG  11  -5.173  -5.992  -5.992
   84    HA   ARG  11           HA       ARG  11  -3.560  -8.194  -8.194
   85   1HB   ARG  11          2HB       ARG  11  -5.234  -6.496  -6.496
   86   2HB   ARG  11          1HB       ARG  11  -3.813  -5.465  -5.465
   87   1HG   ARG  11          2HG       ARG  11  -3.888  -6.657  -6.657
   88   2HG   ARG  11          1HG       ARG  11  -2.538  -7.198  -7.198
   89   1HD   ARG  11          2HD       ARG  11  -3.797  -9.211  -9.211
   90   2HD   ARG  11          1HD       ARG  11  -5.192  -8.682  -8.682
   91    HE   ARG  11           HE       ARG  11  -2.496  -9.131  -9.131
   92   1HH1  ARG  11          1HH2      ARG  11  -4.892  -8.312  -8.312
   93   2HH1  ARG  11          2HH2      ARG  11  -5.437  -9.773  -9.773
   94   1HH2  ARG  11          2HH1      ARG  11  -3.528 -11.666 -11.666
   95   2HH2  ARG  11          1HH1      ARG  11  -4.579 -11.852 -11.852
   96    H    CYS  12           H        CYS  12  -3.186  -5.002  -5.002
   97    HA   CYS  12           HA       CYS  12  -0.208  -5.148  -5.148
   98   1HB   CYS  12          2HB       CYS  12  -2.112  -2.949  -2.949
   99   2HB   CYS  12          1HB       CYS  12  -0.761  -2.776  -2.776
  100    H    THR  13           H        THR  13  -1.143  -7.018  -7.018
  101    HA   THR  13           HA       THR  13  -1.206  -6.653  -6.653
  102    HB   THR  13           HB       THR  13  -2.207  -8.697  -8.697
  103    HG1  THR  13          1HG       THR  13  -0.171 -10.106 -10.106
  104   1HG2  THR  13          1HG2      THR  13   0.529  -9.367  -9.367
  105   2HG2  THR  13          3HG2      THR  13  -0.898 -10.409 -10.409
  106   3HG2  THR  13          2HG2      THR  13  -0.948  -8.910  -8.910
  107    H    ALA  14           H        ALA  14   0.544  -7.730  -7.730
  108    HA   ALA  14           HA       ALA  14   2.929  -6.221  -6.221
  109   1HB   ALA  14          2HB       ALA  14   2.522  -8.805  -8.805
  110   2HB   ALA  14          1HB       ALA  14   3.869  -7.698  -7.698
  111   3HB   ALA  14          3HB       ALA  14   2.246  -7.178  -7.178
  112    H    PHE  15           H        PHE  15   1.968  -8.962  -8.962
  113    HA   PHE  15           HA       PHE  15   4.723  -9.866  -9.866
  114   1HB   PHE  15          2HB       PHE  15   2.442 -11.121 -11.121
  115   2HB   PHE  15          1HB       PHE  15   3.788 -11.866 -11.866
  116    HD1  PHE  15          1HD       PHE  15   3.520 -10.914 -10.914
  117    HD2  PHE  15          2HD       PHE  15   0.497 -12.128 -12.128
  118    HE1  PHE  15          1HE       PHE  15   2.047 -11.506 -11.506
  119    HE2  PHE  15          2HE       PHE  15  -0.975 -12.717 -12.717
  120    HZ   PHE  15           HZ       PHE  15  -0.199 -12.403 -12.403
  121    H    GLN  16           H        GLN  16   2.262  -7.885  -7.885
  122    HA   GLN  16           HA       GLN  16   3.744  -7.857  -7.857
  123   1HB   GLN  16          2HB       GLN  16   0.914  -6.791  -6.791
  124   2HB   GLN  16          1HB       GLN  16   1.621  -7.270  -7.270
  125   1HG   GLN  16          2HG       GLN  16   1.792  -9.559  -9.559
  126   2HG   GLN  16          1HG       GLN  16   0.211  -8.861  -8.861
  127   1HE2  GLN  16          2HE2      GLN  16   1.652 -10.639 -10.639
  128   2HE2  GLN  16          1HE2      GLN  16   2.760 -10.080 -10.080
  129    H    CYS  17           H        CYS  17   2.581  -5.983  -5.983
  130    HA   CYS  17           HA       CYS  17   2.976  -3.320  -3.320
  131   1HB   CYS  17          2HB       CYS  17   2.032  -4.072  -4.072
  132   2HB   CYS  17          1HB       CYS  17   3.635  -4.302  -4.302
  133    H    LYS  18           H        LYS  18   5.122  -5.702  -5.702
  134    HA   LYS  18           HA       LYS  18   7.478  -3.838  -3.838
  135   1HB   LYS  18          2HB       LYS  18   6.950  -5.760  -5.760
  136   2HB   LYS  18          1HB       LYS  18   8.009  -6.635  -6.635
  137   1HG   LYS  18          2HG       LYS  18   9.428  -5.580  -5.580
  138   2HG   LYS  18          1HG       LYS  18   9.653  -4.739  -4.739
  139   1HD   LYS  18          2HD       LYS  18   8.132  -2.907  -2.907
  140   2HD   LYS  18          1HD       LYS  18   7.773  -3.780  -3.780
  141   1HE   LYS  18          2HE       LYS  18  10.207  -3.645  -3.645
  142   2HE   LYS  18          1HE       LYS  18  10.535  -2.749  -2.749
  143   1HZ   LYS  18          3HZ       LYS  18   8.413  -1.477  -1.477
  144   2HZ   LYS  18          2HZ       LYS  18   9.675  -1.763  -1.763
  145   3HZ   LYS  18          1HZ       LYS  18   9.969  -0.873  -0.873
  146    H    HIS  19           H        HIS  19   5.805  -6.122  -6.122
  147    HA   HIS  19           HA       HIS  19   8.159  -6.438  -6.438
  148   1HB   HIS  19          2HB       HIS  19   6.167  -8.623  -8.623
  149   2HB   HIS  19          1HB       HIS  19   7.490  -8.757  -8.757
  150    HD1  HIS  19          1HD       HIS  19   9.882  -7.959  -7.959
  151    HD2  HIS  19          2HD       HIS  19   6.953  -9.504  -9.504
  152    HE1  HIS  19          1HE       HIS  19  10.944  -8.776  -8.776
  153    H    SER  20           H        SER  20   4.591  -6.535  -6.535
  154    HA   SER  20           HA       SER  20   4.539  -6.577  -6.577
  155   1HB   SER  20          2HB       SER  20   2.341  -5.981  -5.981
  156   2HB   SER  20          1HB       SER  20   2.133  -6.502  -6.502
  157    HG   SER  20           HG       SER  20   2.232  -8.442  -8.442
  158    H    MET  21           H        MET  21   5.816  -4.754  -4.754
  159    HA   MET  21           HA       MET  21   5.136  -1.989  -1.989
  160   1HB   MET  21          2HB       MET  21   7.306  -3.044  -3.044
  161   2HB   MET  21          1HB       MET  21   6.379  -3.080  -3.080
  162   1HG   MET  21          2HG       MET  21   7.632  -1.149  -1.149
  163   2HG   MET  21          1HG       MET  21   6.100  -0.529  -0.529
  164   1HE   MET  21          3HE       MET  21   5.565   0.498   0.498
  165   2HE   MET  21          2HE       MET  21   6.615   1.202   1.202
  166   3HE   MET  21          1HE       MET  21   6.611   1.859   1.859
  167   1HN   DNP  22           HN       DAP  22   3.754  -4.292  -4.292
  168    HA   DNP  22           HA       DAP  22   2.409  -2.315  -2.315
  169   1HB   DNP  22          1HB       DAP  22   0.738  -4.014  -4.014
  170   2HB   DNP  22          2HB       DAP  22   1.220  -4.966  -4.966
  171   1HG   DNP  22          1HG       DAP  22   3.512  -4.419  -4.419
  172   2HG   DNP  22          2HG       DAP  22   2.290  -5.049  -5.049
  173   3HG   DNP  22          3HG       DAP  22   2.806  -5.924  -5.924
  174    H    TYR  23           H        TYR  23   1.459  -3.695  -3.695
  175    HA   TYR  23           HA       TYR  23  -0.866  -1.860  -1.860
  176   1HB   TYR  23          2HB       TYR  23  -0.209  -3.483  -3.483
  177   2HB   TYR  23          1HB       TYR  23  -1.766  -3.066  -3.066
  178    HD1  TYR  23          2HD       TYR  23  -2.050  -4.139  -4.139
  179    HD2  TYR  23          1HD       TYR  23   0.172  -5.737  -5.737
  180    HE1  TYR  23          2HE       TYR  23  -2.299  -6.398  -6.398
  181    HE2  TYR  23          1HE       TYR  23  -0.070  -7.957  -7.957
  182    HH   TYR  23           HH       TYR  23  -0.968  -8.648  -8.648
  183    H    ARG  24           H        ARG  24   1.972  -2.532  -2.532
  184    HA   ARG  24           HA       ARG  24   2.154  -0.357  -0.357
  185   1HB   ARG  24          2HB       ARG  24   3.175  -2.843  -2.843
  186   2HB   ARG  24          1HB       ARG  24   4.517  -1.957  -1.957
  187   1HG   ARG  24          2HG       ARG  24   3.274  -1.714  -1.714
  188   2HG   ARG  24          1HG       ARG  24   4.760  -2.551  -2.551
  189   1HD   ARG  24          2HD       ARG  24   4.235   0.433   0.433
  190   2HD   ARG  24          1HD       ARG  24   5.309  -0.486  -0.486
  191    HE   ARG  24           HE       ARG  24   5.720  -0.204  -0.204
  192   1HH1  ARG  24          2HH1      ARG  24   7.477  -2.140  -2.140
  193   2HH1  ARG  24          1HH1      ARG  24   8.876  -1.491  -1.491
  194   1HH2  ARG  24          1HH2      ARG  24   6.929   1.444   1.444
  195   2HH2  ARG  24          2HH2      ARG  24   8.527   0.818   0.818
  196    H    LEU  25           H        LEU  25   1.944   0.208   0.208
  197    HA   LEU  25           HA       LEU  25   4.208   2.174   2.174
  198   1HB   LEU  25          2HB       LEU  25   4.205   0.700   0.700
  199   2HB   LEU  25          1HB       LEU  25   2.534   0.741   0.741
  200    HG   LEU  25           HG       LEU  25   2.875   3.227   3.227
  201   1HD1  LEU  25          1HD1      LEU  25   5.823   2.497   2.497
  202   2HD1  LEU  25          3HD1      LEU  25   5.206   3.992   3.992
  203   3HD1  LEU  25          2HD1      LEU  25   4.953   3.636   3.636
  204   1HD2  LEU  25          1HD2      LEU  25   4.594   1.157   1.157
  205   2HD2  LEU  25          3HD2      LEU  25   2.870   1.415   1.415
  206   3HD2  LEU  25          2HD2      LEU  25   4.012   2.666   2.666
  207    H    SER  26           H        SER  26   1.220   2.068   2.068
  208    HA   SER  26           HA       SER  26   0.386   4.556   4.556
  209   1HB   SER  26          2HB       SER  26  -0.702   4.988   4.988
  210   2HB   SER  26          1HB       SER  26   1.077   5.078   5.078
  211    HG   SER  26           HG       SER  26  -0.519   3.242   3.242
  212    H    PHE  27           H        PHE  27  -0.310   1.500   1.500
  213    HA   PHE  27           HA       PHE  27  -3.287   2.041   2.041
  214   1HB   PHE  27          2HB       PHE  27  -2.158  -0.628  -0.628
  215   2HB   PHE  27          1HB       PHE  27  -3.760  -0.218  -0.218
  216    HD1  PHE  27          2HD       PHE  27  -1.437   1.484   1.484
  217    HD2  PHE  27          1HD       PHE  27  -3.292  -2.262  -2.262
  218    HE1  PHE  27          2HE       PHE  27  -1.001   0.747   0.747
  219    HE2  PHE  27          1HE       PHE  27  -2.853  -2.987  -2.987
  220    HZ   PHE  27           HZ       PHE  27  -1.704  -1.481  -1.481
  221    H    CYS  28           H        CYS  28  -1.027   1.018   1.018
  222    HA   CYS  28           HA       CYS  28  -3.245   1.504   1.504
  223   1HB   CYS  28          2HB       CYS  28  -0.861   0.060   0.060
  224   2HB   CYS  28          1HB       CYS  28  -2.547  -0.353  -0.353
  225    H    ARG  29           H        ARG  29  -1.996   3.470   3.470
  226    HA   ARG  29           HA       ARG  29   0.269   4.649   4.649
  227   1HB   ARG  29          2HB       ARG  29  -2.495   5.638   5.638
  228   2HB   ARG  29          1HB       ARG  29  -1.166   6.749   6.749
  229   1HG   ARG  29          2HG       ARG  29  -0.159   5.581   5.581
  230   2HG   ARG  29          1HG       ARG  29  -1.647   4.671   4.671
  231   1HD   ARG  29          2HD       ARG  29  -2.203   6.275   6.275
  232   2HD   ARG  29          1HD       ARG  29  -2.750   7.034   7.034
  233    HE   ARG  29           HE       ARG  29  -0.654   8.373   8.373
  234   1HH1  ARG  29          2HH1      ARG  29   1.212   7.297   7.297
  235   2HH1  ARG  29          1HH1      ARG  29   1.118   8.069   8.069
  236   1HH2  ARG  29          1HH2      ARG  29  -2.217   9.088   9.088
  237   2HH2  ARG  29          2HH2      ARG  29  -1.023   9.220   9.220
  238    H    LYS  30           H        LYS  30  -2.470   4.944   4.944
  239    HA   LYS  30           HA       LYS  30  -0.594   5.853   5.853
  240   1HB   LYS  30          2HB       LYS  30  -3.644   5.827   5.827
  241   2HB   LYS  30          1HB       LYS  30  -2.574   6.783   6.783
  242   1HG   LYS  30          2HG       LYS  30  -2.917   7.132   7.132
  243   2HG   LYS  30          1HG       LYS  30  -3.683   8.144   8.144
  244   1HD   LYS  30          2HD       LYS  30  -1.292   8.661   8.661
  245   2HD   LYS  30          1HD       LYS  30  -0.712   7.856   7.856
  246   1HE   LYS  30          2HE       LYS  30  -2.026   9.408   9.408
  247   2HE   LYS  30          1HE       LYS  30  -2.631  10.228  10.228
  248   1HZ   LYS  30          2HZ       LYS  30   0.234  10.087  10.087
  249   2HZ   LYS  30          1HZ       LYS  30  -0.177  10.660  10.660
  250   3HZ   LYS  30          3HZ       LYS  30  -0.737  11.469  11.469
  251    H    THR  31           H        THR  31  -2.277   3.279   3.279
  252    HA   THR  31           HA       THR  31  -2.795   1.961   1.961
  253    HB   THR  31           HB       THR  31  -2.813   1.103   1.103
  254    HG1  THR  31          1HG       THR  31  -4.564   2.150   2.150
  255   1HG2  THR  31          3HG2      THR  31  -3.647  -0.426  -0.426
  256   2HG2  THR  31          2HG2      THR  31  -3.856  -0.924  -0.924
  257   3HG2  THR  31          1HG2      THR  31  -2.242  -0.892  -0.892
  258    H    CYS  32           H        CYS  32  -0.077   2.213   2.213
  259    HA   CYS  32           HA       CYS  32   1.322   0.205   0.205
  260   1HB   CYS  32          2HB       CYS  32   1.163  -0.471  -0.471
  261   2HB   CYS  32          1HB       CYS  32   2.091   0.948   0.948
  262    H    GLY  33           H        GLY  33   1.727   3.156   3.156
  263   1HA   GLY  33          2HA       GLY  33   2.506   5.107   5.107
  264   2HA   GLY  33          1HA       GLY  33   3.737   4.003   4.003
  265    H    THR  34           H        THR  34   2.476   4.932   4.932
  266    HA   THR  34           HA       THR  34   5.240   5.385   5.385
  267    HB   THR  34           HB       THR  34   3.878   5.090   5.090
  268    HG1  THR  34          1HG       THR  34   2.128   3.503   3.503
  269   1HG2  THR  34          2HG2      THR  34   4.028   2.767   2.767
  270   2HG2  THR  34          1HG2      THR  34   3.942   2.637   2.637
  271   3HG2  THR  34          3HG2      THR  34   5.391   3.267   3.267
  272    H    CYS  35           HN       CYS  35   1.962   6.859   6.859
  273    HA   CYS  35           HA       CYS  35   3.329   9.321   9.321
  274   1HB   CYS  35          2HB       CYS  35   1.623   9.632   9.632
  275   2HB   CYS  35          1HB       CYS  35   1.538   7.904   7.904