*HEADER    ANTIMICROBIAL PROTEIN                   07-JUL-07   2RLG              
*TITLE     NMR STRUCTURE OF THE ANTIMICROBIAL PEPTIDE RP-1 BOUND TO              
*TITLE    2 SDS MICELLES                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE RP-1;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: SOLID PHASE SYNTHESIS EMPLOYING FMOC (O-              
*SOURCE   4 FLUORENYLMETHYL-OXYCARBONYL) CHEMISTRY                               
*KEYWDS    ANTIMICROBIAL PEPTIDE, ALPHA-HELIX, AMPHIPATHIC, MICELLE,             
*KEYWDS   2 ANTIMICROBIAL PROTEIN                                                
*EXPDTA    NMR, 10 STRUCTURES                                                    
*AUTHOR    S.BOURBIGOT, E.DODD, C.HORWOOD, V.BOOTH                               
*REVDAT   1   08-JUL-08 2RLG    0                                                


!===================================================================
!================= Sequential NOEs from 1H-NOESY ===================
!===================================================================

assign (residue  2 and name HA)   (residue  3 and name HB#)  5.0 3.2 1.0 !
assign (residue  2 and name HA)   (residue  3 and name HN)   3.4 1.6 0.0 !
assign (residue  2 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  2 and name HB#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  2 and name HD##) (residue  3 and name HD#)  5.0 3.2 6.0 !
assign (residue  2 and name HD##) (residue  3 and name HE#)  5.0 3.2 6.0 !
assign (residue  2 and name HG)   (residue  3 and name HD#)  5.0 3.2 3.0 !
assign (residue  2 and name HG)   (residue  3 and name HE#)  5.0 3.2 3.0 !
assign (residue  3 and name HA)   (residue  2 and name HD##) 5.0 3.2 3.0 !
assign (residue  3 and name HA)   (residue  2 and name HG)   5.0 3.2 0.0 !
assign (residue  3 and name HA)   (residue  4 and name HD#)  5.0 3.2 1.0 ! 
assign (residue  3 and name HA)   (residue  4 and name HE#)  5.0 3.2 1.0 !
assign (residue  3 and name HA)   (residue  4 and name HG#)  5.0 3.2 1.0 !
assign (residue  3 and name HA)   (residue  4 and name HN)   3.4 1.6 0.0 !
assign (residue  3 and name HB#)  (residue  2 and name HB#)  5.0 3.2 2.0 !
assign (residue  3 and name HB#)  (residue  2 and name HG)   5.0 3.2 1.0 ! 
assign (residue  3 and name HB#)  (residue  2 and name HN)   5.0 3.2 1.0 !
assign (residue  3 and name HB#)  (residue  4 and name HB#)  5.0 3.2 2.0 !
assign (residue  3 and name HB#)  (residue  4 and name HD#)  5.0 3.2 2.0 !
assign (residue  3 and name HB#)  (residue  4 and name HG#)  5.0 3.2 2.0 !
assign (residue  3 and name HB#)  (residue  4 and name HN)   3.4 1.6 1.0 !
assign (residue  3 and name HD#)  (residue  4 and name HN)   3.4 1.6 3.0 !
assign (residue  3 and name HN)   (residue  2 and name HN)   5.0 3.2 0.0 !
assign (residue  4 and name HA)   (residue  3 and name HB#)  5.0 3.2 1.0 !
assign (residue  4 and name HA)   (residue  5 and name HG#)  5.0 3.2 1.0 !
assign (residue  4 and name HA)   (residue  5 and name HN)   3.4 1.6 0.0 !
assign (residue  4 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  4 and name HB#)  (residue  3 and name HE#)  3.4 1.6 4.0 !
assign (residue  4 and name HB#)  (residue  5 and name HN)   3.4 1.6 1.0 !
assign (residue  4 and name HD#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  4 and name HD#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  4 and name HE#)  (residue  3 and name HD#)  3.4 1.6 4.0 !
assign (residue  4 and name HE#)  (residue  3 and name HE#)  3.4 1.6 4.0 !
assign (residue  4 and name HE#)  (residue  3 and name HN)   3.4 1.6 1.0 !
assign (residue  4 and name HE#)  (residue  5 and name HD#)  3.4 1.6 2.0 !
assign (residue  4 and name HE#)  (residue  5 and name HG#)  5.0 3.2 2.0 !
assign (residue  4 and name HE#)  (residue  5 and name HN)   5.0 3.2 1.0 !
assign (residue  4 and name HG#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  4 and name HG#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  4 and name HG#)  (residue  3 and name HN)   5.0 3.2 1.0 ! 
assign (residue  4 and name HG#)  (residue  5 and name HG#)  5.0 3.2 2.0 !
assign (residue  4 and name HG#)  (residue  5 and name HN)   5.0 3.2 1.0 !
assign (residue  4 and name HN)   (residue  3 and name HN)   2.8 1.0 0.0 !
assign (residue  4 and name HN)   (residue  5 and name HN)   2.8 1.0 0.0 !
assign (residue  5 and name HA)   (residue  4 and name HE#)  5.0 3.2 1.0 !
assign (residue  5 and name HA)   (residue  4 and name HG#)  3.4 1.6 1.0 !
assign (residue  5 and name HA)   (residue  6 and name HD#)  3.4 1.6 3.0 !
assign (residue  5 and name HA)   (residue  6 and name HE#)  5.0 3.2 3.0 !
assign (residue  5 and name HA)   (residue  6 and name HN)   3.4 1.6 0.0 !
assign (residue  5 and name HD#)  (residue  4 and name HN)   5.0 3.2 1.0 !
assign (residue  5 and name HD#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
assign (residue  5 and name HD#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  5 and name HD#)  (residue  6 and name HN)   3.4 1.6 1.0 !
assign (residue  5 and name HD#)  (residue  6 and name HZ)   5.0 3.2 1.0 !
assign (residue  5 and name HE#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
assign (residue  5 and name HE#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  5 and name HE#)  (residue  6 and name HZ)   5.0 3.2 1.0 !
assign (residue  5 and name HG#)  (residue  4 and name HD#)  5.0 3.2 2.0 !
assign (residue  5 and name HG#)  (residue  4 and name HN)   5.0 3.2 1.0 ! 
assign (residue  5 and name HG#)  (residue  6 and name HD#)  5.0 3.2 4.0 ! 
assign (residue  5 and name HG#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  5 and name HG#)  (residue  6 and name HN)   5.0 3.2 1.0 !
assign (residue  5 and name HN)   (residue  6 and name HN)   2.8 1.0 0.0 !
assign (residue  6 and name HA)   (residue  7 and name HN)   3.4 1.6 0.0 !
assign (residue  6 and name HA)   (residue  8 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HA)   (residue  9 and name HN)   3.4 1.6 0.0 !
assign (residue  6 and name HA)   (residue  5 and name HD#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  5 and name HE#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  7 and name HB#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  7 and name HE#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  7 and name HG#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  7 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HB#)  (residue  5 and name HD#)  5.0 3.2 2.0 !
assign (residue  6 and name HB#)  (residue  5 and name HN)   5.0 3.2 1.0 !
assign (residue  6 and name HB#)  (residue  7 and name HB#)  5.0 3.2 2.0 !
assign (residue  6 and name HB#)  (residue  7 and name HD#)  5.0 3.2 2.0 !
assign (residue  6 and name HB#)  (residue  7 and name HN)   3.4 1.6 1.0 !
assign (residue  6 and name HD#)  (residue  7 and name HN)   5.0 3.2 3.0 !
assign (residue  6 and name HN)   (residue  7 and name HN)   2.8 1.0 0.0 !
assign (residue  7 and name HA)   (residue  6 and name HD#)  3.4 1.6 3.0 !
assign (residue  7 and name HA)   (residue  6 and name HE#)  5.0 3.2 3.0 !
assign (residue  7 and name HB#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  7 and name HE#)  (residue  6 and name HB#)  5.0 3.2 2.0 !
assign (residue  7 and name HE#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
assign (residue  7 and name HE#)  (residue  6 and name HN)   5.0 3.2 1.0 !
assign (residue  7 and name HG#)  (residue  8 and name HN)   3.4 1.6 1.0 !
assign (residue  8 and name HA)   (residue  7 and name HD#)  5.0 3.2 1.0 ! 
assign (residue  8 and name HA)   (residue  7 and name HG#)  5.0 3.2 1.0 !
assign (residue  8 and name HA)   (residue  9 and name HN)   3.4 1.6 0.0 !
assign (residue  8 and name HB#)  (residue  7 and name HN)   3.4 1.6 1.0 !
assign (residue  8 and name HD#)  (residue  7 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HD#)  (residue  9 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HG#)  (residue  9 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HN)   (residue  7 and name HN)   2.8 1.0 0.0 !
assign (residue  9 and name HA)   (residue 10 and name HN)   3.4 1.6 0.0 !
assign (residue  9 and name HE#)  (residue 10 and name HD##) 5.0 3.2 4.0 !
assign (residue  9 and name HE#)  (residue 10 and name HG)   5.0 3.2 1.0 !
assign (residue 11 and name HA)   (residue 10 and name HG)   5.0 3.2 0.0 !
assign (residue 11 and name HA)   (residue 12 and name HN)   3.4 1.6 0.0 !
assign (residue 11 and name HB#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue 11 and name HB#)  (residue 12 and name HN)   5.0 3.2 1.0 ! 
assign (residue 11 and name HD##) (residue 10 and name HN)   5.0 3.2 3.0 !
assign (residue 11 and name HD##) (residue 12 and name HB#)  5.0 3.2 4.0 !
assign (residue 11 and name HD##) (residue 12 and name HG#)  5.0 3.2 4.0 !
assign (residue 11 and name HG)   (residue 10 and name HN)   5.0 3.2 0.0 !
assign (residue 11 and name HG)   (residue 12 and name HN)   5.0 3.2 0.0 !
assign (residue 12 and name HN)   (residue 11 and name HN)   2.8 1.0 0.0 !
assign (residue 13 and name HA)   (residue 12 and name HA)   5.0 3.2 0.0 !
assign (residue 13 and name HA)   (residue 12 and name HG#)  5.0 3.2 1.0 !
assign (residue 13 and name HA)   (residue 14 and name HA)   5.0 3.2 0.0 !
assign (residue 13 and name HB#)  (residue 12 and name HB#)  5.0 3.2 2.0 !
assign (residue 13 and name HB#)  (residue 12 and name HD#)  5.0 3.2 2.0 !
assign (residue 13 and name HB#)  (residue 12 and name HE#)  5.0 3.2 2.0 !
assign (residue 13 and name HB#)  (residue 12 and name HN)   5.0 3.2 1.0 !
assign (residue 13 and name HB#)  (residue 14 and name HB#)  5.0 3.2 2.0 !
assign (residue 13 and name HB#)  (residue 14 and name HG)   5.0 3.2 1.0 !
assign (residue 13 and name HB#)  (residue 14 and name HN)   5.0 3.2 1.0 !
assign (residue 14 and name HA)   (residue 13 and name HB#)  5.0 3.2 1.0 !
assign (residue 14 and name HA)   (residue 15 and name HB#)  5.0 3.2 1.0 !
assign (residue 15 and name HA)   (residue 14 and name HD##) 5.0 3.2 3.0 !
assign (residue 15 and name HA)   (residue 14 and name HG)   3.4 1.6 0.0 !
assign (residue 15 and name HA)   (residue 16 and name HB#)  5.0 3.2 1.0 !
assign (residue 15 and name HG#)  (residue 16 and name HB#)  5.0 3.2 2.0 ! 
assign (residue 16 and name HA)   (residue 17 and name HD##) 3.4 1.6 3.0 !
assign (residue 16 and name HA)   (residue 17 and name HN)   3.4 1.6 0.0 !
assign (residue 16 and name HB#)  (residue 17 and name HN)   5.0 3.2 1.0 ! 
assign (residue 16 and name HD#)  (residue 15 and name HG#)  5.0 3.2 2.0 !
assign (residue 16 and name HD#)  (residue 17 and name HB#)  5.0 3.2 2.0 !
assign (residue 16 and name HD#)  (residue 17 and name HD##) 5.0 3.2 4.0 !
assign (residue 17 and name HA)   (residue 16 and name HE)   5.0 3.2 0.0 !
assign (residue 17 and name HA)   (residue 18 and name HA#)  5.0 3.2 1.0 !
assign (residue 17 and name HA)   (residue 18 and name HN)   3.4 1.6 0.0 !
assign (residue 17 and name HB#)  (residue 16 and name HB#)  5.0 3.2 2.0 !
assign (residue 17 and name HB#)  (residue 16 and name HN)   5.0 3.2 1.0 !
assign (residue 17 and name HB#)  (residue 18 and name HN)   3.4 1.6 1.0 ! 
assign (residue 17 and name HD##) (residue 16 and name HB#)  5.0 3.2 4.0 !
assign (residue 17 and name HD##) (residue 16 and name HE)   5.0 3.2 3.0 !
assign (residue 17 and name HG)   (residue 16 and name HB#)  5.0 3.2 1.0 !
assign (residue 17 and name HG)   (residue 18 and name HN)   5.0 3.2 0.0 !
assign (residue 18 and name HA#)  (residue 17 and name HD##) 5.0 3.2 4.0 !

!===================================================================
!================ Medium Range NOEs from 1H-NOESY ==================
!===================================================================

assign (residue  1 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  1 and name HB#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  1 and name HB#)  (residue  4 and name HN)   5.0 3.2 1.0 !
assign (residue  1 and name HB#)  (residue  3 and name HB#)  5.0 3.2 2.0 !
assign (residue  2 and name HA)   (residue  4 and name HD#)  5.0 3.2 1.0 !
assign (residue  2 and name HA)   (residue  4 and name HG#)  5.0 3.2 1.0 !
assign (residue  2 and name HA)   (residue  4 and name HN)   5.0 3.2 0.0 !
assign (residue  2 and name HA)   (residue  5 and name HG#)  5.0 3.2 1.0 !
assign (residue  2 and name HG)   (residue  4 and name HN)   5.0 3.2 0.0 !
assign (residue  2 and name HG)   (residue  6 and name HD#)  5.0 3.2 3.0 !
assign (residue  2 and name HG)   (residue  6 and name HE#)  5.0 3.2 3.0 !
assign (residue  2 and name HG)   (residue  6 and name HZ)   5.0 3.2 0.0 !
assign (residue  2 and name HD##) (residue  4 and name HN)   5.0 3.2 3.0 !
assign (residue  2 and name HD##) (residue  6 and name HD#)  5.0 3.2 6.0 !
assign (residue  2 and name HD##) (residue  6 and name HE#)  5.0 3.2 6.0 !
assign (residue  3 and name HA)   (residue  6 and name HB#)  5.0 3.2 1.0 !
assign (residue  3 and name HA)   (residue  6 and name HD#)  3.4 1.6 3.0 !
assign (residue  3 and name HA)   (residue  6 and name HE#)  3.4 1.6 3.0 !
assign (residue  3 and name HA)   (residue  6 and name HN)   5.0 3.2 0.0 !
assign (residue  3 and name HA)   (residue  6 and name HZ)   5.0 3.2 0.0 !
assign (residue  3 and name HB#)  (residue  5 and name HN)   5.0 3.2 1.0 !
assign (residue  3 and name HB#)  (residue  6 and name HB#)  5.0 3.2 2.0 !
assign (residue  3 and name HB#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
assign (residue  3 and name HB#)  (residue  6 and name HN)   5.0 3.2 1.0 !
assign (residue  3 and name HD#)  (residue  6 and name HN)   5.0 3.2 3.0 !
assign (residue  4 and name HB#)  (residue  2 and name HN)   3.4 1.6 1.0 ! 
assign (residue  4 and name HD#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  4 and name HE#)  (residue  2 and name HD##) 5.0 3.2 4.0 !
assign (residue  4 and name HE#)  (residue  2 and name HG)   3.4 1.6 1.0 !
assign (residue  4 and name HN)   (residue  2 and name HN)   5.0 3.2 0.0 !
assign (residue  4 and name HN)   (residue  6 and name HN)   5.0 3.2 0.0 !
assign (residue  4 and name HN)   (residue  7 and name HN)   5.0 3.2 0.0 !
assign (residue  5 and name HE#)  (residue  2 and name HB#)  3.4 1.6 2.0 !
assign (residue  5 and name HA)   (residue  8 and name HB#)  5.0 3.2 1.0 !
assign (residue  5 and name HD#)  (residue  2 and name HB#)  5.0 3.2 2.0 !
assign (residue  5 and name HE#)  (residue  2 and name HD##) 5.0 3.2 4.0 !
assign (residue  5 and name HE#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  5 and name HE#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  5 and name HG#)  (residue  8 and name HN)   5.0 3.2 1.0 !
assign (residue  5 and name HN)   (residue  2 and name HN)   5.0 3.2 0.0 !
assign (residue  5 and name HN)   (residue  7 and name HN)   5.0 3.2 0.0 !
assign (residue  5 and name HN)   (residue  8 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HA)   (residue  3 and name HD#)  5.0 3.2 3.0 !
assign (residue  6 and name HA)   (residue  3 and name HE#)  5.0 3.2 3.0 !
assign (residue  6 and name HA)   (residue  8 and name HB#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  8 and name HD#)  3.4 1.6 1.0 !
assign (residue  6 and name HA)   (residue  8 and name HG#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  8 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HA)   (residue  9 and name HB#)  3.4 1.6 1.0 !
assign (residue  6 and name HA)   (residue  9 and name HG#)  5.0 3.2 1.0 !
assign (residue  6 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  6 and name HB#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
assign (residue  6 and name HB#)  (residue  4 and name HD#)  5.0 3.2 2.0 !
assign (residue  6 and name HB#)  (residue  4 and name HN)   5.0 3.2 1.0 !
assign (residue  6 and name HB#)  (residue  8 and name HN)   5.0 3.2 1.0 !
assign (residue  6 and name HB#)  (residue  9 and name HG#)  5.0 3.2 2.0 !
assign (residue  6 and name HB#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue  6 and name HD#)  (residue  2 and name HD##) 5.0 3.2 6.0 !
assign (residue  6 and name HD#)  (residue  7 and name HN)   5.0 3.2 3.0 !
assign (residue  6 and name HD#)  (residue  8 and name HN)   5.0 3.2 3.0 !
assign (residue  6 and name HE#)  (residue  2 and name HD##) 5.0 3.2 6.0 !
assign (residue  6 and name HN)   (residue  8 and name HN)   5.0 3.2 0.0 !
assign (residue  7 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
assign (residue  7 and name HB#)  (residue 10 and name HN)   3.4 1.6 1.0 !
assign (residue  7 and name HE#)  (residue 11 and name HD##) 3.4 1.6 4.0 !
assign (residue  7 and name HN)   (residue 10 and name HN)   5.0 3.2 0.0 !
assign (residue  7 and name HG#)  (residue  9 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HA)   (residue  5 and name HG#)  5.0 3.2 1.0 !
assign (residue  8 and name HA)   (residue 10 and name HN)   5.0 3.2 0.0 !
assign (residue  8 and name HA)   (residue 11 and name HG)   3.4 1.6 0.0 !
assign (residue  8 and name HB#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HD#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  8 and name HD#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue  9 and name HG#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HG#)  (residue  6 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HE#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
assign (residue  8 and name HN)   (residue 11 and name HN)   5.0 3.2 2.0 !
assign (residue  9 and name HN)   (residue  7 and name HN)   5.0 3.2 0.0 !
assign (residue  9 and name HG#)  (residue 12 and name HN)   5.0 3.2 1.0 !
assign (residue 10 and name HA)   (residue 13 and name HB#)  5.0 3.2 1.0 !
assign (residue 10 and name HD##) (residue  6 and name HD#)  5.0 3.2 6.0 !
assign (residue 10 and name HD##) (residue  6 and name HE#)  5.0 3.2 6.0 !
assign (residue 10 and name HD##) (residue  6 and name HZ)   5.0 3.2 3.0 !
assign (residue 10 and name HD##) (residue 14 and name HN)   5.0 3.2 3.0 !
assign (residue 11 and name HA)   (residue 13 and name HB#)  5.0 3.2 1.0 ! 
assign (residue 11 and name HB#)  (residue  7 and name HN)   5.0 3.2 1.0 !
assign (residue 12 and name HD#)  (residue 14 and name HN)   5.0 3.2 1.0 !
assign (residue 11 and name HD##) (residue  7 and name HG#)  3.4 1.6 4.0 !
assign (residue 11 and name HD##) (residue 14 and name HN)   5.0 3.2 3.0 !
assign (residue 12 and name HG#)  (residue 14 and name HN)   5.0 3.2 1.0 !
assign (residue 12 and name HB#)  (residue 14 and name HN)   5.0 3.2 1.0 !
assign (residue 12 and name HN)   (residue 14 and name HB#)  5.0 3.2 1.0 !
assign (residue 12 and name HN)   (residue 14 and name HN)   5.0 3.2 0.0 !
assign (residue 12 and name HN)   (residue 10 and name HN)   5.0 3.2 0.0 ! 
assign (residue 13 and name HA)   (residue 16 and name HB#)  5.0 3.2 1.0 !
assign (residue 13 and name HA)   (residue 16 and name HD#)  5.0 3.2 1.0 ! 
assign (residue 13 and name HB#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue 13 and name HB#)  (residue 10 and name HB#)  5.0 3.2 2.0 !
assign (residue 14 and name HA)   (residue 17 and name HD##) 5.0 3.2 3.0 !
assign (residue 14 and name HD##) (residue 10 and name HG)   5.0 3.2 3.0 !
assign (residue 14 and name HD##) (residue 11 and name HG)   5.0 3.2 3.0 !
assign (residue 14 and name HN)   (residue 11 and name HN)   5.0 3.2 0.0 ! 
assign (residue 15 and name HA)   (residue 17 and name HD##) 5.0 3.2 3.0 !
assign (residue 16 and name HA)   (residue 18 and name HN)   5.0 3.2 0.0 !
assign (residue 17 and name HB#)  (residue 14 and name HB#)  5.0 3.2 2.0 !
assign (residue 18 and name HA#)  (residue 16 and name HE#)  5.0 3.2 2.0 !
assign (residue 18 and name HN)   (residue 16 and name HN)   5.0 3.2 0.0 !

!===================================================================
!================= Ambiguous NOEs from 1H-NOESY ====================
!===================================================================

assign (residue  2 and name HA)   (residue  3 and name HE#)  5.0 3.2 3.0 !
    OR (residue  1 and name HA)   (residue  3 and name HE#)
assign (residue  2 and name HA)   (residue  3 and name HD#)  5.0 3.2 3.0 !
    OR (residue  1 and name HA)   (residue  3 and name HD#)
assign (residue 14 and name HA)   (residue 13 and name HN)   3.4 1.6 0.0 !
    OR (residue 14 and name HA)   (residue 16 and name HN) 
    OR (residue 14 and name HA)   (residue 15 and name HN) 
    OR (residue 13 and name HA)   (residue 15 and name HN) 
assign (residue  2 and name HB#)  (residue  6 and name HD#)  3.4 1.6 4.0 !
    OR (residue  5 and name HB#)  (residue  6 and name HD#) 
    OR (residue  7 and name HD#)  (residue  6 and name HD#)
assign (residue  2 and name HB#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
    OR (residue  5 and name HB#)  (residue  6 and name HE#) 
    OR (residue  7 and name HD#)  (residue  6 and name HE#) 
assign (residue  2 and name HD##) (residue  3 and name HN)   3.4 1.6 3.0 !
    OR (residue 14 and name HD##) (residue 15 and name HN) 
    OR (residue 14 and name HD##) (residue 16 and name HN)
    OR (residue 14 and name HD##) (residue 13 and name HN) 
    OR (residue 11 and name HD##) (residue  9 and name HN)
    OR (residue 11 and name HD##) (residue 15 and name HN)
assign (residue  2 and name HD##) (residue  4 and name HD#)  2.8 1.0 4.0 !
    OR (residue 14 and name HD##) (residue 11 and name HB#) 
assign (residue  3 and name HA)   (residue  4 and name HB#)  3.4 1.6 1.0 !
    OR (residue  3 and name HA)   (residue  2 and name HB#)
assign (residue  3 and name HA)   (residue  5 and name HB#)  3.4 1.6 1.0 !
    OR (residue 13 and name HA)   (residue 14 and name HG)
assign (residue  3 and name HA)   (residue  5 and name HN)   3.4 1.6 0.0 !
    OR (residue 13 and name HA)   (residue 14 and name HN) 
assign (residue  4 and name HA)   (residue  2 and name HD##) 3.4 1.6 3.0 !
    OR (residue 12 and name HA)   (residue 14 and name HD##) 
    OR (residue 11 and name HA)   (residue 14 and name HD##)
assign (residue 12 and name HA)   (residue 15 and name HN)   2.8 1.0 0.0 !
    OR (residue 12 and name HA)   (residue 16 and name HN) 
    OR (residue 10 and name HA)   (residue 13 and name HN) 
    OR (residue 12 and name HA)   (residue 13 and name HN) 
    OR (residue 11 and name HA)   (residue 13 and name HN)
    OR (residue 11 and name HA)   (residue 15 and name HN) 
assign (residue  4 and name HA)   (residue  3 and name HD#)  3.4 1.6 3.0 !
    OR (residue  7 and name HA)   (residue  3 and name HD#) 
assign (residue 10 and name HA)   (residue 14 and name HN)   2.8 1.0 0.0 !
    OR (residue 12 and name HA)   (residue 14 and name HN)
    OR (residue 11 and name HA)   (residue 14 and name HN) 
assign (residue 11 and name HB#)  (residue 14 and name HA)   5.0 3.2 1.0 !
    OR (residue 13 and name HA)   (residue 14 and name HB#)
assign (residue  4 and name HA)   (residue  6 and name HB#)  5.0 3.2 1.0 !
    OR (residue  7 and name HA)   (residue  6 and name HB#)
assign (residue  4 and name HB#)  (residue  6 and name HN)   2.8 1.0 1.0 !
    OR (residue  7 and name HD#)  (residue  6 and name HN) 
    OR (residue  5 and name HB#)  (residue  6 and name HN) 
assign (residue  4 and name HD#)  (residue  3 and name HN)   3.4 1.6 1.0 !
    OR (residue 11 and name HB#)  (residue  9 and name HN)
    OR (residue 11 and name HB#)  (residue 13 and name HN) 
assign (residue  4 and name HD#)  (residue  5 and name HN)   3.4 1.6 1.0 !
    OR (residue 11 and name HB#)  (residue 14 and name HN) 
assign (residue  5 and name HA)   (residue 10 and name HD##) 3.4 1.6 3.0 !
    OR (residue  5 and name HA)   (residue 11 and name HD##)
    OR (residue  5 and name HA)   (residue 14 and name HD##)
    OR (residue  8 and name HA)   (residue 10 and name HD##)
    OR (residue  8 and name HA)   (residue 11 and name HD##)
    OR (residue  8 and name HA)   (residue 14 and name HD##)
assign (residue  5 and name HA)   (residue  6 and name HB#)  5.0 3.2 1.0 !
    OR (residue  8 and name HA)   (residue  6 and name HB#) 
assign (residue  5 and name HA)   (residue  9 and name HB#)  5.0 3.2 1.0 !
    OR (residue  5 and name HA)   (residue  7 and name HB#)
assign (residue  5 and name HA)   (residue  7 and name HN)   5.0 3.2 0.0 !
    OR (residue  8 and name HA)   (residue  7 and name HN) 
assign (residue  5 and name HA)   (residue  8 and name HG#)  2.8 1.0 1.0 !
    OR (residue  5 and name HA)   (residue  7 and name HG#) 
    OR (residue  5 and name HA)   (residue  8 and name HD#) 
assign (residue  1 and name HB#)  (residue  3 and name HN)   5.0 3.2 1.0 !
    OR (residue 10 and name HG)   (residue  9 and name HN)
    OR (residue 10 and name HG)   (residue 13 and name HN)
assign (residue  5 and name HN)   (residue  3 and name HN)   2.8 1.0 0.0 !
    OR (residue 14 and name HN)   (residue 15 and name HN) 
    OR (residue 14 and name HN)   (residue 16 and name HN)
    OR (residue 14 and name HN)   (residue 13 and name HN) 
assign (residue  6 and name HA)   (residue  3 and name HN)   5.0 3.2 0.0 !
    OR (residue  6 and name HA)   (residue  9 and name HN) 
assign (residue  6 and name HA)   (residue  5 and name HB#)  5.0 3.2 1.0 !
    OR (residue  6 and name HA)   (residue  7 and name HD#) 
assign (residue  6 and name HB#)  (residue  3 and name HN)   5.0 3.2 1.0 !
    OR (residue  6 and name HB#)  (residue  9 and name HN)
assign (residue  6 and name HB#)  (residue  5 and name HB#)  5.0 3.2 2.0 !
    OR (residue  6 and name HB#)  (residue  2 and name HB#)
assign (residue  6 and name HD#)  (residue  9 and name HN)   5.0 3.2 3.0 !
    OR (residue  6 and name HD#)  (residue  3 and name HN)
assign (residue  6 and name HZ)   (residue  9 and name HN)   5.0 3.2 0.0 !
    OR (residue  6 and name HZ)   (residue  3 and name HN)
assign (residue  6 and name HE#)  (residue  9 and name HN)   5.0 3.2 3.0 !
    OR (residue  6 and name HE#)  (residue  3 and name HN)
assign (residue  6 and name HN)   (residue  3 and name HN)   2.8 1.0 0.0 !
    OR (residue  6 and name HN)   (residue  9 and name HN) 
    OR (residue 12 and name HN)   (residue  9 and name HN) 
    OR (residue 12 and name HN)   (residue 13 and name HN) 
    OR (residue 12 and name HN)   (residue 15 and name HN) 
assign (residue  7 and name HB#)  (residue  6 and name HN)   5.0 3.2 1.0 !
    OR (residue  9 and name HB#)  (residue  6 and name HN)
assign (residue  7 and name HB#)  (residue  8 and name HN)   2.8 1.0 1.0 !
    OR (residue  9 and name HB#)  (residue 11 and name HN) 
    OR (residue  7 and name HB#)  (residue 11 and name HN) 
    OR (residue  9 and name HB#)  (residue  8 and name HN) 
assign (residue  7 and name HD#)  (residue  8 and name HN)   3.4 1.6 1.0 !
    OR (residue  9 and name HD#)  (residue  8 and name HN)
assign (residue  7 and name HD#)  (residue 10 and name HN)   5.0 3.2 1.0 !
    OR (residue  9 and name HD#)  (residue 10 and name HN) 
assign (residue  7 and name HE#)  (residue 10 and name HN)   5.0 3.2 1.0 !
    OR (residue  8 and name HE#)  (residue 10 and name HN)
    OR (residue  9 and name HE#)  (residue 10 and name HN)
assign (residue  8 and name HA)   (residue  7 and name HB#)  5.0 3.2 1.0 !
    OR (residue  8 and name HA)   (residue  9 and name HB#) 
assign (residue  8 and name HA)   (residue 11 and name HB#)  3.4 1.6 1.0 !
    OR (residue  5 and name HA)   (residue  4 and name HD#)
assign (residue  8 and name HB#)  (residue  5 and name HN)   5.0 3.2 1.0 !
    OR (residue 15 and name HB#)  (residue 14 and name HN) 
assign (residue  8 and name HB#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
    OR (residue  9 and name HB#)  (residue  6 and name HD#) 
    OR (residue  7 and name HB#)  (residue  6 and name HD#)
assign (residue  8 and name HG#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
    OR (residue  7 and name HG#)  (residue  6 and name HD#) 
assign (residue  9 and name HG#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
    OR (residue  8 and name HD#)  (residue  6 and name HD#) 
    OR (residue  7 and name HG#)  (residue  6 and name HD#) 
assign (residue  8 and name HN)   (residue 10 and name HN)   2.8 1.0 0.0 !
    OR (residue 11 and name HN)   (residue 10 and name HN)
assign (residue  9 and name HA)   (residue 12 and name HN)   3.4 1.6 0.0 !
    OR (residue 15 and name HA)   (residue 12 and name HN) 
assign (residue  9 and name HN)   (residue 10 and name HN)   2.8 1.0 0.0 !
    OR (residue 13 and name HN)   (residue 10 and name HN) 
assign (residue  9 and name HN)   (residue 11 and name HN)   3.4 1.6 0.0 !
    OR (residue 13 and name HN)   (residue 11 and name HN)
assign (residue 10 and name HA)   (residue 11 and name HN)   2.8 1.0 0.0 !
    OR (residue  7 and name HA)   (residue  8 and name HN)
    OR (residue  7 and name HA)   (residue 11 and name HN)
assign (residue 10 and name HD##) (residue  9 and name HN)   3.4 1.6 3.0 !
    OR (residue 14 and name HD##) (residue 16 and name HN)
    OR (residue 14 and name HD##) (residue 15 and name HN)
    OR (residue 11 and name HD##) (residue  9 and name HN)
assign (residue 10 and name HD##) (residue 11 and name HB#)  2.8 1.0 4.0 ! 
    OR (residue 14 and name HD##) (residue 11 and name HB#) 
assign (residue 10 and name HD##) (residue 11 and name HN)   3.4 1.6 3.0 !
    OR (residue 14 and name HD##) (residue 11 and name HN)
assign (residue 10 and name HG)   (residue  8 and name HN)   3.4 1.6 1.0 !
    OR (residue 10 and name HG)   (residue 11 and name HN) 
    OR (residue 12 and name HG#)  (residue 11 and name HN) 
assign (residue 11 and name HD##) (residue  7 and name HD#)  2.8 1.0 4.0 !
    OR (residue 11 and name HD##) (residue  9 and name HD#) 
assign (residue 11 and name HD##) (residue 10 and name HB#)  2.8 1.0 4.0 !
    OR (residue 14 and name HD##) (residue 10 and name HB#)
assign (residue 11 and name HD##) (residue 14 and name HB#)  2.8 1.0 4.0 !
    OR (residue 17 and name HD##) (residue 14 and name HB#) 
assign (residue 11 and name HD##) (residue 12 and name HN)   5.0 3.2 3.0 !
    OR (residue 14 and name HD##) (residue 12 and name HN) 
assign (residue 17 and name HD##) (residue 18 and name HN)   3.4 1.6 3.0 !
    OR (residue 14 and name HD##) (residue 18 and name HN)
assign (residue 11 and name HG)   (residue  9 and name HN)   5.0 3.2 0.0 !
    OR (residue 11 and name HG)   (residue 15 and name HN) 
    OR (residue 11 and name HG)   (residue 13 and name HN) 
assign (residue 12 and name HG#)  (residue 13 and name HN)   3.4 1.6 1.0 !
    OR (residue 12 and name HG#)  (residue 15 and name HN)
    OR (residue 12 and name HG#)  (residue 16 and name HN)
assign (residue 12 and name HG#)  (residue 11 and name HD##) 3.4 1.6 4.0 !
    OR (residue 12 and name HG#)  (residue 14 and name HD##)
    OR (residue 10 and name HG)   (residue 14 and name HD##)
assign (residue 12 and name HB#)  (residue 11 and name HD##) 3.4 1.6 4.0 !
    OR (residue 12 and name HB#)  (residue 14 and name HD##)
assign (residue 12 and name HD#)  (residue 11 and name HD##) 3.4 1.6 4.0 !
    OR (residue 12 and name HD#)  (residue 14 and name HD##)
assign (residue 14 and name HG)   (residue 16 and name HN)   3.4 1.6 0.0 !
    OR (residue 14 and name HG)   (residue 13 and name HN) 
    OR (residue 14 and name HG)   (residue 15 and name HN) 
assign (residue 12 and name HG#)  (residue 11 and name HB#)  3.4 1.6 2.0 !
    OR (residue 10 and name HG)   (residue 11 and name HB#)
    OR (residue  7 and name HG#)  (residue 11 and name HB#)
    OR (residue  7 and name HG#)  (residue  4 and name HD#) 
assign (residue 13 and name HA)   (residue 12 and name HB#)  5.0 3.2 1.0 !
    OR (residue 13 and name HA)   (residue 16 and name HG#)
    OR (residue 13 and name HA)   (residue 15 and name HD#) 
    OR (residue 14 and name HA)   (residue 16 and name HG#) 
    OR (residue 14 and name HA)   (residue 15 and name HD#) 
assign (residue 13 and name HA)   (residue 12 and name HD#)  3.4 1.6 1.0 !
    OR (residue 13 and name HA)   (residue 15 and name HG#) 
    OR (residue 13 and name HA)   (residue 11 and name HG#) 
    OR (residue 14 and name HA)   (residue 15 and name HG#) 
assign (residue 15 and name HD#)  (residue 17 and name HN)   3.4 1.6 1.0 !
    OR (residue 16 and name HG#)  (residue 17 and name HN) 
assign (residue 17 and name HN)   (residue 15 and name HN)   2.8 1.0 0.0 !
    OR (residue 17 and name HN)   (residue 16 and name HN) 
assign (residue 17 and name HN)   (residue 18 and name HN)   2.8 1.0 0.0 !
    OR (residue 17 and name HN)   (residue 14 and name HN) 
    OR (residue 18 and name HN)   (residue 14 and name HN) 

!===================================================================
!======================== Hydrogen-bonds ===========================
!===================================================================

assign (resid  2 and name O) (resid  6 and name HN) 2.2 0.5 0.2
assign (resid  2 and name O) (resid  6 and name N ) 3.3 0.8 0.2
assign (resid  3 and name O) (resid  7 and name HN) 2.2 0.5 0.2
assign (resid  3 and name O) (resid  7 and name N ) 3.3 0.8 0.2
assign (resid  4 and name O) (resid  8 and name HN) 2.2 0.5 0.2
assign (resid  4 and name O) (resid  8 and name N ) 3.3 0.8 0.2
assign (resid  5 and name O) (resid  9 and name HN) 2.2 0.5 0.2
assign (resid  5 and name O) (resid  9 and name N ) 3.3 0.8 0.2
assign (resid  6 and name O) (resid 10 and name HN) 2.2 0.5 0.2
assign (resid  6 and name O) (resid 10 and name N ) 3.3 0.8 0.2
assign (resid  7 and name O) (resid 11 and name HN) 2.2 0.5 0.2
assign (resid  7 and name O) (resid 11 and name N ) 3.3 0.8 0.2
assign (resid  8 and name O) (resid 12 and name HN) 2.2 0.5 0.2
assign (resid  8 and name O) (resid 12 and name N ) 3.3 0.8 0.2
assign (resid  9 and name O) (resid 13 and name HN) 2.2 0.5 0.2
assign (resid  9 and name O) (resid 13 and name N ) 3.3 0.8 0.2
assign (resid 10 and name O) (resid 14 and name HN) 2.2 0.5 0.2
assign (resid 10 and name O) (resid 14 and name N ) 3.3 0.8 0.2
assign (resid 11 and name O) (resid 15 and name HN) 2.2 0.5 0.2
assign (resid 11 and name O) (resid 15 and name N ) 3.3 0.8 0.2
assign (resid 12 and name O) (resid 16 and name HN) 2.2 0.5 0.2
assign (resid 12 and name O) (resid 16 and name N ) 3.3 0.8 0.2

!===================================================================
!======================== Dihedral angles ==========================
!===================================================================

assign (resid  2 and name N ) (resid  2 and name CA)
       (resid  2 and name C ) (resid  3 and name N )  1.0  -40  40 2
assign (resid  2 and name C ) (resid  3 and name N )
       (resid  3 and name CA) (resid  3 and name C )  1.0  -60  30 2
assign (resid  3 and name N ) (resid  3 and name CA)
       (resid  3 and name C ) (resid  4 and name N )  1.0  -40  40 2
assign (resid  3 and name C ) (resid  4 and name N )
       (resid  4 and name CA) (resid  4 and name C )  1.0  -60  30 2
assign (resid  4 and name N ) (resid  4 and name CA)
       (resid  4 and name C ) (resid  5 and name N )  1.0  -40  40 2
assign (resid  4 and name C ) (resid  5 and name N )
       (resid  5 and name CA) (resid  5 and name C )  1.0  -60  30 2
assign (resid  5 and name N ) (resid  5 and name CA)
       (resid  5 and name C ) (resid  6 and name N )  1.0  -40  40 2
assign (resid  5 and name C ) (resid  6 and name N )
       (resid  6 and name CA) (resid  6 and name C )  1.0  -60  30 2
assign (resid  6 and name N ) (resid  6 and name CA)
       (resid  6 and name C ) (resid  7 and name N )  1.0  -40  40 2
assign (resid  6 and name C ) (resid  7 and name N )
       (resid  7 and name CA) (resid  7 and name C )  1.0  -60  30 2
assign (resid  7 and name N ) (resid  7 and name CA)
       (resid  7 and name C ) (resid  8 and name N )  1.0  -40  40 2
assign (resid  7 and name C ) (resid  8 and name N )
       (resid  8 and name CA) (resid  8 and name C )  1.0  -60  30 2
assign (resid  8 and name N ) (resid  8 and name CA)
       (resid  8 and name C ) (resid  9 and name N )  1.0  -40  40 2
assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA) (resid  9 and name C )  1.0  -60  30 2
assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name C ) (resid 10 and name N )  1.0  -40  40 2
assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C )  1.0  -60  30 2
assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name C ) (resid 11 and name N )  1.0  -40  40 2
assign (resid 10 and name C ) (resid 11 and name N )
       (resid 11 and name CA) (resid 11 and name C )  1.0  -60  30 2
assign (resid 11 and name N ) (resid 11 and name CA)
       (resid 11 and name C ) (resid 12 and name N )  1.0  -40  40 2
assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C )  1.0  -60  30 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name C ) (resid 13 and name N )  1.0  -40  40 2
assign (resid 12 and name C ) (resid 13 and name N )
       (resid 13 and name CA) (resid 13 and name C )  1.0  -60  30 2
assign (resid 13 and name N ) (resid 13 and name CA)
       (resid 13 and name C ) (resid 14 and name N )  1.0  -40  40 2
assign (resid 13 and name C ) (resid 14 and name N )
       (resid 14 and name CA) (resid 14 and name C )  1.0  -60  30 2
assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name C ) (resid 15 and name N )  1.0  -40  40 2
assign (resid 14 and name C ) (resid 15 and name N )
       (resid 15 and name CA) (resid 15 and name C )  1.0  -60  30 2
assign (resid 15 and name N ) (resid 15 and name CA)
       (resid 15 and name C ) (resid 16 and name N )  1.0  -40  40 2
assign (resid 15 and name C ) (resid 16 and name N )
       (resid 16 and name CA) (resid 16 and name C )  1.0  -60  30 2
assign (resid 16 and name N ) (resid 16 and name CA)
       (resid 16 and name C ) (resid 17 and name N )  1.0  -40  40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           1HT      ALA   1  -6.568  15.573   1.886
    2    H2   ALA   1           2HT      ALA   1  -5.265  16.674   1.697
    3    H3   ALA   1           3HT      ALA   1  -5.539  15.919   3.214
    4    HA   ALA   1           HA       ALA   1  -4.861  14.501   0.731
    5    HB1  ALA   1           1HB      ALA   1  -3.000  15.890   1.320
    6    HB2  ALA   1           2HB      ALA   1  -2.624  14.228   1.774
    7    HB3  ALA   1           3HB      ALA   1  -3.104  15.393   3.009
    8    H    LEU   2           H        LEU   2  -4.299  12.293   1.094
    9    HA   LEU   2           HA       LEU   2  -4.355  10.922   3.488
   10    HB2  LEU   2           2HB      LEU   2  -6.730   9.836   3.027
   11    HB3  LEU   2           1HB      LEU   2  -6.528  11.234   4.065
   12    HG   LEU   2           HG       LEU   2  -6.911  12.116   1.358
   13   HD11  LEU   2          1HD1      LEU   2  -9.187  11.313   0.996
   14   HD12  LEU   2          2HD1      LEU   2  -9.045  10.266   2.406
   15   HD13  LEU   2          3HD1      LEU   2  -8.026   9.987   0.994
   16   HD21  LEU   2          1HD2      LEU   2  -7.791  12.719   4.021
   17   HD22  LEU   2          2HD2      LEU   2  -9.170  12.704   2.922
   18   HD23  LEU   2          3HD2      LEU   2  -7.787  13.744   2.587
   19    H    TYR   3           H        TYR   3  -5.116  10.923   0.095
   20    HA   TYR   3           HA       TYR   3  -5.170   8.219  -0.431
   21    HB2  TYR   3           2HB      TYR   3  -3.820  10.219  -2.245
   22    HB3  TYR   3           1HB      TYR   3  -4.656   8.738  -2.706
   23    HD1  TYR   3           1HD      TYR   3  -6.927   9.396  -0.574
   24    HD2  TYR   3           2HD      TYR   3  -5.211  11.468  -3.862
   25    HE1  TYR   3           1HE      TYR   3  -9.005  10.646  -0.851
   26    HE2  TYR   3           2HE      TYR   3  -7.292  12.740  -4.152
   27    HH   TYR   3           HH       TYR   3  -9.791  12.732  -1.816
   28    H    LYS   4           H        LYS   4  -2.485  10.228   0.392
   29    HA   LYS   4           HA       LYS   4  -0.386   8.611  -0.489
   30    HB2  LYS   4           2HB      LYS   4   0.965   9.703   1.252
   31    HB3  LYS   4           1HB      LYS   4  -0.028  10.871   0.392
   32    HG2  LYS   4           2HG      LYS   4  -1.355   9.809   2.745
   33    HG3  LYS   4           1HG      LYS   4   0.173  10.604   3.122
   34    HD2  LYS   4           2HD      LYS   4  -0.570  12.590   1.878
   35    HD3  LYS   4           1HD      LYS   4  -2.105  11.791   1.535
   36    HE2  LYS   4           2HE      LYS   4  -2.930  12.442   3.490
   37    HE3  LYS   4           1HE      LYS   4  -1.585  11.691   4.348
   38    HZ1  LYS   4           1HZ      LYS   4  -2.059  14.298   4.386
   39    HZ2  LYS   4           2HZ      LYS   4  -1.021  14.233   3.052
   40    HZ3  LYS   4           3HZ      LYS   4  -0.507  13.645   4.551
   41    H    LYS   5           H        LYS   5  -2.570   8.380   2.150
   42    HA   LYS   5           HA       LYS   5  -1.260   6.306   3.569
   43    HB2  LYS   5           2HB      LYS   5  -2.917   7.263   4.872
   44    HB3  LYS   5           1HB      LYS   5  -3.978   7.521   3.494
   45    HG2  LYS   5           2HG      LYS   5  -4.240   4.969   3.493
   46    HG3  LYS   5           1HG      LYS   5  -3.600   5.059   5.135
   47    HD2  LYS   5           2HD      LYS   5  -5.686   7.028   4.632
   48    HD3  LYS   5           1HD      LYS   5  -6.248   5.374   4.386
   49    HE2  LYS   5           2HE      LYS   5  -6.629   5.485   6.611
   50    HE3  LYS   5           1HE      LYS   5  -4.918   5.060   6.696
   51    HZ1  LYS   5           1HZ      LYS   5  -6.050   7.802   6.846
   52    HZ2  LYS   5           2HZ      LYS   5  -4.400   7.431   6.867
   53    HZ3  LYS   5           3HZ      LYS   5  -5.396   6.919   8.134
   54    H    PHE   6           H        PHE   6  -3.756   6.501   1.144
   55    HA   PHE   6           HA       PHE   6  -4.389   3.849   0.819
   56    HB2  PHE   6           2HB      PHE   6  -4.244   5.883  -1.400
   57    HB3  PHE   6           1HB      PHE   6  -5.176   4.392  -1.419
   58    HD1  PHE   6           2HD      PHE   6  -5.492   5.513   1.830
   59    HD2  PHE   6           1HD      PHE   6  -6.738   6.489  -2.124
   60    HE1  PHE   6           2HE      PHE   6  -7.415   6.734   2.742
   61    HE2  PHE   6           1HE      PHE   6  -8.666   7.714  -1.213
   62    HZ   PHE   6           HZ       PHE   6  -8.999   7.842   1.218
   63    H    LYS   7           H        LYS   7  -1.689   5.619  -0.512
   64    HA   LYS   7           HA       LYS   7  -0.818   3.540  -2.221
   65    HB2  LYS   7           2HB      LYS   7   1.076   4.802  -2.650
   66    HB3  LYS   7           1HB      LYS   7  -0.105   6.028  -2.222
   67    HG2  LYS   7           2HG      LYS   7   1.602   6.769  -0.946
   68    HG3  LYS   7           1HG      LYS   7   0.934   5.596   0.187
   69    HD2  LYS   7           2HD      LYS   7   2.752   4.280  -1.593
   70    HD3  LYS   7           1HD      LYS   7   3.540   5.681  -0.860
   71    HE2  LYS   7           2HE      LYS   7   2.117   4.461   1.213
   72    HE3  LYS   7           1HE      LYS   7   2.847   3.137   0.306
   73    HZ1  LYS   7           1HZ      LYS   7   4.075   4.925   2.100
   74    HZ2  LYS   7           2HZ      LYS   7   4.789   5.109   0.579
   75    HZ3  LYS   7           3HZ      LYS   7   4.751   3.588   1.316
   76    H    LYS   8           H        LYS   8  -0.400   4.231   1.171
   77    HA   LYS   8           HA       LYS   8   1.744   2.498   1.711
   78    HB2  LYS   8           2HB      LYS   8   1.403   3.243   3.793
   79    HB3  LYS   8           1HB      LYS   8  -0.029   4.074   3.218
   80    HG2  LYS   8           2HG      LYS   8  -0.579   1.282   3.771
   81    HG3  LYS   8           1HG      LYS   8   0.103   2.105   5.164
   82    HD2  LYS   8           2HD      LYS   8  -1.651   3.946   4.561
   83    HD3  LYS   8           1HD      LYS   8  -2.450   2.618   3.716
   84    HE2  LYS   8           2HE      LYS   8  -1.857   1.461   6.106
   85    HE3  LYS   8           1HE      LYS   8  -2.162   3.127   6.592
   86    HZ1  LYS   8           1HZ      LYS   8  -4.078   1.317   6.322
   87    HZ2  LYS   8           2HZ      LYS   8  -4.086   1.953   4.755
   88    HZ3  LYS   8           3HZ      LYS   8  -4.337   2.972   6.082
   89    H    LYS   9           H        LYS   9  -1.702   1.926   1.668
   90    HA   LYS   9           HA       LYS   9  -1.452  -0.899   2.087
   91    HB2  LYS   9           2HB      LYS   9  -3.495  -0.280   2.892
   92    HB3  LYS   9           1HB      LYS   9  -3.638   1.067   1.778
   93    HG2  LYS   9           2HG      LYS   9  -5.294  -0.180   0.919
   94    HG3  LYS   9           1HG      LYS   9  -3.985  -0.994   0.068
   95    HD2  LYS   9           2HD      LYS   9  -5.085  -1.868   2.734
   96    HD3  LYS   9           1HD      LYS   9  -5.590  -2.537   1.180
   97    HE2  LYS   9           2HE      LYS   9  -3.752  -3.796   1.002
   98    HE3  LYS   9           1HE      LYS   9  -2.697  -2.495   1.540
   99    HZ1  LYS   9           1HZ      LYS   9  -3.829  -4.673   3.044
  100    HZ2  LYS   9           2HZ      LYS   9  -4.002  -3.175   3.806
  101    HZ3  LYS   9           3HZ      LYS   9  -2.465  -3.728   3.372
  102    H    LEU  10           H        LEU  10  -1.564   1.276  -0.591
  103    HA   LEU  10           HA       LEU  10  -2.116  -0.778  -2.528
  104    HB2  LEU  10           2HB      LEU  10  -2.619   1.766  -2.683
  105    HB3  LEU  10           1HB      LEU  10  -0.941   1.895  -3.182
  106    HG   LEU  10           HG       LEU  10  -2.015  -0.174  -4.708
  107   HD11  LEU  10          1HD1      LEU  10  -4.002   1.930  -4.133
  108   HD12  LEU  10          2HD1      LEU  10  -4.233   0.257  -4.636
  109   HD13  LEU  10          3HD1      LEU  10  -3.812   1.485  -5.830
  110   HD21  LEU  10          1HD2      LEU  10  -1.797   2.587  -5.808
  111   HD22  LEU  10          2HD2      LEU  10  -1.225   1.057  -6.476
  112   HD23  LEU  10          3HD2      LEU  10  -0.352   1.820  -5.147
  113    H    LEU  11           H        LEU  11   0.609   0.405  -0.902
  114    HA   LEU  11           HA       LEU  11   2.534  -0.353  -2.883
  115    HB2  LEU  11           2HB      LEU  11   4.143   0.473  -1.488
  116    HB3  LEU  11           1HB      LEU  11   2.758   1.322  -0.837
  117    HG   LEU  11           HG       LEU  11   2.626  -0.696   0.815
  118   HD11  LEU  11          1HD1      LEU  11   5.187  -1.121  -0.560
  119   HD12  LEU  11          2HD1      LEU  11   4.163  -2.259   0.315
  120   HD13  LEU  11          3HD1      LEU  11   5.255  -1.195   1.202
  121   HD21  LEU  11          1HD2      LEU  11   3.078   1.122   2.033
  122   HD22  LEU  11          2HD2      LEU  11   4.188   1.769   0.825
  123   HD23  LEU  11          3HD2      LEU  11   4.751   0.567   1.986
  124    H    LYS  12           H        LYS  12   1.187  -1.729   0.029
  125    HA   LYS  12           HA       LYS  12   2.748  -4.059   0.161
  126    HB2  LYS  12           2HB      LYS  12   1.478  -3.953   2.047
  127    HB3  LYS  12           1HB      LYS  12   0.174  -3.110   1.236
  128    HG2  LYS  12           2HG      LYS  12   0.381  -5.913   0.461
  129    HG3  LYS  12           1HG      LYS  12   0.090  -5.677   2.182
  130    HD2  LYS  12           2HD      LYS  12  -1.987  -4.872   1.855
  131    HD3  LYS  12           1HD      LYS  12  -1.538  -4.000   0.389
  132    HE2  LYS  12           2HE      LYS  12  -1.600  -6.092  -0.870
  133    HE3  LYS  12           1HE      LYS  12  -2.016  -6.972   0.595
  134    HZ1  LYS  12           1HZ      LYS  12  -3.664  -4.870  -0.699
  135    HZ2  LYS  12           2HZ      LYS  12  -4.062  -5.682   0.731
  136    HZ3  LYS  12           3HZ      LYS  12  -3.972  -6.534  -0.726
  137    H    SER  13           H        SER  13  -0.464  -3.574  -1.239
  138    HA   SER  13           HA       SER  13  -0.616  -6.056  -2.581
  139    HB2  SER  13           2HB      SER  13  -2.076  -3.752  -3.731
  140    HB3  SER  13           1HB      SER  13  -2.670  -5.345  -3.266
  141    HG   SER  13           HG       SER  13  -3.277  -3.372  -1.955
  142    H    LEU  14           H        LEU  14   0.226  -2.778  -3.672
  143    HA   LEU  14           HA       LEU  14   0.545  -2.935  -6.311
  144    HB2  LEU  14           2HB      LEU  14   1.355  -0.963  -5.450
  145    HB3  LEU  14           1HB      LEU  14   2.286  -1.770  -4.203
  146    HG   LEU  14           HG       LEU  14   3.275  -2.308  -6.899
  147   HD11  LEU  14          1HD1      LEU  14   2.773   0.467  -6.036
  148   HD12  LEU  14          2HD1      LEU  14   2.958  -0.205  -7.656
  149   HD13  LEU  14          3HD1      LEU  14   4.382   0.132  -6.673
  150   HD21  LEU  14          1HD2      LEU  14   4.223  -2.258  -4.257
  151   HD22  LEU  14          2HD2      LEU  14   5.113  -1.003  -5.119
  152   HD23  LEU  14          3HD2      LEU  14   5.122  -2.660  -5.720
  153    H    LYS  15           H        LYS  15   3.085  -4.095  -4.099
  154    HA   LYS  15           HA       LYS  15   4.280  -5.554  -6.299
  155    HB2  LYS  15           2HB      LYS  15   5.839  -4.370  -4.956
  156    HB3  LYS  15           1HB      LYS  15   5.171  -5.027  -3.469
  157    HG2  LYS  15           2HG      LYS  15   6.598  -6.716  -3.534
  158    HG3  LYS  15           1HG      LYS  15   6.028  -7.182  -5.136
  159    HD2  LYS  15           2HD      LYS  15   7.574  -5.013  -5.715
  160    HD3  LYS  15           1HD      LYS  15   8.439  -5.708  -4.342
  161    HE2  LYS  15           2HE      LYS  15   7.654  -7.150  -6.873
  162    HE3  LYS  15           1HE      LYS  15   9.277  -6.609  -6.445
  163    HZ1  LYS  15           1HZ      LYS  15   8.410  -9.061  -5.979
  164    HZ2  LYS  15           2HZ      LYS  15   7.930  -8.338  -4.528
  165    HZ3  LYS  15           3HZ      LYS  15   9.555  -8.297  -4.994
  166    H    ARG  16           H        ARG  16   3.995  -6.658  -2.903
  167    HA   ARG  16           HA       ARG  16   3.265  -9.271  -3.970
  168    HB2  ARG  16           2HB      ARG  16   5.044  -8.535  -2.010
  169    HB3  ARG  16           1HB      ARG  16   3.681  -9.163  -1.095
  170    HG2  ARG  16           2HG      ARG  16   5.040 -10.624  -3.347
  171    HG3  ARG  16           1HG      ARG  16   5.374 -10.874  -1.631
  172    HD2  ARG  16           2HD      ARG  16   2.577 -11.078  -2.663
  173    HD3  ARG  16           1HD      ARG  16   3.686 -12.432  -2.859
  174    HE   ARG  16           HE       ARG  16   2.589 -11.405  -0.361
  175   HH11  ARG  16          1HH1      ARG  16   4.760 -13.634  -1.966
  176   HH12  ARG  16          2HH1      ARG  16   4.956 -14.636  -0.569
  177   HH21  ARG  16          1HH2      ARG  16   2.872 -12.719   1.475
  178   HH22  ARG  16          2HH2      ARG  16   3.888 -14.119   1.384
  179    H    LEU  17           H        LEU  17   2.401  -7.910  -0.881
  180    HA   LEU  17           HA       LEU  17  -0.115  -7.178  -0.906
  181    HB2  LEU  17           2HB      LEU  17  -1.644  -9.003  -0.759
  182    HB3  LEU  17           1HB      LEU  17  -0.740  -9.172  -2.246
  183    HG   LEU  17           HG       LEU  17   0.763 -10.777  -0.802
  184   HD11  LEU  17          1HD1      LEU  17   0.021 -10.849   1.324
  185   HD12  LEU  17          2HD1      LEU  17  -1.145 -11.998   0.668
  186   HD13  LEU  17          3HD1      LEU  17  -1.600 -10.309   0.888
  187   HD21  LEU  17          1HD2      LEU  17  -0.752 -12.656  -1.424
  188   HD22  LEU  17          2HD2      LEU  17  -0.429 -11.525  -2.737
  189   HD23  LEU  17          3HD2      LEU  17  -1.966 -11.460  -1.876
  190    H    GLY  18           H        GLY  18   2.325  -9.008   0.615
  191    HA2  GLY  18           2HA      GLY  18   1.390  -8.083   3.205
  192    HA3  GLY  18           1HA      GLY  18   1.496  -9.827   3.020
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  -6.032  15.627   3.001
    2    H2   ALA   1           2HT      ALA   1  -6.485  15.376   1.363
    3    H3   ALA   1           3HT      ALA   1  -5.307  16.559   1.758
    4    HA   ALA   1           HA       ALA   1  -4.526  14.388   0.821
    5    HB1  ALA   1           1HB      ALA   1  -3.062  14.705   3.316
    6    HB2  ALA   1           2HB      ALA   1  -3.408  16.242   2.524
    7    HB3  ALA   1           3HB      ALA   1  -2.540  14.978   1.654
    8    H    LEU   2           H        LEU   2  -4.654  12.244   0.981
    9    HA   LEU   2           HA       LEU   2  -4.685  10.837   3.436
   10    HB2  LEU   2           2HB      LEU   2  -7.001   9.774   2.923
   11    HB3  LEU   2           1HB      LEU   2  -6.910  11.289   3.803
   12    HG   LEU   2           HG       LEU   2  -7.187  11.464   0.852
   13   HD11  LEU   2          1HD1      LEU   2  -8.758   9.634   1.728
   14   HD12  LEU   2          2HD1      LEU   2  -9.458  10.941   0.772
   15   HD13  LEU   2          3HD1      LEU   2  -9.617  10.949   2.529
   16   HD21  LEU   2          1HD2      LEU   2  -7.675  13.085   3.227
   17   HD22  LEU   2          2HD2      LEU   2  -8.999  13.132   2.063
   18   HD23  LEU   2          3HD2      LEU   2  -7.368  13.576   1.561
   19    H    TYR   3           H        TYR   3  -5.326  10.813  -0.004
   20    HA   TYR   3           HA       TYR   3  -5.286   8.104  -0.494
   21    HB2  TYR   3           2HB      TYR   3  -4.037  10.234  -2.239
   22    HB3  TYR   3           1HB      TYR   3  -4.534   8.629  -2.764
   23    HD1  TYR   3           2HD      TYR   3  -7.013   9.233  -0.605
   24    HD2  TYR   3           1HD      TYR   3  -5.546  10.829  -4.261
   25    HE1  TYR   3           2HE      TYR   3  -9.252  10.084  -1.116
   26    HE2  TYR   3           1HE      TYR   3  -7.785  11.691  -4.788
   27    HH   TYR   3           HH       TYR   3 -10.577  10.806  -2.955
   28    H    LYS   4           H        LYS   4  -2.703  10.179   0.426
   29    HA   LYS   4           HA       LYS   4  -0.527   8.643  -0.385
   30    HB2  LYS   4           2HB      LYS   4   0.701  10.141   0.786
   31    HB3  LYS   4           1HB      LYS   4  -0.824  10.982   0.981
   32    HG2  LYS   4           2HG      LYS   4   0.055   8.928   2.977
   33    HG3  LYS   4           1HG      LYS   4   0.678  10.570   3.040
   34    HD2  LYS   4           2HD      LYS   4  -2.114   9.589   3.491
   35    HD3  LYS   4           1HD      LYS   4  -1.123  10.634   4.498
   36    HE2  LYS   4           2HE      LYS   4  -2.511  11.344   1.920
   37    HE3  LYS   4           1HE      LYS   4  -2.839  11.973   3.532
   38    HZ1  LYS   4           1HZ      LYS   4  -0.156  12.452   2.994
   39    HZ2  LYS   4           2HZ      LYS   4  -1.404  13.585   3.122
   40    HZ3  LYS   4           3HZ      LYS   4  -1.015  12.923   1.615
   41    H    LYS   5           H        LYS   5  -2.668   8.425   2.308
   42    HA   LYS   5           HA       LYS   5  -1.396   6.355   3.698
   43    HB2  LYS   5           2HB      LYS   5  -3.158   7.373   4.865
   44    HB3  LYS   5           1HB      LYS   5  -4.214   7.343   3.457
   45    HG2  LYS   5           2HG      LYS   5  -4.157   4.803   3.719
   46    HG3  LYS   5           1HG      LYS   5  -3.534   5.125   5.337
   47    HD2  LYS   5           2HD      LYS   5  -5.930   6.657   4.515
   48    HD3  LYS   5           1HD      LYS   5  -6.162   4.927   4.775
   49    HE2  LYS   5           2HE      LYS   5  -6.604   5.882   6.856
   50    HE3  LYS   5           1HE      LYS   5  -4.949   5.293   6.999
   51    HZ1  LYS   5           1HZ      LYS   5  -5.691   7.747   7.680
   52    HZ2  LYS   5           2HZ      LYS   5  -5.253   8.030   6.071
   53    HZ3  LYS   5           3HZ      LYS   5  -4.130   7.370   7.149
   54    H    PHE   6           H        PHE   6  -3.770   6.474   1.138
   55    HA   PHE   6           HA       PHE   6  -4.187   3.730   0.856
   56    HB2  PHE   6           2HB      PHE   6  -4.254   5.711  -1.428
   57    HB3  PHE   6           1HB      PHE   6  -5.115   4.183  -1.316
   58    HD1  PHE   6           1HD      PHE   6  -5.436   5.429   1.868
   59    HD2  PHE   6           2HD      PHE   6  -6.747   6.237  -2.103
   60    HE1  PHE   6           1HE      PHE   6  -7.394   6.614   2.759
   61    HE2  PHE   6           2HE      PHE   6  -8.708   7.420  -1.213
   62    HZ   PHE   6           HZ       PHE   6  -9.029   7.612   1.225
   63    H    LYS   7           H        LYS   7  -1.418   5.595   0.048
   64    HA   LYS   7           HA       LYS   7  -0.440   3.787  -1.945
   65    HB2  LYS   7           2HB      LYS   7   1.537   5.023  -1.984
   66    HB3  LYS   7           1HB      LYS   7   0.308   6.221  -1.613
   67    HG2  LYS   7           2HG      LYS   7   1.846   6.816  -0.061
   68    HG3  LYS   7           1HG      LYS   7   0.997   5.586   0.867
   69    HD2  LYS   7           2HD      LYS   7   2.915   4.186  -0.577
   70    HD3  LYS   7           1HD      LYS   7   3.737   5.642  -0.015
   71    HE2  LYS   7           2HE      LYS   7   2.055   4.459   2.037
   72    HE3  LYS   7           1HE      LYS   7   3.279   3.338   1.453
   73    HZ1  LYS   7           1HZ      LYS   7   3.733   5.099   3.368
   74    HZ2  LYS   7           2HZ      LYS   7   4.177   6.042   2.035
   75    HZ3  LYS   7           3HZ      LYS   7   4.944   4.561   2.316
   76    H    LYS   8           H        LYS   8  -0.187   4.169   1.523
   77    HA   LYS   8           HA       LYS   8   1.843   2.300   2.004
   78    HB2  LYS   8           2HB      LYS   8   1.171   2.277   4.257
   79    HB3  LYS   8           1HB      LYS   8   0.714   3.869   3.681
   80    HG2  LYS   8           2HG      LYS   8  -1.086   3.152   4.985
   81    HG3  LYS   8           1HG      LYS   8  -1.612   2.905   3.326
   82    HD2  LYS   8           2HD      LYS   8  -1.999   0.776   3.740
   83    HD3  LYS   8           1HD      LYS   8  -0.308   0.542   4.199
   84    HE2  LYS   8           2HE      LYS   8  -1.556  -0.142   6.073
   85    HE3  LYS   8           1HE      LYS   8  -0.957   1.467   6.477
   86    HZ1  LYS   8           1HZ      LYS   8  -3.584   1.260   5.206
   87    HZ2  LYS   8           2HZ      LYS   8  -3.027   2.368   6.356
   88    HZ3  LYS   8           3HZ      LYS   8  -3.458   0.803   6.831
   89    H    LYS   9           H        LYS   9  -1.586   1.920   1.610
   90    HA   LYS   9           HA       LYS   9  -1.469  -0.960   1.871
   91    HB2  LYS   9           2HB      LYS   9  -3.501   1.031   2.024
   92    HB3  LYS   9           1HB      LYS   9  -3.950  -0.079   0.740
   93    HG2  LYS   9           2HG      LYS   9  -3.154  -1.045   3.465
   94    HG3  LYS   9           1HG      LYS   9  -4.811  -0.576   3.078
   95    HD2  LYS   9           2HD      LYS   9  -3.181  -2.748   1.775
   96    HD3  LYS   9           1HD      LYS   9  -4.588  -2.957   2.814
   97    HE2  LYS   9           2HE      LYS   9  -5.741  -1.450   0.986
   98    HE3  LYS   9           1HE      LYS   9  -4.431  -2.061  -0.023
   99    HZ1  LYS   9           1HZ      LYS   9  -5.675  -4.149   1.467
  100    HZ2  LYS   9           2HZ      LYS   9  -5.433  -4.019  -0.203
  101    HZ3  LYS   9           3HZ      LYS   9  -6.800  -3.324   0.510
  102    H    LEU  10           H        LEU  10  -1.508   1.429  -0.630
  103    HA   LEU  10           HA       LEU  10  -1.957  -0.529  -2.714
  104    HB2  LEU  10           2HB      LEU  10  -2.727   1.886  -2.811
  105    HB3  LEU  10           1HB      LEU  10  -1.044   2.327  -3.023
  106    HG   LEU  10           HG       LEU  10  -1.435   0.423  -4.975
  107   HD11  LEU  10          1HD1      LEU  10  -3.745   0.270  -4.914
  108   HD12  LEU  10          2HD1      LEU  10  -3.492   1.514  -6.137
  109   HD13  LEU  10          3HD1      LEU  10  -3.950   1.970  -4.496
  110   HD21  LEU  10          1HD2      LEU  10  -1.820   3.379  -5.377
  111   HD22  LEU  10          2HD2      LEU  10  -1.106   2.212  -6.489
  112   HD23  LEU  10          3HD2      LEU  10  -0.251   2.663  -5.013
  113    H    LEU  11           H        LEU  11   0.488   0.115  -0.735
  114    HA   LEU  11           HA       LEU  11   2.651  -0.094  -2.638
  115    HB2  LEU  11           2HB      LEU  11   2.373   0.645   0.188
  116    HB3  LEU  11           1HB      LEU  11   3.797  -0.316  -0.160
  117    HG   LEU  11           HG       LEU  11   3.079   2.401  -1.204
  118   HD11  LEU  11          1HD1      LEU  11   4.778   3.157   0.068
  119   HD12  LEU  11          2HD1      LEU  11   5.778   1.737  -0.234
  120   HD13  LEU  11          3HD1      LEU  11   4.495   1.671   0.974
  121   HD21  LEU  11          1HD2      LEU  11   4.730   0.306  -2.468
  122   HD22  LEU  11          2HD2      LEU  11   5.458   1.910  -2.378
  123   HD23  LEU  11          3HD2      LEU  11   3.907   1.689  -3.188
  124    H    LYS  12           H        LYS  12   1.499  -1.845   0.216
  125    HA   LYS  12           HA       LYS  12   3.159  -4.097  -0.210
  126    HB2  LYS  12           2HB      LYS  12   2.197  -4.926   1.662
  127    HB3  LYS  12           1HB      LYS  12   1.460  -3.339   1.784
  128    HG2  LYS  12           2HG      LYS  12   0.062  -5.518   0.288
  129    HG3  LYS  12           1HG      LYS  12   0.011  -5.470   2.046
  130    HD2  LYS  12           2HD      LYS  12  -1.266  -3.594   2.098
  131    HD3  LYS  12           1HD      LYS  12  -0.583  -2.959   0.602
  132    HE2  LYS  12           2HE      LYS  12  -2.739  -3.506  -0.038
  133    HE3  LYS  12           1HE      LYS  12  -1.832  -4.941  -0.511
  134    HZ1  LYS  12           1HZ      LYS  12  -2.602  -6.096   1.386
  135    HZ2  LYS  12           2HZ      LYS  12  -3.960  -5.371   0.687
  136    HZ3  LYS  12           3HZ      LYS  12  -3.263  -4.699   2.074
  137    H    SER  13           H        SER  13  -0.124  -3.346  -1.163
  138    HA   SER  13           HA       SER  13  -0.697  -5.728  -2.564
  139    HB2  SER  13           2HB      SER  13  -2.048  -3.338  -1.921
  140    HB3  SER  13           1HB      SER  13  -2.058  -3.438  -3.681
  141    HG   SER  13           HG       SER  13  -3.129  -5.349  -3.570
  142    H    LEU  14           H        LEU  14   0.481  -2.541  -3.535
  143    HA   LEU  14           HA       LEU  14   0.563  -2.615  -6.220
  144    HB2  LEU  14           2HB      LEU  14   1.597  -0.731  -5.582
  145    HB3  LEU  14           1HB      LEU  14   2.228  -1.470  -4.125
  146    HG   LEU  14           HG       LEU  14   3.666  -2.372  -6.480
  147   HD11  LEU  14          1HD1      LEU  14   4.828   0.018  -6.503
  148   HD12  LEU  14          2HD1      LEU  14   3.177   0.527  -6.152
  149   HD13  LEU  14          3HD1      LEU  14   3.522  -0.409  -7.607
  150   HD21  LEU  14          1HD2      LEU  14   4.357  -1.037  -3.882
  151   HD22  LEU  14          2HD2      LEU  14   5.573  -1.447  -5.091
  152   HD23  LEU  14          3HD2      LEU  14   4.606  -2.718  -4.344
  153    H    LYS  15           H        LYS  15   3.146  -4.004  -4.196
  154    HA   LYS  15           HA       LYS  15   4.103  -5.459  -6.515
  155    HB2  LYS  15           2HB      LYS  15   5.667  -4.263  -4.984
  156    HB3  LYS  15           1HB      LYS  15   5.265  -5.427  -3.732
  157    HG2  LYS  15           2HG      LYS  15   6.057  -6.674  -6.238
  158    HG3  LYS  15           1HG      LYS  15   7.309  -5.643  -5.545
  159    HD2  LYS  15           2HD      LYS  15   7.742  -7.114  -3.926
  160    HD3  LYS  15           1HD      LYS  15   6.032  -7.281  -3.527
  161    HE2  LYS  15           2HE      LYS  15   5.819  -9.175  -4.708
  162    HE3  LYS  15           1HE      LYS  15   6.796  -8.563  -6.043
  163    HZ1  LYS  15           1HZ      LYS  15   7.803 -10.476  -4.901
  164    HZ2  LYS  15           2HZ      LYS  15   7.898  -9.569  -3.476
  165    HZ3  LYS  15           3HZ      LYS  15   8.782  -9.097  -4.838
  166    H    ARG  16           H        ARG  16   3.999  -6.661  -3.153
  167    HA   ARG  16           HA       ARG  16   3.021  -9.183  -4.236
  168    HB2  ARG  16           2HB      ARG  16   5.039  -8.724  -2.506
  169    HB3  ARG  16           1HB      ARG  16   3.737  -9.084  -1.384
  170    HG2  ARG  16           2HG      ARG  16   4.382 -10.863  -3.708
  171    HG3  ARG  16           1HG      ARG  16   5.165 -11.028  -2.135
  172    HD2  ARG  16           2HD      ARG  16   2.181 -10.939  -2.331
  173    HD3  ARG  16           1HD      ARG  16   3.047 -12.438  -2.675
  174    HE   ARG  16           HE       ARG  16   2.635 -11.220  -0.107
  175   HH11  ARG  16          1HH1      ARG  16   4.663 -13.361  -1.970
  176   HH12  ARG  16          2HH1      ARG  16   5.297 -14.181  -0.583
  177   HH21  ARG  16          1HH2      ARG  16   3.467 -12.294   1.727
  178   HH22  ARG  16          2HH2      ARG  16   4.615 -13.573   1.521
  179    H    LEU  17           H        LEU  17   2.503  -7.856  -1.055
  180    HA   LEU  17           HA       LEU  17   0.010  -7.008  -0.876
  181    HB2  LEU  17           2HB      LEU  17  -1.286  -8.595  -1.801
  182    HB3  LEU  17           1HB      LEU  17  -0.060  -9.833  -1.638
  183    HG   LEU  17           HG       LEU  17  -0.717 -10.077   0.775
  184   HD11  LEU  17          1HD1      LEU  17  -2.216  -8.756   1.753
  185   HD12  LEU  17          2HD1      LEU  17  -3.346  -8.913   0.408
  186   HD13  LEU  17          3HD1      LEU  17  -2.064  -7.704   0.346
  187   HD21  LEU  17          1HD2      LEU  17  -2.211 -11.680   0.236
  188   HD22  LEU  17          2HD2      LEU  17  -1.740 -11.265  -1.411
  189   HD23  LEU  17          3HD2      LEU  17  -3.210 -10.581  -0.718
  190    H    GLY  18           H        GLY  18   2.466  -9.062   0.377
  191    HA2  GLY  18           2HA      GLY  18   2.233  -7.931   2.988
  192    HA3  GLY  18           1HA      GLY  18   1.687  -9.600   2.961
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1  -6.659  14.567   1.302
    2    H2   ALA   1           2HT      ALA   1  -5.831  15.979   0.786
    3    H3   ALA   1           3HT      ALA   1  -6.427  15.868   2.392
    4    HA   ALA   1           HA       ALA   1  -4.141  14.555   1.148
    5    HB1  ALA   1           1HB      ALA   1  -3.262  16.263   2.319
    6    HB2  ALA   1           2HB      ALA   1  -3.477  15.180   3.695
    7    HB3  ALA   1           3HB      ALA   1  -4.681  16.423   3.354
    8    H    LEU   2           H        LEU   2  -4.634  12.390   1.087
    9    HA   LEU   2           HA       LEU   2  -4.457  10.958   3.519
   10    HB2  LEU   2           2HB      LEU   2  -6.858  11.772   3.512
   11    HB3  LEU   2           1HB      LEU   2  -7.116  10.691   2.156
   12    HG   LEU   2           HG       LEU   2  -6.055   8.934   3.849
   13   HD11  LEU   2          1HD1      LEU   2  -7.102   9.438   6.108
   14   HD12  LEU   2          2HD1      LEU   2  -7.202  11.112   5.565
   15   HD13  LEU   2          3HD1      LEU   2  -5.633  10.317   5.693
   16   HD21  LEU   2          1HD2      LEU   2  -8.312   8.961   2.693
   17   HD22  LEU   2          2HD2      LEU   2  -8.934   9.761   4.135
   18   HD23  LEU   2          3HD2      LEU   2  -8.246   8.143   4.253
   19    H    TYR   3           H        TYR   3  -5.145  10.959   0.108
   20    HA   TYR   3           HA       TYR   3  -5.151   8.243  -0.360
   21    HB2  TYR   3           2HB      TYR   3  -3.901  10.268  -2.222
   22    HB3  TYR   3           1HB      TYR   3  -4.610   8.714  -2.656
   23    HD1  TYR   3           2HD      TYR   3  -6.871   9.522  -0.376
   24    HD2  TYR   3           1HD      TYR   3  -5.466  11.088  -4.072
   25    HE1  TYR   3           2HE      TYR   3  -9.037  10.614  -0.723
   26    HE2  TYR   3           1HE      TYR   3  -7.639  12.185  -4.432
   27    HH   TYR   3           HH       TYR   3 -10.046  12.364  -1.950
   28    H    LYS   4           H        LYS   4  -2.535  10.216   0.630
   29    HA   LYS   4           HA       LYS   4  -0.416   8.647  -0.326
   30    HB2  LYS   4           2HB      LYS   4   0.949   9.962   0.969
   31    HB3  LYS   4           1HB      LYS   4  -0.482  10.979   0.958
   32    HG2  LYS   4           2HG      LYS   4   0.092   9.004   3.156
   33    HG3  LYS   4           1HG      LYS   4   0.665  10.668   3.181
   34    HD2  LYS   4           2HD      LYS   4  -2.211   9.775   3.045
   35    HD3  LYS   4           1HD      LYS   4  -1.400  10.472   4.443
   36    HE2  LYS   4           2HE      LYS   4  -2.251  11.781   1.891
   37    HE3  LYS   4           1HE      LYS   4  -2.550  12.278   3.557
   38    HZ1  LYS   4           1HZ      LYS   4  -0.169  12.681   1.896
   39    HZ2  LYS   4           2HZ      LYS   4   0.047  12.499   3.564
   40    HZ3  LYS   4           3HZ      LYS   4  -0.928  13.748   2.968
   41    H    LYS   5           H        LYS   5  -2.633   8.334   2.261
   42    HA   LYS   5           HA       LYS   5  -1.349   6.226   3.655
   43    HB2  LYS   5           2HB      LYS   5  -2.953   7.172   4.994
   44    HB3  LYS   5           1HB      LYS   5  -3.986   7.569   3.625
   45    HG2  LYS   5           2HG      LYS   5  -4.398   5.020   3.525
   46    HG3  LYS   5           1HG      LYS   5  -3.821   5.043   5.192
   47    HD2  LYS   5           2HD      LYS   5  -5.803   7.107   4.495
   48    HD3  LYS   5           1HD      LYS   5  -6.403   5.449   4.477
   49    HE2  LYS   5           2HE      LYS   5  -6.798   6.122   6.661
   50    HE3  LYS   5           1HE      LYS   5  -5.262   5.266   6.789
   51    HZ1  LYS   5           1HZ      LYS   5  -4.459   7.095   7.722
   52    HZ2  LYS   5           2HZ      LYS   5  -5.853   7.982   7.368
   53    HZ3  LYS   5           3HZ      LYS   5  -4.607   7.882   6.230
   54    H    PHE   6           H        PHE   6  -3.679   6.542   1.093
   55    HA   PHE   6           HA       PHE   6  -4.397   3.862   0.797
   56    HB2  PHE   6           2HB      PHE   6  -4.188   5.911  -1.412
   57    HB3  PHE   6           1HB      PHE   6  -5.127   4.426  -1.459
   58    HD1  PHE   6           2HD      PHE   6  -5.558   5.485   1.773
   59    HD2  PHE   6           1HD      PHE   6  -6.633   6.595  -2.195
   60    HE1  PHE   6           2HE      PHE   6  -7.496   6.708   2.645
   61    HE2  PHE   6           1HE      PHE   6  -8.579   7.817  -1.325
   62    HZ   PHE   6           HZ       PHE   6  -9.008   7.876   1.097
   63    H    LYS   7           H        LYS   7  -1.721   5.678  -0.523
   64    HA   LYS   7           HA       LYS   7  -0.760   3.656  -2.219
   65    HB2  LYS   7           2HB      LYS   7   1.147   4.933  -2.509
   66    HB3  LYS   7           1HB      LYS   7  -0.037   6.146  -2.054
   67    HG2  LYS   7           2HG      LYS   7   1.595   6.806  -0.657
   68    HG3  LYS   7           1HG      LYS   7   0.944   5.524   0.364
   69    HD2  LYS   7           2HD      LYS   7   2.832   4.452  -1.518
   70    HD3  LYS   7           1HD      LYS   7   3.557   5.767  -0.591
   71    HE2  LYS   7           2HE      LYS   7   2.125   4.292   1.277
   72    HE3  LYS   7           1HE      LYS   7   2.866   3.082   0.231
   73    HZ1  LYS   7           1HZ      LYS   7   4.099   4.273   2.301
   74    HZ2  LYS   7           2HZ      LYS   7   4.634   5.230   1.014
   75    HZ3  LYS   7           3HZ      LYS   7   4.906   3.562   0.994
   76    H    LYS   8           H        LYS   8  -0.465   4.255   1.201
   77    HA   LYS   8           HA       LYS   8   1.604   2.503   1.843
   78    HB2  LYS   8           2HB      LYS   8   1.093   3.305   3.869
   79    HB3  LYS   8           1HB      LYS   8  -0.406   3.952   3.243
   80    HG2  LYS   8           2HG      LYS   8  -0.849   1.201   3.684
   81    HG3  LYS   8           1HG      LYS   8   0.008   1.815   5.088
   82    HD2  LYS   8           2HD      LYS   8  -1.786   3.778   4.773
   83    HD3  LYS   8           1HD      LYS   8  -2.699   2.442   4.077
   84    HE2  LYS   8           2HE      LYS   8  -1.811   1.250   6.308
   85    HE3  LYS   8           1HE      LYS   8  -1.852   2.920   6.873
   86    HZ1  LYS   8           1HZ      LYS   8  -4.054   1.165   6.108
   87    HZ2  LYS   8           2HZ      LYS   8  -4.212   2.802   5.718
   88    HZ3  LYS   8           3HZ      LYS   8  -3.978   2.334   7.328
   89    H    LYS   9           H        LYS   9  -1.845   1.870   1.677
   90    HA   LYS   9           HA       LYS   9  -1.505  -0.969   1.906
   91    HB2  LYS   9           2HB      LYS   9  -3.662  -0.835   2.492
   92    HB3  LYS   9           1HB      LYS   9  -3.672   0.868   2.085
   93    HG2  LYS   9           2HG      LYS   9  -5.164   0.437   0.510
   94    HG3  LYS   9           1HG      LYS   9  -3.964  -0.513  -0.357
   95    HD2  LYS   9           2HD      LYS   9  -5.872  -1.523   1.752
   96    HD3  LYS   9           1HD      LYS   9  -5.981  -1.816   0.017
   97    HE2  LYS   9           2HE      LYS   9  -4.969  -3.753   0.646
   98    HE3  LYS   9           1HE      LYS   9  -3.538  -2.757   0.398
   99    HZ1  LYS   9           1HZ      LYS   9  -4.023  -4.134   2.626
  100    HZ2  LYS   9           2HZ      LYS   9  -4.695  -2.644   3.055
  101    HZ3  LYS   9           3HZ      LYS   9  -3.071  -2.736   2.584
  102    H    LEU  10           H        LEU  10  -1.518   1.343  -0.635
  103    HA   LEU  10           HA       LEU  10  -1.994  -0.642  -2.678
  104    HB2  LEU  10           2HB      LEU  10  -2.670   1.840  -2.768
  105    HB3  LEU  10           1HB      LEU  10  -0.985   2.138  -3.163
  106    HG   LEU  10           HG       LEU  10  -1.676   0.117  -4.892
  107   HD11  LEU  10          1HD1      LEU  10  -4.045   1.801  -4.278
  108   HD12  LEU  10          2HD1      LEU  10  -3.949   0.108  -4.763
  109   HD13  LEU  10          3HD1      LEU  10  -3.745   1.382  -5.964
  110   HD21  LEU  10          1HD2      LEU  10  -1.996   2.942  -5.770
  111   HD22  LEU  10          2HD2      LEU  10  -1.093   1.619  -6.509
  112   HD23  LEU  10          3HD2      LEU  10  -0.447   2.439  -5.091
  113    H    LEU  11           H        LEU  11   0.586   0.194  -0.808
  114    HA   LEU  11           HA       LEU  11   2.568  -0.289  -2.873
  115    HB2  LEU  11           2HB      LEU  11   4.149   0.604  -1.498
  116    HB3  LEU  11           1HB      LEU  11   2.739   1.400  -0.834
  117    HG   LEU  11           HG       LEU  11   2.699  -0.596   0.840
  118   HD11  LEU  11          1HD1      LEU  11   4.869  -1.382  -0.701
  119   HD12  LEU  11          2HD1      LEU  11   4.403  -2.030   0.865
  120   HD13  LEU  11          3HD1      LEU  11   5.589  -0.735   0.770
  121   HD21  LEU  11          1HD2      LEU  11   3.108   1.315   1.952
  122   HD22  LEU  11          2HD2      LEU  11   4.299   1.865   0.780
  123   HD23  LEU  11          3HD2      LEU  11   4.756   0.696   2.015
  124    H    LYS  12           H        LYS  12   1.307  -1.725   0.058
  125    HA   LYS  12           HA       LYS  12   3.000  -3.986   0.060
  126    HB2  LYS  12           2HB      LYS  12   1.985  -4.236   2.042
  127    HB3  LYS  12           1HB      LYS  12   0.845  -2.975   1.623
  128    HG2  LYS  12           2HG      LYS  12   0.254  -5.681   0.580
  129    HG3  LYS  12           1HG      LYS  12   0.129  -5.447   2.319
  130    HD2  LYS  12           2HD      LYS  12  -1.744  -4.238   2.137
  131    HD3  LYS  12           1HD      LYS  12  -1.098  -3.289   0.799
  132    HE2  LYS  12           2HE      LYS  12  -2.663  -4.342  -0.412
  133    HE3  LYS  12           1HE      LYS  12  -1.515  -5.676  -0.422
  134    HZ1  LYS  12           1HZ      LYS  12  -4.042  -5.398   1.014
  135    HZ2  LYS  12           2HZ      LYS  12  -2.800  -6.214   1.819
  136    HZ3  LYS  12           3HZ      LYS  12  -3.340  -6.768   0.316
  137    H    SER  13           H        SER  13  -0.314  -3.525  -1.072
  138    HA   SER  13           HA       SER  13  -0.593  -6.030  -2.353
  139    HB2  SER  13           2HB      SER  13  -2.168  -3.654  -2.041
  140    HB3  SER  13           1HB      SER  13  -2.131  -4.081  -3.750
  141    HG   SER  13           HG       SER  13  -3.769  -5.261  -2.972
  142    H    LEU  14           H        LEU  14   0.252  -2.796  -3.536
  143    HA   LEU  14           HA       LEU  14   0.476  -3.001  -6.167
  144    HB2  LEU  14           2HB      LEU  14   1.368  -1.042  -5.485
  145    HB3  LEU  14           1HB      LEU  14   2.152  -1.766  -4.096
  146    HG   LEU  14           HG       LEU  14   3.431  -2.531  -6.594
  147   HD11  LEU  14          1HD1      LEU  14   2.813   0.316  -6.119
  148   HD12  LEU  14          2HD1      LEU  14   3.138  -0.541  -7.625
  149   HD13  LEU  14          3HD1      LEU  14   4.472  -0.071  -6.574
  150   HD21  LEU  14          1HD2      LEU  14   4.245  -1.335  -3.971
  151   HD22  LEU  14          2HD2      LEU  14   5.390  -1.512  -5.301
  152   HD23  LEU  14          3HD2      LEU  14   4.604  -2.932  -4.618
  153    H    LYS  15           H        LYS  15   3.104  -4.156  -4.055
  154    HA   LYS  15           HA       LYS  15   4.152  -5.692  -6.279
  155    HB2  LYS  15           2HB      LYS  15   5.731  -4.418  -4.939
  156    HB3  LYS  15           1HB      LYS  15   5.241  -5.295  -3.495
  157    HG2  LYS  15           2HG      LYS  15   6.878  -6.735  -3.922
  158    HG3  LYS  15           1HG      LYS  15   5.944  -7.277  -5.320
  159    HD2  LYS  15           2HD      LYS  15   7.117  -5.047  -6.318
  160    HD3  LYS  15           1HD      LYS  15   8.357  -5.600  -5.190
  161    HE2  LYS  15           2HE      LYS  15   7.152  -7.094  -7.508
  162    HE3  LYS  15           1HE      LYS  15   8.831  -6.600  -7.293
  163    HZ1  LYS  15           1HZ      LYS  15   8.300  -9.010  -6.853
  164    HZ2  LYS  15           2HZ      LYS  15   7.496  -8.499  -5.456
  165    HZ3  LYS  15           3HZ      LYS  15   9.150  -8.204  -5.631
  166    H    ARG  16           H        ARG  16   4.097  -6.670  -2.862
  167    HA   ARG  16           HA       ARG  16   3.339  -9.329  -3.767
  168    HB2  ARG  16           2HB      ARG  16   5.251  -8.481  -1.998
  169    HB3  ARG  16           1HB      ARG  16   3.970  -9.026  -0.925
  170    HG2  ARG  16           2HG      ARG  16   5.287 -10.639  -3.097
  171    HG3  ARG  16           1HG      ARG  16   5.537 -10.811  -1.355
  172    HD2  ARG  16           2HD      ARG  16   2.765 -10.994  -2.413
  173    HD3  ARG  16           1HD      ARG  16   3.853 -12.357  -2.679
  174    HE   ARG  16           HE       ARG  16   2.767 -11.447  -0.142
  175   HH11  ARG  16          1HH1      ARG  16   5.034 -13.530  -1.817
  176   HH12  ARG  16          2HH1      ARG  16   5.332 -14.529  -0.434
  177   HH21  ARG  16          1HH2      ARG  16   3.190 -12.760   1.689
  178   HH22  ARG  16          2HH2      ARG  16   4.290 -14.090   1.552
  179    H    LEU  17           H        LEU  17   2.666  -7.824  -0.704
  180    HA   LEU  17           HA       LEU  17   0.134  -7.140  -0.575
  181    HB2  LEU  17           2HB      LEU  17  -1.128  -8.829  -1.334
  182    HB3  LEU  17           1HB      LEU  17   0.191  -9.974  -1.233
  183    HG   LEU  17           HG       LEU  17  -0.303 -10.196   1.232
  184   HD11  LEU  17          1HD1      LEU  17  -1.776  -8.873   2.225
  185   HD12  LEU  17          2HD1      LEU  17  -3.038  -9.399   1.111
  186   HD13  LEU  17          3HD1      LEU  17  -2.017  -8.022   0.700
  187   HD21  LEU  17          1HD2      LEU  17  -1.147 -11.672  -0.716
  188   HD22  LEU  17          2HD2      LEU  17  -2.714 -10.941  -0.368
  189   HD23  LEU  17          3HD2      LEU  17  -1.872 -11.858   0.881
  190    H    GLY  18           H        GLY  18   2.736  -8.898   0.754
  191    HA2  GLY  18           2HA      GLY  18   2.340  -7.723   3.347
  192    HA3  GLY  18           1HA      GLY  18   2.100  -9.465   3.338
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1  -6.576  15.799   1.637
    2    H2   ALA   1           2HT      ALA   1  -6.805  14.428   0.631
    3    H3   ALA   1           3HT      ALA   1  -5.944  15.792   0.044
    4    HA   ALA   1           HA       ALA   1  -4.300  14.342   0.535
    5    HB1  ALA   1           1HB      ALA   1  -4.487  16.660   1.926
    6    HB2  ALA   1           2HB      ALA   1  -3.075  15.604   1.933
    7    HB3  ALA   1           3HB      ALA   1  -4.263  15.499   3.234
    8    H    LEU   2           H        LEU   2  -4.744  12.211   0.697
    9    HA   LEU   2           HA       LEU   2  -4.613  10.960   3.212
   10    HB2  LEU   2           2HB      LEU   2  -6.976  11.742   3.289
   11    HB3  LEU   2           1HB      LEU   2  -7.304  10.760   1.873
   12    HG   LEU   2           HG       LEU   2  -6.333   8.835   3.424
   13   HD11  LEU   2          1HD1      LEU   2  -7.123   9.189   5.752
   14   HD12  LEU   2          2HD1      LEU   2  -7.401  10.886   5.360
   15   HD13  LEU   2          3HD1      LEU   2  -5.768  10.225   5.305
   16   HD21  LEU   2          1HD2      LEU   2  -9.100   9.644   4.125
   17   HD22  LEU   2          2HD2      LEU   2  -8.478   8.088   3.574
   18   HD23  LEU   2          3HD2      LEU   2  -8.733   9.395   2.418
   19    H    TYR   3           H        TYR   3  -5.435  10.767  -0.162
   20    HA   TYR   3           HA       TYR   3  -5.388   8.061  -0.608
   21    HB2  TYR   3           2HB      TYR   3  -4.114  10.105  -2.435
   22    HB3  TYR   3           1HB      TYR   3  -4.796   8.547  -2.899
   23    HD1  TYR   3           2HD      TYR   3  -7.142   9.130  -0.757
   24    HD2  TYR   3           1HD      TYR   3  -5.608  11.099  -4.198
   25    HE1  TYR   3           2HE      TYR   3  -9.317  10.176  -1.106
   26    HE2  TYR   3           1HE      TYR   3  -7.790  12.167  -4.560
   27    HH   TYR   3           HH       TYR   3 -10.617  11.207  -2.864
   28    H    LYS   4           H        LYS   4  -2.767  10.166   0.146
   29    HA   LYS   4           HA       LYS   4  -0.616   8.592  -0.674
   30    HB2  LYS   4           2HB      LYS   4   0.718   9.845   0.904
   31    HB3  LYS   4           1HB      LYS   4  -0.448  10.934   0.162
   32    HG2  LYS   4           2HG      LYS   4  -1.218   9.653   2.722
   33    HG3  LYS   4           1HG      LYS   4   0.012  10.913   2.769
   34    HD2  LYS   4           2HD      LYS   4  -1.582  12.348   1.435
   35    HD3  LYS   4           1HD      LYS   4  -2.809  11.120   1.741
   36    HE2  LYS   4           2HE      LYS   4  -3.260  12.343   3.565
   37    HE3  LYS   4           1HE      LYS   4  -1.852  11.528   4.243
   38    HZ1  LYS   4           1HZ      LYS   4  -1.640  14.091   2.775
   39    HZ2  LYS   4           2HZ      LYS   4  -0.497  13.373   3.792
   40    HZ3  LYS   4           3HZ      LYS   4  -1.915  14.027   4.444
   41    H    LYS   5           H        LYS   5  -2.693   8.475   2.068
   42    HA   LYS   5           HA       LYS   5  -1.348   6.486   3.531
   43    HB2  LYS   5           2HB      LYS   5  -3.084   7.556   4.703
   44    HB3  LYS   5           1HB      LYS   5  -4.185   7.441   3.333
   45    HG2  LYS   5           2HG      LYS   5  -4.082   4.921   3.717
   46    HG3  LYS   5           1HG      LYS   5  -3.417   5.334   5.298
   47    HD2  LYS   5           2HD      LYS   5  -5.888   6.719   4.391
   48    HD3  LYS   5           1HD      LYS   5  -6.022   5.043   4.929
   49    HE2  LYS   5           2HE      LYS   5  -6.427   6.630   6.759
   50    HE3  LYS   5           1HE      LYS   5  -5.012   5.622   7.059
   51    HZ1  LYS   5           1HZ      LYS   5  -4.889   8.163   7.463
   52    HZ2  LYS   5           2HZ      LYS   5  -4.676   8.254   5.787
   53    HZ3  LYS   5           3HZ      LYS   5  -3.582   7.375   6.730
   54    H    PHE   6           H        PHE   6  -3.856   6.473   1.100
   55    HA   PHE   6           HA       PHE   6  -4.294   3.743   0.920
   56    HB2  PHE   6           2HB      PHE   6  -4.371   5.654  -1.417
   57    HB3  PHE   6           1HB      PHE   6  -5.222   4.123  -1.285
   58    HD1  PHE   6           2HD      PHE   6  -5.532   5.427   1.876
   59    HD2  PHE   6           1HD      PHE   6  -6.867   6.138  -2.104
   60    HE1  PHE   6           2HE      PHE   6  -7.489   6.625   2.748
   61    HE2  PHE   6           1HE      PHE   6  -8.828   7.337  -1.235
   62    HZ   PHE   6           HZ       PHE   6  -9.135   7.585   1.191
   63    H    LYS   7           H        LYS   7  -1.637   5.635  -0.218
   64    HA   LYS   7           HA       LYS   7  -0.707   3.685  -2.072
   65    HB2  LYS   7           2HB      LYS   7   1.081   5.052  -2.493
   66    HB3  LYS   7           1HB      LYS   7  -0.077   6.222  -1.890
   67    HG2  LYS   7           2HG      LYS   7   1.807   6.846  -0.759
   68    HG3  LYS   7           1HG      LYS   7   1.081   5.737   0.400
   69    HD2  LYS   7           2HD      LYS   7   2.715   4.241  -1.389
   70    HD3  LYS   7           1HD      LYS   7   3.647   5.608  -0.773
   71    HE2  LYS   7           2HE      LYS   7   2.143   4.461   1.366
   72    HE3  LYS   7           1HE      LYS   7   3.023   3.180   0.532
   73    HZ1  LYS   7           1HZ      LYS   7   4.081   4.716   2.442
   74    HZ2  LYS   7           2HZ      LYS   7   4.549   5.587   1.069
   75    HZ3  LYS   7           3HZ      LYS   7   4.996   3.964   1.232
   76    H    LYS   8           H        LYS   8  -0.375   4.241   1.349
   77    HA   LYS   8           HA       LYS   8   1.790   2.501   1.834
   78    HB2  LYS   8           2HB      LYS   8   1.205   2.562   4.104
   79    HB3  LYS   8           1HB      LYS   8   0.619   4.093   3.477
   80    HG2  LYS   8           2HG      LYS   8  -1.068   3.312   4.902
   81    HG3  LYS   8           1HG      LYS   8  -1.652   2.992   3.275
   82    HD2  LYS   8           2HD      LYS   8  -1.913   0.863   3.755
   83    HD3  LYS   8           1HD      LYS   8  -0.197   0.717   4.158
   84    HE2  LYS   8           2HE      LYS   8  -1.395   0.020   6.079
   85    HE3  LYS   8           1HE      LYS   8  -0.781   1.632   6.439
   86    HZ1  LYS   8           1HZ      LYS   8  -3.196   1.103   7.018
   87    HZ2  LYS   8           2HZ      LYS   8  -3.504   1.241   5.362
   88    HZ3  LYS   8           3HZ      LYS   8  -2.883   2.562   6.220
   89    H    LYS   9           H        LYS   9  -1.647   1.956   1.620
   90    HA   LYS   9           HA       LYS   9  -1.441  -0.890   1.993
   91    HB2  LYS   9           2HB      LYS   9  -3.543   1.079   1.852
   92    HB3  LYS   9           1HB      LYS   9  -3.915  -0.257   0.776
   93    HG2  LYS   9           2HG      LYS   9  -3.171  -0.628   3.664
   94    HG3  LYS   9           1HG      LYS   9  -4.833  -0.434   3.104
   95    HD2  LYS   9           2HD      LYS   9  -2.903  -2.650   2.481
   96    HD3  LYS   9           1HD      LYS   9  -4.456  -2.763   3.304
   97    HE2  LYS   9           2HE      LYS   9  -5.229  -1.711   0.937
   98    HE3  LYS   9           1HE      LYS   9  -3.830  -2.652   0.422
   99    HZ1  LYS   9           1HZ      LYS   9  -5.012  -4.504   0.584
  100    HZ2  LYS   9           2HZ      LYS   9  -6.386  -3.581   0.924
  101    HZ3  LYS   9           3HZ      LYS   9  -5.435  -4.173   2.189
  102    H    LEU  10           H        LEU  10  -1.484   1.340  -0.646
  103    HA   LEU  10           HA       LEU  10  -1.929  -0.671  -2.650
  104    HB2  LEU  10           2HB      LEU  10  -2.432   1.881  -2.743
  105    HB3  LEU  10           1HB      LEU  10  -0.738   2.029  -3.177
  106    HG   LEU  10           HG       LEU  10  -1.504   0.133  -4.925
  107   HD11  LEU  10          1HD1      LEU  10  -3.938   1.694  -4.190
  108   HD12  LEU  10          2HD1      LEU  10  -3.773  -0.017  -4.588
  109   HD13  LEU  10          3HD1      LEU  10  -3.701   1.196  -5.866
  110   HD21  LEU  10          1HD2      LEU  10  -2.091   2.927  -5.729
  111   HD22  LEU  10          2HD2      LEU  10  -1.090   1.705  -6.514
  112   HD23  LEU  10          3HD2      LEU  10  -0.477   2.576  -5.109
  113    H    LEU  11           H        LEU  11   0.719   0.528  -0.884
  114    HA   LEU  11           HA       LEU  11   2.732  -0.178  -2.790
  115    HB2  LEU  11           2HB      LEU  11   4.226   0.785  -1.396
  116    HB3  LEU  11           1HB      LEU  11   2.792   1.467  -0.667
  117    HG   LEU  11           HG       LEU  11   2.876  -0.610   0.895
  118   HD11  LEU  11          1HD1      LEU  11   5.545  -0.963   1.159
  119   HD12  LEU  11          2HD1      LEU  11   5.409  -0.799  -0.594
  120   HD13  LEU  11          3HD1      LEU  11   4.490  -2.048   0.249
  121   HD21  LEU  11          1HD2      LEU  11   3.232   1.273   2.091
  122   HD22  LEU  11          2HD2      LEU  11   4.434   1.897   0.961
  123   HD23  LEU  11          3HD2      LEU  11   4.885   0.661   2.134
  124    H    LYS  12           H        LYS  12   1.390  -1.641   0.108
  125    HA   LYS  12           HA       LYS  12   3.111  -3.867   0.156
  126    HB2  LYS  12           2HB      LYS  12   1.933  -4.322   2.009
  127    HB3  LYS  12           1HB      LYS  12   0.915  -2.946   1.641
  128    HG2  LYS  12           2HG      LYS  12   0.035  -5.277   0.183
  129    HG3  LYS  12           1HG      LYS  12   0.152  -5.607   1.898
  130    HD2  LYS  12           2HD      LYS  12  -1.123  -3.399   2.199
  131    HD3  LYS  12           1HD      LYS  12  -1.524  -3.581   0.490
  132    HE2  LYS  12           2HE      LYS  12  -1.977  -5.799   2.458
  133    HE3  LYS  12           1HE      LYS  12  -3.173  -4.530   2.206
  134    HZ1  LYS  12           1HZ      LYS  12  -3.202  -5.115  -0.158
  135    HZ2  LYS  12           2HZ      LYS  12  -3.671  -6.412   0.822
  136    HZ3  LYS  12           3HZ      LYS  12  -2.123  -6.381   0.141
  137    H    SER  13           H        SER  13  -0.164  -3.550  -1.133
  138    HA   SER  13           HA       SER  13  -0.205  -6.020  -2.513
  139    HB2  SER  13           2HB      SER  13  -1.797  -3.634  -3.402
  140    HB3  SER  13           1HB      SER  13  -2.269  -5.334  -3.373
  141    HG   SER  13           HG       SER  13  -2.669  -3.468  -1.507
  142    H    LEU  14           H        LEU  14   0.630  -2.704  -3.454
  143    HA   LEU  14           HA       LEU  14   0.819  -2.778  -6.136
  144    HB2  LEU  14           2HB      LEU  14   1.643  -0.812  -5.246
  145    HB3  LEU  14           1HB      LEU  14   2.642  -1.641  -4.068
  146    HG   LEU  14           HG       LEU  14   3.596  -2.210  -6.713
  147   HD11  LEU  14          1HD1      LEU  14   2.738   0.553  -6.230
  148   HD12  LEU  14          2HD1      LEU  14   3.074  -0.287  -7.745
  149   HD13  LEU  14          3HD1      LEU  14   4.400   0.378  -6.791
  150   HD21  LEU  14          1HD2      LEU  14   4.791  -2.288  -4.480
  151   HD22  LEU  14          2HD2      LEU  14   4.909  -0.532  -4.590
  152   HD23  LEU  14          3HD2      LEU  14   5.678  -1.545  -5.812
  153    H    LYS  15           H        LYS  15   3.515  -3.838  -4.076
  154    HA   LYS  15           HA       LYS  15   4.504  -5.431  -6.291
  155    HB2  LYS  15           2HB      LYS  15   5.964  -3.929  -4.834
  156    HB3  LYS  15           1HB      LYS  15   5.812  -5.167  -3.597
  157    HG2  LYS  15           2HG      LYS  15   6.712  -5.924  -6.336
  158    HG3  LYS  15           1HG      LYS  15   7.846  -5.171  -5.213
  159    HD2  LYS  15           2HD      LYS  15   8.197  -7.207  -4.370
  160    HD3  LYS  15           1HD      LYS  15   6.566  -7.122  -3.702
  161    HE2  LYS  15           2HE      LYS  15   5.699  -8.506  -5.280
  162    HE3  LYS  15           1HE      LYS  15   6.805  -7.947  -6.534
  163    HZ1  LYS  15           1HZ      LYS  15   7.003 -10.323  -5.388
  164    HZ2  LYS  15           2HZ      LYS  15   7.989  -9.440  -4.335
  165    HZ3  LYS  15           3HZ      LYS  15   8.344  -9.483  -5.987
  166    H    ARG  16           H        ARG  16   4.607  -6.297  -2.818
  167    HA   ARG  16           HA       ARG  16   3.780  -8.977  -3.615
  168    HB2  ARG  16           2HB      ARG  16   5.809  -9.012  -2.427
  169    HB3  ARG  16           1HB      ARG  16   5.190  -7.940  -1.180
  170    HG2  ARG  16           2HG      ARG  16   5.389 -10.250  -0.403
  171    HG3  ARG  16           1HG      ARG  16   3.717  -9.688  -0.372
  172    HD2  ARG  16           2HD      ARG  16   3.873 -10.765  -2.861
  173    HD3  ARG  16           1HD      ARG  16   4.972 -11.810  -1.962
  174    HE   ARG  16           HE       ARG  16   2.547 -11.462  -0.542
  175   HH11  ARG  16          1HH1      ARG  16   3.883 -13.112  -3.316
  176   HH12  ARG  16          2HH1      ARG  16   2.748 -14.419  -3.241
  177   HH21  ARG  16          1HH2      ARG  16   1.058 -13.187  -0.441
  178   HH22  ARG  16          2HH2      ARG  16   1.146 -14.462  -1.611
  179    H    LEU  17           H        LEU  17   3.376  -7.450  -0.529
  180    HA   LEU  17           HA       LEU  17   0.819  -6.760  -0.260
  181    HB2  LEU  17           2HB      LEU  17  -0.477  -8.517  -0.735
  182    HB3  LEU  17           1HB      LEU  17   0.906  -9.584  -0.841
  183    HG   LEU  17           HG       LEU  17   0.806  -9.822   1.667
  184   HD11  LEU  17          1HD1      LEU  17  -0.957  -7.706   1.510
  185   HD12  LEU  17          2HD1      LEU  17  -0.688  -8.736   2.914
  186   HD13  LEU  17          3HD1      LEU  17  -2.005  -9.094   1.798
  187   HD21  LEU  17          1HD2      LEU  17   0.003 -11.605   0.325
  188   HD22  LEU  17          2HD2      LEU  17  -1.482 -10.733  -0.064
  189   HD23  LEU  17          3HD2      LEU  17  -1.209 -11.324   1.576
  190    H    GLY  18           H        GLY  18   3.549  -8.409   1.009
  191    HA2  GLY  18           2HA      GLY  18   3.335  -7.032   3.508
  192    HA3  GLY  18           1HA      GLY  18   3.025  -8.753   3.675
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1  -6.211  14.234   0.236
    2    H2   ALA   1           2HT      ALA   1  -5.381  15.628  -0.321
    3    H3   ALA   1           3HT      ALA   1  -6.306  15.697   1.122
    4    HA   ALA   1           HA       ALA   1  -3.724  14.451   0.607
    5    HB1  ALA   1           1HB      ALA   1  -4.207  16.794   1.633
    6    HB2  ALA   1           2HB      ALA   1  -2.979  15.755   2.355
    7    HB3  ALA   1           3HB      ALA   1  -4.579  15.872   3.089
    8    H    LEU   2           H        LEU   2  -4.393  12.262   0.649
    9    HA   LEU   2           HA       LEU   2  -4.274  11.051   3.168
   10    HB2  LEU   2           2HB      LEU   2  -6.606  11.928   3.285
   11    HB3  LEU   2           1HB      LEU   2  -7.009  10.896   1.924
   12    HG   LEU   2           HG       LEU   2  -6.000   9.030   3.542
   13   HD11  LEU   2          1HD1      LEU   2  -7.201   9.812   5.822
   14   HD12  LEU   2          2HD1      LEU   2  -6.560  11.356   5.257
   15   HD13  LEU   2          3HD1      LEU   2  -5.472   9.990   5.510
   16   HD21  LEU   2          1HD2      LEU   2  -8.772   9.922   4.165
   17   HD22  LEU   2          2HD2      LEU   2  -8.157   8.305   3.823
   18   HD23  LEU   2          3HD2      LEU   2  -8.376   9.460   2.509
   19    H    TYR   3           H        TYR   3  -5.178  10.796  -0.188
   20    HA   TYR   3           HA       TYR   3  -5.255   8.080  -0.534
   21    HB2  TYR   3           2HB      TYR   3  -3.937  10.029  -2.433
   22    HB3  TYR   3           1HB      TYR   3  -4.578   8.443  -2.850
   23    HD1  TYR   3           2HD      TYR   3  -6.943   9.234  -0.690
   24    HD2  TYR   3           1HD      TYR   3  -5.445  10.753  -4.366
   25    HE1  TYR   3           2HE      TYR   3  -9.128  10.226  -1.156
   26    HE2  TYR   3           1HE      TYR   3  -7.633  11.762  -4.844
   27    HH   TYR   3           HH       TYR   3 -10.086  12.040  -2.500
   28    H    LYS   4           H        LYS   4  -2.513  10.089   0.100
   29    HA   LYS   4           HA       LYS   4  -0.452   8.399  -0.667
   30    HB2  LYS   4           2HB      LYS   4   0.949   9.757   0.567
   31    HB3  LYS   4           1HB      LYS   4  -0.445  10.813   0.401
   32    HG2  LYS   4           2HG      LYS   4   0.084   9.073   2.805
   33    HG3  LYS   4           1HG      LYS   4   0.538  10.773   2.679
   34    HD2  LYS   4           2HD      LYS   4  -2.245  10.308   1.983
   35    HD3  LYS   4           1HD      LYS   4  -1.867   9.783   3.622
   36    HE2  LYS   4           2HE      LYS   4  -2.646  12.186   3.298
   37    HE3  LYS   4           1HE      LYS   4  -1.200  11.926   4.273
   38    HZ1  LYS   4           1HZ      LYS   4   0.173  12.683   2.559
   39    HZ2  LYS   4           2HZ      LYS   4  -1.126  13.765   2.542
   40    HZ3  LYS   4           3HZ      LYS   4  -1.035  12.539   1.382
   41    H    LYS   5           H        LYS   5  -2.507   8.418   2.107
   42    HA   LYS   5           HA       LYS   5  -1.282   6.380   3.580
   43    HB2  LYS   5           2HB      LYS   5  -2.913   7.470   4.805
   44    HB3  LYS   5           1HB      LYS   5  -3.994   7.604   3.423
   45    HG2  LYS   5           2HG      LYS   5  -4.270   5.081   3.637
   46    HG3  LYS   5           1HG      LYS   5  -3.561   5.275   5.241
   47    HD2  LYS   5           2HD      LYS   5  -5.778   7.093   4.457
   48    HD3  LYS   5           1HD      LYS   5  -6.185   5.417   4.837
   49    HE2  LYS   5           2HE      LYS   5  -6.347   6.951   6.782
   50    HE3  LYS   5           1HE      LYS   5  -5.218   5.619   7.025
   51    HZ1  LYS   5           1HZ      LYS   5  -4.297   8.256   6.062
   52    HZ2  LYS   5           2HZ      LYS   5  -3.397   7.029   6.800
   53    HZ3  LYS   5           3HZ      LYS   5  -4.487   7.944   7.714
   54    H    PHE   6           H        PHE   6  -3.853   6.414   1.186
   55    HA   PHE   6           HA       PHE   6  -4.346   3.688   1.046
   56    HB2  PHE   6           2HB      PHE   6  -4.342   5.513  -1.363
   57    HB3  PHE   6           1HB      PHE   6  -5.254   4.025  -1.165
   58    HD1  PHE   6           2HD      PHE   6  -5.664   5.284   1.924
   59    HD2  PHE   6           1HD      PHE   6  -6.667   6.259  -2.096
   60    HE1  PHE   6           2HE      PHE   6  -7.592   6.595   2.721
   61    HE2  PHE   6           1HE      PHE   6  -8.594   7.567  -1.304
   62    HZ   PHE   6           HZ       PHE   6  -9.046   7.742   1.098
   63    H    LYS   7           H        LYS   7  -1.579   5.441   0.030
   64    HA   LYS   7           HA       LYS   7  -0.638   3.500  -1.837
   65    HB2  LYS   7           2HB      LYS   7   0.784   5.121  -2.350
   66    HB3  LYS   7           1HB      LYS   7   0.110   6.099  -1.062
   67    HG2  LYS   7           2HG      LYS   7   1.927   4.373   0.186
   68    HG3  LYS   7           1HG      LYS   7   2.716   4.906  -1.295
   69    HD2  LYS   7           2HD      LYS   7   3.215   6.828  -0.298
   70    HD3  LYS   7           1HD      LYS   7   1.491   7.179  -0.154
   71    HE2  LYS   7           2HE      LYS   7   1.498   6.777   2.047
   72    HE3  LYS   7           1HE      LYS   7   2.407   5.282   1.850
   73    HZ1  LYS   7           1HZ      LYS   7   3.344   7.948   2.497
   74    HZ2  LYS   7           2HZ      LYS   7   4.303   7.101   1.391
   75    HZ3  LYS   7           3HZ      LYS   7   3.989   6.440   2.916
   76    H    LYS   8           H        LYS   8  -0.280   4.130   1.595
   77    HA   LYS   8           HA       LYS   8   1.791   2.359   2.147
   78    HB2  LYS   8           2HB      LYS   8   1.081   2.374   4.409
   79    HB3  LYS   8           1HB      LYS   8   0.624   3.943   3.769
   80    HG2  LYS   8           2HG      LYS   8  -1.208   3.278   5.043
   81    HG3  LYS   8           1HG      LYS   8  -1.681   2.933   3.385
   82    HD2  LYS   8           2HD      LYS   8  -2.076   0.828   3.915
   83    HD3  LYS   8           1HD      LYS   8  -0.394   0.626   4.415
   84    HE2  LYS   8           2HE      LYS   8  -1.717   0.030   6.282
   85    HE3  LYS   8           1HE      LYS   8  -1.059   1.628   6.634
   86    HZ1  LYS   8           1HZ      LYS   8  -3.704   1.411   5.369
   87    HZ2  LYS   8           2HZ      LYS   8  -3.094   2.621   6.384
   88    HZ3  LYS   8           3HZ      LYS   8  -3.560   1.128   7.033
   89    H    LYS   9           H        LYS   9  -1.620   1.863   1.736
   90    HA   LYS   9           HA       LYS   9  -1.453  -0.995   2.128
   91    HB2  LYS   9           2HB      LYS   9  -3.501   0.967   2.194
   92    HB3  LYS   9           1HB      LYS   9  -3.935  -0.181   0.935
   93    HG2  LYS   9           2HG      LYS   9  -3.225  -0.948   3.757
   94    HG3  LYS   9           1HG      LYS   9  -4.873  -0.712   3.166
   95    HD2  LYS   9           2HD      LYS   9  -2.884  -2.711   2.105
   96    HD3  LYS   9           1HD      LYS   9  -4.246  -3.078   3.165
   97    HE2  LYS   9           2HE      LYS   9  -5.672  -1.965   1.310
   98    HE3  LYS   9           1HE      LYS   9  -4.258  -2.228   0.290
   99    HZ1  LYS   9           1HZ      LYS   9  -4.685  -4.399   0.148
  100    HZ2  LYS   9           2HZ      LYS   9  -6.230  -4.029   0.731
  101    HZ3  LYS   9           3HZ      LYS   9  -5.028  -4.553   1.799
  102    H    LEU  10           H        LEU  10  -1.751   1.251  -0.535
  103    HA   LEU  10           HA       LEU  10  -2.138  -0.779  -2.520
  104    HB2  LEU  10           2HB      LEU  10  -2.782   1.681  -2.699
  105    HB3  LEU  10           1HB      LEU  10  -1.081   2.003  -2.975
  106    HG   LEU  10           HG       LEU  10  -1.506   0.100  -4.841
  107   HD11  LEU  10          1HD1      LEU  10  -4.114   1.553  -4.448
  108   HD12  LEU  10          2HD1      LEU  10  -3.831  -0.187  -4.519
  109   HD13  LEU  10          3HD1      LEU  10  -3.661   0.792  -5.975
  110   HD21  LEU  10          1HD2      LEU  10  -2.183   2.974  -5.392
  111   HD22  LEU  10          2HD2      LEU  10  -1.341   1.821  -6.426
  112   HD23  LEU  10          3HD2      LEU  10  -0.543   2.464  -4.991
  113    H    LEU  11           H        LEU  11   0.475   0.301  -0.741
  114    HA   LEU  11           HA       LEU  11   2.537  -0.247  -2.651
  115    HB2  LEU  11           2HB      LEU  11   2.400   0.575   0.206
  116    HB3  LEU  11           1HB      LEU  11   3.879  -0.189  -0.345
  117    HG   LEU  11           HG       LEU  11   2.713   2.450  -1.169
  118   HD11  LEU  11          1HD1      LEU  11   5.294   1.490   0.017
  119   HD12  LEU  11          2HD1      LEU  11   4.139   2.648   0.676
  120   HD13  LEU  11          3HD1      LEU  11   5.133   3.088  -0.714
  121   HD21  LEU  11          1HD2      LEU  11   4.651   0.722  -2.671
  122   HD22  LEU  11          2HD2      LEU  11   4.699   2.481  -2.798
  123   HD23  LEU  11          3HD2      LEU  11   3.247   1.600  -3.278
  124    H    LYS  12           H        LYS  12   1.475  -1.709   0.373
  125    HA   LYS  12           HA       LYS  12   3.112  -3.932   0.372
  126    HB2  LYS  12           2HB      LYS  12   1.951  -4.155   2.277
  127    HB3  LYS  12           1HB      LYS  12   0.705  -3.071   1.689
  128    HG2  LYS  12           2HG      LYS  12   0.722  -5.939   0.880
  129    HG3  LYS  12           1HG      LYS  12   0.074  -5.456   2.440
  130    HD2  LYS  12           2HD      LYS  12  -1.106  -3.675   0.728
  131    HD3  LYS  12           1HD      LYS  12  -1.036  -5.138  -0.247
  132    HE2  LYS  12           2HE      LYS  12  -1.915  -5.744   2.428
  133    HE3  LYS  12           1HE      LYS  12  -2.924  -4.498   1.700
  134    HZ1  LYS  12           1HZ      LYS  12  -3.842  -6.608   1.158
  135    HZ2  LYS  12           2HZ      LYS  12  -2.358  -7.183   0.592
  136    HZ3  LYS  12           3HZ      LYS  12  -3.167  -5.969  -0.255
  137    H    SER  13           H        SER  13  -0.073  -3.587  -1.097
  138    HA   SER  13           HA       SER  13  -0.097  -6.156  -2.356
  139    HB2  SER  13           2HB      SER  13  -1.967  -4.143  -1.856
  140    HB3  SER  13           1HB      SER  13  -1.794  -4.143  -3.612
  141    HG   SER  13           HG       SER  13  -2.722  -6.045  -3.703
  142    H    LEU  14           H        LEU  14   0.624  -2.846  -3.361
  143    HA   LEU  14           HA       LEU  14   0.838  -2.952  -6.035
  144    HB2  LEU  14           2HB      LEU  14   1.692  -0.968  -5.439
  145    HB3  LEU  14           1HB      LEU  14   2.211  -1.590  -3.889
  146    HG   LEU  14           HG       LEU  14   3.968  -2.465  -6.021
  147   HD11  LEU  14          1HD1      LEU  14   3.065   0.278  -6.110
  148   HD12  LEU  14          2HD1      LEU  14   4.120  -0.597  -7.221
  149   HD13  LEU  14          3HD1      LEU  14   4.797   0.178  -5.790
  150   HD21  LEU  14          1HD2      LEU  14   4.195  -1.074  -3.377
  151   HD22  LEU  14          2HD2      LEU  14   5.600  -1.275  -4.427
  152   HD23  LEU  14          3HD2      LEU  14   4.734  -2.690  -3.831
  153    H    LYS  15           H        LYS  15   3.410  -4.056  -3.840
  154    HA   LYS  15           HA       LYS  15   4.629  -5.507  -6.041
  155    HB2  LYS  15           2HB      LYS  15   5.941  -4.084  -4.401
  156    HB3  LYS  15           1HB      LYS  15   5.655  -5.350  -3.217
  157    HG2  LYS  15           2HG      LYS  15   6.791  -6.147  -5.838
  158    HG3  LYS  15           1HG      LYS  15   7.835  -5.278  -4.710
  159    HD2  LYS  15           2HD      LYS  15   8.216  -7.222  -3.694
  160    HD3  LYS  15           1HD      LYS  15   6.534  -7.201  -3.161
  161    HE2  LYS  15           2HE      LYS  15   6.780  -9.270  -4.222
  162    HE3  LYS  15           1HE      LYS  15   5.993  -8.253  -5.428
  163    HZ1  LYS  15           1HZ      LYS  15   7.686  -9.350  -6.569
  164    HZ2  LYS  15           2HZ      LYS  15   8.813  -9.131  -5.328
  165    HZ3  LYS  15           3HZ      LYS  15   8.332  -7.814  -6.274
  166    H    ARG  16           H        ARG  16   4.448  -6.569  -2.630
  167    HA   ARG  16           HA       ARG  16   3.708  -9.202  -3.648
  168    HB2  ARG  16           2HB      ARG  16   5.667  -9.194  -2.257
  169    HB3  ARG  16           1HB      ARG  16   4.810  -8.359  -0.974
  170    HG2  ARG  16           2HG      ARG  16   5.174 -10.815  -0.621
  171    HG3  ARG  16           1HG      ARG  16   3.504 -10.269  -0.475
  172    HD2  ARG  16           2HD      ARG  16   3.949 -10.964  -3.188
  173    HD3  ARG  16           1HD      ARG  16   4.589 -12.267  -2.190
  174    HE   ARG  16           HE       ARG  16   1.957 -11.357  -1.447
  175   HH11  ARG  16          1HH1      ARG  16   3.772 -13.573  -3.450
  176   HH12  ARG  16          2HH1      ARG  16   2.482 -14.725  -3.552
  177   HH21  ARG  16          1HH2      ARG  16   0.280 -12.863  -1.566
  178   HH22  ARG  16          2HH2      ARG  16   0.492 -14.321  -2.478
  179    H    LEU  17           H        LEU  17   3.051  -7.862  -0.523
  180    HA   LEU  17           HA       LEU  17   0.503  -7.151  -0.385
  181    HB2  LEU  17           2HB      LEU  17  -0.829  -8.813  -1.015
  182    HB3  LEU  17           1HB      LEU  17   0.535  -9.879  -1.245
  183    HG   LEU  17           HG       LEU  17   0.396 -10.416   1.232
  184   HD11  LEU  17          1HD1      LEU  17  -1.174  -9.550   2.557
  185   HD12  LEU  17          2HD1      LEU  17  -2.428  -9.696   1.324
  186   HD13  LEU  17          3HD1      LEU  17  -1.339  -8.310   1.317
  187   HD21  LEU  17          1HD2      LEU  17  -0.479 -12.244   0.330
  188   HD22  LEU  17          2HD2      LEU  17  -1.216 -11.315  -0.977
  189   HD23  LEU  17          3HD2      LEU  17  -2.074 -11.520   0.551
  190    H    GLY  18           H        GLY  18   3.109  -8.966   0.932
  191    HA2  GLY  18           2HA      GLY  18   2.645  -7.827   3.546
  192    HA3  GLY  18           1HA      GLY  18   2.517  -9.579   3.491
  Start of MODEL    6
    1    H1   ALA   1           1HT      ALA   1  -6.557  15.585   2.282
    2    H2   ALA   1           2HT      ALA   1  -5.314  16.675   1.822
    3    H3   ALA   1           3HT      ALA   1  -5.321  15.994   3.397
    4    HA   ALA   1           HA       ALA   1  -4.988  14.525   0.871
    5    HB1  ALA   1           1HB      ALA   1  -3.130  16.114   1.935
    6    HB2  ALA   1           2HB      ALA   1  -2.738  14.579   1.155
    7    HB3  ALA   1           3HB      ALA   1  -2.850  14.673   2.914
    8    H    LEU   2           H        LEU   2  -4.532  12.302   1.137
    9    HA   LEU   2           HA       LEU   2  -4.430  10.939   3.572
   10    HB2  LEU   2           2HB      LEU   2  -6.783   9.843   3.261
   11    HB3  LEU   2           1HB      LEU   2  -6.612  11.341   4.156
   12    HG   LEU   2           HG       LEU   2  -7.108  11.695   1.278
   13   HD11  LEU   2          1HD1      LEU   2  -8.499   9.752   1.617
   14   HD12  LEU   2          2HD1      LEU   2  -9.509  11.191   1.474
   15   HD13  LEU   2          3HD1      LEU   2  -9.211  10.476   3.059
   16   HD21  LEU   2          1HD2      LEU   2  -7.629  13.025   3.816
   17   HD22  LEU   2          2HD2      LEU   2  -9.016  13.055   2.724
   18   HD23  LEU   2          3HD2      LEU   2  -7.461  13.699   2.195
   19    H    TYR   3           H        TYR   3  -5.397  10.903   0.224
   20    HA   TYR   3           HA       TYR   3  -5.392   8.209  -0.300
   21    HB2  TYR   3           2HB      TYR   3  -4.291  10.363  -2.115
   22    HB3  TYR   3           1HB      TYR   3  -4.848   8.770  -2.622
   23    HD1  TYR   3           2HD      TYR   3  -7.139   9.246  -0.295
   24    HD2  TYR   3           1HD      TYR   3  -5.945  11.115  -3.919
   25    HE1  TYR   3           2HE      TYR   3  -9.406  10.116  -0.573
   26    HE2  TYR   3           1HE      TYR   3  -8.216  12.006  -4.211
   27    HH   TYR   3           HH       TYR   3 -10.527  12.000  -1.743
   28    H    LYS   4           H        LYS   4  -2.703  10.308   0.282
   29    HA   LYS   4           HA       LYS   4  -0.646   8.711  -0.698
   30    HB2  LYS   4           2HB      LYS   4   0.771  10.156   0.359
   31    HB3  LYS   4           1HB      LYS   4  -0.695  11.108   0.491
   32    HG2  LYS   4           2HG      LYS   4   0.175   9.235   2.673
   33    HG3  LYS   4           1HG      LYS   4   0.774  10.886   2.559
   34    HD2  LYS   4           2HD      LYS   4  -2.074   9.986   2.948
   35    HD3  LYS   4           1HD      LYS   4  -1.067  10.895   4.070
   36    HE2  LYS   4           2HE      LYS   4  -2.280  11.815   1.483
   37    HE3  LYS   4           1HE      LYS   4  -2.538  12.460   3.102
   38    HZ1  LYS   4           1HZ      LYS   4   0.101  12.783   2.824
   39    HZ2  LYS   4           2HZ      LYS   4  -1.036  13.974   2.438
   40    HZ3  LYS   4           3HZ      LYS   4  -0.398  12.988   1.220
   41    H    LYS   5           H        LYS   5  -2.557   8.537   2.159
   42    HA   LYS   5           HA       LYS   5  -1.124   6.543   3.521
   43    HB2  LYS   5           2HB      LYS   5  -2.746   7.432   4.887
   44    HB3  LYS   5           1HB      LYS   5  -3.868   7.664   3.553
   45    HG2  LYS   5           2HG      LYS   5  -4.045   5.082   3.598
   46    HG3  LYS   5           1HG      LYS   5  -3.412   5.254   5.236
   47    HD2  LYS   5           2HD      LYS   5  -5.474   7.193   4.826
   48    HD3  LYS   5           1HD      LYS   5  -6.075   5.608   4.334
   49    HE2  LYS   5           2HE      LYS   5  -6.127   4.842   6.443
   50    HE3  LYS   5           1HE      LYS   5  -4.578   5.582   6.849
   51    HZ1  LYS   5           1HZ      LYS   5  -6.777   7.435   6.497
   52    HZ2  LYS   5           2HZ      LYS   5  -5.573   7.396   7.684
   53    HZ3  LYS   5           3HZ      LYS   5  -6.928   6.393   7.822
   54    H    PHE   6           H        PHE   6  -3.763   6.511   1.219
   55    HA   PHE   6           HA       PHE   6  -4.148   3.774   1.015
   56    HB2  PHE   6           2HB      PHE   6  -4.307   5.681  -1.318
   57    HB3  PHE   6           1HB      PHE   6  -5.141   4.143  -1.153
   58    HD1  PHE   6           2HD      PHE   6  -5.471   5.258   2.004
   59    HD2  PHE   6           1HD      PHE   6  -6.711   6.332  -1.923
   60    HE1  PHE   6           2HE      PHE   6  -7.413   6.438   2.943
   61    HE2  PHE   6           1HE      PHE   6  -8.655   7.509  -0.991
   62    HZ   PHE   6           HZ       PHE   6  -9.003   7.567   1.442
   63    H    LYS   7           H        LYS   7  -1.553   5.721  -0.191
   64    HA   LYS   7           HA       LYS   7  -0.615   3.841  -2.100
   65    HB2  LYS   7           2HB      LYS   7   1.203   5.205  -2.417
   66    HB3  LYS   7           1HB      LYS   7   0.054   6.358  -1.764
   67    HG2  LYS   7           2HG      LYS   7   1.970   6.863  -0.601
   68    HG3  LYS   7           1HG      LYS   7   1.147   5.770   0.508
   69    HD2  LYS   7           2HD      LYS   7   2.667   4.109  -1.122
   70    HD3  LYS   7           1HD      LYS   7   3.713   5.489  -0.774
   71    HE2  LYS   7           2HE      LYS   7   2.225   4.540   1.551
   72    HE3  LYS   7           1HE      LYS   7   3.303   3.323   0.865
   73    HZ1  LYS   7           1HZ      LYS   7   3.947   5.834   2.193
   74    HZ2  LYS   7           2HZ      LYS   7   4.928   5.411   0.882
   75    HZ3  LYS   7           3HZ      LYS   7   4.780   4.361   2.200
   76    H    LYS   8           H        LYS   8  -0.231   4.312   1.324
   77    HA   LYS   8           HA       LYS   8   1.858   2.491   1.774
   78    HB2  LYS   8           2HB      LYS   8   1.290   2.543   4.041
   79    HB3  LYS   8           1HB      LYS   8   0.743   4.098   3.436
   80    HG2  LYS   8           2HG      LYS   8  -0.990   3.396   4.805
   81    HG3  LYS   8           1HG      LYS   8  -1.550   2.982   3.193
   82    HD2  LYS   8           2HD      LYS   8  -1.830   0.891   3.821
   83    HD3  LYS   8           1HD      LYS   8  -0.102   0.763   4.171
   84    HE2  LYS   8           2HE      LYS   8  -1.075   0.213   6.206
   85    HE3  LYS   8           1HE      LYS   8  -0.715   1.928   6.401
   86    HZ1  LYS   8           1HZ      LYS   8  -3.293   0.586   6.165
   87    HZ2  LYS   8           2HZ      LYS   8  -3.157   2.098   5.420
   88    HZ3  LYS   8           3HZ      LYS   8  -2.858   1.944   7.079
   89    H    LYS   9           H        LYS   9  -1.601   2.029   1.597
   90    HA   LYS   9           HA       LYS   9  -1.408  -0.833   1.910
   91    HB2  LYS   9           2HB      LYS   9  -3.405   0.807   2.498
   92    HB3  LYS   9           1HB      LYS   9  -3.872   0.472   0.837
   93    HG2  LYS   9           2HG      LYS   9  -3.335  -2.030   1.861
   94    HG3  LYS   9           1HG      LYS   9  -4.096  -1.188   3.210
   95    HD2  LYS   9           2HD      LYS   9  -6.067  -1.606   2.265
   96    HD3  LYS   9           1HD      LYS   9  -5.615  -0.507   0.962
   97    HE2  LYS   9           2HE      LYS   9  -6.024  -2.361  -0.285
   98    HE3  LYS   9           1HE      LYS   9  -4.335  -2.677   0.109
   99    HZ1  LYS   9           1HZ      LYS   9  -5.574  -3.787   2.197
  100    HZ2  LYS   9           2HZ      LYS   9  -5.148  -4.633   0.798
  101    HZ3  LYS   9           3HZ      LYS   9  -6.727  -4.055   0.988
  102    H    LEU  10           H        LEU  10  -1.357   1.450  -0.658
  103    HA   LEU  10           HA       LEU  10  -1.984  -0.507  -2.688
  104    HB2  LEU  10           2HB      LEU  10  -2.448   2.034  -2.777
  105    HB3  LEU  10           1HB      LEU  10  -0.747   2.183  -3.187
  106    HG   LEU  10           HG       LEU  10  -1.530   0.293  -4.965
  107   HD11  LEU  10          1HD1      LEU  10  -3.798   0.215  -4.728
  108   HD12  LEU  10          2HD1      LEU  10  -3.670   1.513  -5.917
  109   HD13  LEU  10          3HD1      LEU  10  -3.917   1.897  -4.212
  110   HD21  LEU  10          1HD2      LEU  10  -1.998   3.104  -5.776
  111   HD22  LEU  10          2HD2      LEU  10  -1.009   1.851  -6.529
  112   HD23  LEU  10          3HD2      LEU  10  -0.414   2.708  -5.106
  113    H    LEU  11           H        LEU  11   0.738   0.541  -0.960
  114    HA   LEU  11           HA       LEU  11   2.674  -0.203  -2.942
  115    HB2  LEU  11           2HB      LEU  11   4.239   0.684  -1.567
  116    HB3  LEU  11           1HB      LEU  11   2.842   1.439  -0.835
  117    HG   LEU  11           HG       LEU  11   2.843  -0.623   0.747
  118   HD11  LEU  11          1HD1      LEU  11   5.503  -1.075   0.988
  119   HD12  LEU  11          2HD1      LEU  11   5.344  -0.947  -0.764
  120   HD13  LEU  11          3HD1      LEU  11   4.390  -2.136   0.123
  121   HD21  LEU  11          1HD2      LEU  11   4.520   1.810   0.756
  122   HD22  LEU  11          2HD2      LEU  11   4.902   0.579   1.959
  123   HD23  LEU  11          3HD2      LEU  11   3.284   1.277   1.894
  124    H    LYS  12           H        LYS  12   1.301  -1.618  -0.044
  125    HA   LYS  12           HA       LYS  12   2.902  -3.944  -0.021
  126    HB2  LYS  12           2HB      LYS  12   1.713  -4.395   1.837
  127    HB3  LYS  12           1HB      LYS  12   0.837  -2.906   1.550
  128    HG2  LYS  12           2HG      LYS  12  -0.337  -5.058   0.029
  129    HG3  LYS  12           1HG      LYS  12  -0.194  -5.496   1.720
  130    HD2  LYS  12           2HD      LYS  12  -1.186  -3.100   2.105
  131    HD3  LYS  12           1HD      LYS  12  -1.768  -3.320   0.455
  132    HE2  LYS  12           2HE      LYS  12  -2.288  -5.158   2.784
  133    HE3  LYS  12           1HE      LYS  12  -3.448  -4.046   2.056
  134    HZ1  LYS  12           1HZ      LYS  12  -3.274  -5.291  -0.015
  135    HZ2  LYS  12           2HZ      LYS  12  -3.773  -6.295   1.251
  136    HZ3  LYS  12           3HZ      LYS  12  -2.177  -6.363   0.698
  137    H    SER  13           H        SER  13  -0.358  -3.391  -1.248
  138    HA   SER  13           HA       SER  13  -0.649  -5.823  -2.645
  139    HB2  SER  13           2HB      SER  13  -2.217  -3.540  -2.126
  140    HB3  SER  13           1HB      SER  13  -2.123  -3.668  -3.882
  141    HG   SER  13           HG       SER  13  -3.248  -5.467  -3.822
  142    H    LEU  14           H        LEU  14   0.440  -2.591  -3.612
  143    HA   LEU  14           HA       LEU  14   0.623  -2.692  -6.289
  144    HB2  LEU  14           2HB      LEU  14   1.583  -0.800  -5.368
  145    HB3  LEU  14           1HB      LEU  14   2.545  -1.716  -4.225
  146    HG   LEU  14           HG       LEU  14   3.374  -2.279  -6.933
  147   HD11  LEU  14          1HD1      LEU  14   3.988   0.540  -6.237
  148   HD12  LEU  14          2HD1      LEU  14   2.408   0.191  -6.937
  149   HD13  LEU  14          3HD1      LEU  14   3.874  -0.241  -7.816
  150   HD21  LEU  14          1HD2      LEU  14   4.483  -2.176  -4.416
  151   HD22  LEU  14          2HD2      LEU  14   5.207  -0.788  -5.229
  152   HD23  LEU  14          3HD2      LEU  14   5.364  -2.401  -5.927
  153    H    LYS  15           H        LYS  15   3.269  -3.919  -4.244
  154    HA   LYS  15           HA       LYS  15   4.117  -5.588  -6.458
  155    HB2  LYS  15           2HB      LYS  15   5.698  -4.170  -5.047
  156    HB3  LYS  15           1HB      LYS  15   5.485  -5.376  -3.786
  157    HG2  LYS  15           2HG      LYS  15   6.095  -6.710  -6.224
  158    HG3  LYS  15           1HG      LYS  15   7.266  -5.415  -5.974
  159    HD2  LYS  15           2HD      LYS  15   8.107  -6.361  -4.065
  160    HD3  LYS  15           1HD      LYS  15   6.586  -7.159  -3.663
  161    HE2  LYS  15           2HE      LYS  15   6.974  -8.918  -5.133
  162    HE3  LYS  15           1HE      LYS  15   8.149  -8.000  -6.074
  163    HZ1  LYS  15           1HZ      LYS  15   8.508  -9.448  -3.558
  164    HZ2  LYS  15           2HZ      LYS  15   9.433  -8.054  -3.801
  165    HZ3  LYS  15           3HZ      LYS  15   9.537  -9.340  -4.896
  166    H    ARG  16           H        ARG  16   4.254  -6.434  -2.984
  167    HA   ARG  16           HA       ARG  16   3.213  -9.055  -3.726
  168    HB2  ARG  16           2HB      ARG  16   5.348  -8.290  -2.103
  169    HB3  ARG  16           1HB      ARG  16   4.137  -8.927  -1.001
  170    HG2  ARG  16           2HG      ARG  16   5.350 -10.332  -3.370
  171    HG3  ARG  16           1HG      ARG  16   5.582 -10.712  -1.662
  172    HD2  ARG  16           2HD      ARG  16   2.838 -10.743  -2.868
  173    HD3  ARG  16           1HD      ARG  16   3.912 -12.123  -3.062
  174    HE   ARG  16           HE       ARG  16   2.897 -11.092  -0.498
  175   HH11  ARG  16          1HH1      ARG  16   4.297 -13.670  -2.398
  176   HH12  ARG  16          2HH1      ARG  16   4.128 -14.850  -1.146
  177   HH21  ARG  16          1HH2      ARG  16   2.671 -12.648   1.145
  178   HH22  ARG  16          2HH2      ARG  16   3.205 -14.273   0.868
  179    H    LEU  17           H        LEU  17   3.079  -7.492  -0.633
  180    HA   LEU  17           HA       LEU  17   0.580  -6.641  -0.257
  181    HB2  LEU  17           2HB      LEU  17  -0.874  -8.313  -0.475
  182    HB3  LEU  17           1HB      LEU  17   0.426  -9.430  -0.826
  183    HG   LEU  17           HG       LEU  17   0.694  -9.703   1.696
  184   HD11  LEU  17          1HD1      LEU  17  -1.120  -7.614   1.766
  185   HD12  LEU  17          2HD1      LEU  17  -0.633  -8.630   3.123
  186   HD13  LEU  17          3HD1      LEU  17  -2.079  -9.030   2.196
  187   HD21  LEU  17          1HD2      LEU  17  -0.795 -11.477   1.731
  188   HD22  LEU  17          2HD2      LEU  17  -0.534 -11.230   0.003
  189   HD23  LEU  17          3HD2      LEU  17  -2.000 -10.618   0.769
  190    H    GLY  18           H        GLY  18   3.253  -8.459   0.924
  191    HA2  GLY  18           2HA      GLY  18   3.144  -7.025   3.446
  192    HA3  GLY  18           1HA      GLY  18   3.022  -8.775   3.567
  Start of MODEL    7
    1    H1   ALA   1           1HT      ALA   1  -6.339  15.960   1.715
    2    H2   ALA   1           2HT      ALA   1  -6.301  14.514   0.791
    3    H3   ALA   1           3HT      ALA   1  -5.566  15.941   0.185
    4    HA   ALA   1           HA       ALA   1  -3.796  14.783   0.912
    5    HB1  ALA   1           1HB      ALA   1  -4.788  16.812   2.799
    6    HB2  ALA   1           2HB      ALA   1  -3.254  16.714   1.935
    7    HB3  ALA   1           3HB      ALA   1  -3.500  15.771   3.404
    8    H    LEU   2           H        LEU   2  -4.455  12.579   0.973
    9    HA   LEU   2           HA       LEU   2  -4.049  11.338   3.454
   10    HB2  LEU   2           2HB      LEU   2  -6.394  12.194   3.760
   11    HB3  LEU   2           1HB      LEU   2  -6.884  11.102   2.477
   12    HG   LEU   2           HG       LEU   2  -5.608   9.369   4.105
   13   HD11  LEU   2          1HD1      LEU   2  -6.573   9.967   6.414
   14   HD12  LEU   2          2HD1      LEU   2  -6.601  11.623   5.809
   15   HD13  LEU   2          3HD1      LEU   2  -5.074  10.741   5.902
   16   HD21  LEU   2          1HD2      LEU   2  -8.434  10.050   4.757
   17   HD22  LEU   2          2HD2      LEU   2  -7.686   8.476   4.493
   18   HD23  LEU   2          3HD2      LEU   2  -8.033   9.530   3.123
   19    H    TYR   3           H        TYR   3  -5.242  11.123   0.190
   20    HA   TYR   3           HA       TYR   3  -5.314   8.406  -0.176
   21    HB2  TYR   3           2HB      TYR   3  -4.211  10.353  -2.206
   22    HB3  TYR   3           1HB      TYR   3  -4.961   8.795  -2.534
   23    HD1  TYR   3           2HD      TYR   3  -7.056   9.621  -0.142
   24    HD2  TYR   3           1HD      TYR   3  -5.883  11.199  -3.911
   25    HE1  TYR   3           2HE      TYR   3  -9.243  10.706  -0.357
   26    HE2  TYR   3           1HE      TYR   3  -8.069  12.296  -4.139
   27    HH   TYR   3           HH       TYR   3 -10.309  12.507  -1.534
   28    H    LYS   4           H        LYS   4  -2.551  10.429   0.271
   29    HA   LYS   4           HA       LYS   4  -0.570   8.775  -0.783
   30    HB2  LYS   4           2HB      LYS   4   0.963  10.088   0.340
   31    HB3  LYS   4           1HB      LYS   4  -0.436  11.153   0.355
   32    HG2  LYS   4           2HG      LYS   4   0.309   9.327   2.633
   33    HG3  LYS   4           1HG      LYS   4   0.798  11.017   2.513
   34    HD2  LYS   4           2HD      LYS   4  -2.077  10.514   2.144
   35    HD3  LYS   4           1HD      LYS   4  -1.454  10.169   3.757
   36    HE2  LYS   4           2HE      LYS   4  -2.332  12.515   3.319
   37    HE3  LYS   4           1HE      LYS   4  -0.742  12.380   4.070
   38    HZ1  LYS   4           1HZ      LYS   4   0.290  12.794   1.950
   39    HZ2  LYS   4           2HZ      LYS   4  -0.812  14.034   2.275
   40    HZ3  LYS   4           3HZ      LYS   4  -1.211  12.818   1.170
   41    H    LYS   5           H        LYS   5  -2.358   8.677   2.167
   42    HA   LYS   5           HA       LYS   5  -0.985   6.577   3.432
   43    HB2  LYS   5           2HB      LYS   5  -2.477   7.548   4.896
   44    HB3  LYS   5           1HB      LYS   5  -3.645   7.879   3.624
   45    HG2  LYS   5           2HG      LYS   5  -4.251   5.490   3.623
   46    HG3  LYS   5           1HG      LYS   5  -3.178   5.255   5.004
   47    HD2  LYS   5           2HD      LYS   5  -4.503   6.645   6.392
   48    HD3  LYS   5           1HD      LYS   5  -5.389   7.298   5.013
   49    HE2  LYS   5           2HE      LYS   5  -6.809   5.548   4.930
   50    HE3  LYS   5           1HE      LYS   5  -5.558   4.381   5.352
   51    HZ1  LYS   5           1HZ      LYS   5  -5.841   5.749   7.645
   52    HZ2  LYS   5           2HZ      LYS   5  -6.639   4.301   7.294
   53    HZ3  LYS   5           3HZ      LYS   5  -7.426   5.778   7.053
   54    H    PHE   6           H        PHE   6  -3.760   6.752   1.300
   55    HA   PHE   6           HA       PHE   6  -4.334   4.053   1.076
   56    HB2  PHE   6           2HB      PHE   6  -4.509   6.019  -1.214
   57    HB3  PHE   6           1HB      PHE   6  -5.413   4.524  -1.044
   58    HD1  PHE   6           1HD      PHE   6  -5.450   5.764   2.154
   59    HD2  PHE   6           2HD      PHE   6  -7.013   6.635  -1.706
   60    HE1  PHE   6           1HE      PHE   6  -7.284   7.027   3.187
   61    HE2  PHE   6           2HE      PHE   6  -8.854   7.899  -0.679
   62    HZ   PHE   6           HZ       PHE   6  -8.988   8.102   1.768
   63    H    LYS   7           H        LYS   7  -1.735   5.874  -0.361
   64    HA   LYS   7           HA       LYS   7  -1.015   3.955  -2.296
   65    HB2  LYS   7           2HB      LYS   7   0.914   5.143  -2.681
   66    HB3  LYS   7           1HB      LYS   7  -0.148   6.385  -2.041
   67    HG2  LYS   7           2HG      LYS   7   1.713   6.847  -0.835
   68    HG3  LYS   7           1HG      LYS   7   0.988   5.648   0.231
   69    HD2  LYS   7           2HD      LYS   7   2.529   4.241  -1.669
   70    HD3  LYS   7           1HD      LYS   7   3.517   5.578  -1.074
   71    HE2  LYS   7           2HE      LYS   7   2.125   4.394   1.119
   72    HE3  LYS   7           1HE      LYS   7   2.935   3.126   0.198
   73    HZ1  LYS   7           1HZ      LYS   7   4.114   5.429   1.606
   74    HZ2  LYS   7           2HZ      LYS   7   4.940   4.731   0.305
   75    HZ3  LYS   7           3HZ      LYS   7   4.562   3.799   1.666
   76    H    LYS   8           H        LYS   8  -0.336   4.359   1.095
   77    HA   LYS   8           HA       LYS   8   1.632   2.413   1.437
   78    HB2  LYS   8           2HB      LYS   8   1.162   2.473   3.714
   79    HB3  LYS   8           1HB      LYS   8   0.570   4.034   3.163
   80    HG2  LYS   8           2HG      LYS   8  -1.069   3.225   4.636
   81    HG3  LYS   8           1HG      LYS   8  -1.724   2.961   3.026
   82    HD2  LYS   8           2HD      LYS   8  -1.892   0.788   3.356
   83    HD3  LYS   8           1HD      LYS   8  -0.212   0.673   3.895
   84    HE2  LYS   8           2HE      LYS   8  -2.677   1.239   5.523
   85    HE3  LYS   8           1HE      LYS   8  -1.519  -0.079   5.713
   86    HZ1  LYS   8           1HZ      LYS   8   0.104   1.938   6.102
   87    HZ2  LYS   8           2HZ      LYS   8  -0.824   1.297   7.361
   88    HZ3  LYS   8           3HZ      LYS   8  -1.326   2.708   6.577
   89    H    LYS   9           H        LYS   9  -1.825   2.165   1.193
   90    HA   LYS   9           HA       LYS   9  -1.909  -0.657   1.651
   91    HB2  LYS   9           2HB      LYS   9  -3.887   0.497   2.212
   92    HB3  LYS   9           1HB      LYS   9  -3.904   1.379   0.695
   93    HG2  LYS   9           2HG      LYS   9  -5.573  -0.084   0.274
   94    HG3  LYS   9           1HG      LYS   9  -4.224  -1.070  -0.285
   95    HD2  LYS   9           2HD      LYS   9  -4.827  -1.282   2.586
   96    HD3  LYS   9           1HD      LYS   9  -6.083  -1.890   1.506
   97    HE2  LYS   9           2HE      LYS   9  -3.562  -2.777   0.541
   98    HE3  LYS   9           1HE      LYS   9  -3.649  -3.129   2.267
   99    HZ1  LYS   9           1HZ      LYS   9  -6.075  -3.902   1.417
  100    HZ2  LYS   9           2HZ      LYS   9  -4.751  -4.938   1.597
  101    HZ3  LYS   9           3HZ      LYS   9  -5.122  -4.296   0.075
  102    H    LEU  10           H        LEU  10  -1.729   1.333  -1.225
  103    HA   LEU  10           HA       LEU  10  -2.003  -1.051  -2.869
  104    HB2  LEU  10           2HB      LEU  10  -1.119   0.919  -4.589
  105    HB3  LEU  10           1HB      LEU  10  -2.775   0.406  -4.357
  106    HG   LEU  10           HG       LEU  10  -1.745   2.479  -2.519
  107   HD11  LEU  10          1HD1      LEU  10  -0.839   3.395  -4.492
  108   HD12  LEU  10          2HD1      LEU  10  -2.386   4.209  -4.266
  109   HD13  LEU  10          3HD1      LEU  10  -2.238   2.913  -5.452
  110   HD21  LEU  10          1HD2      LEU  10  -4.038   3.346  -2.861
  111   HD22  LEU  10          2HD2      LEU  10  -4.006   1.684  -2.275
  112   HD23  LEU  10          3HD2      LEU  10  -4.342   2.013  -3.974
  113    H    LEU  11           H        LEU  11   0.362   0.347  -1.076
  114    HA   LEU  11           HA       LEU  11   2.563  -0.144  -2.830
  115    HB2  LEU  11           2HB      LEU  11   3.874   0.812  -1.253
  116    HB3  LEU  11           1HB      LEU  11   2.347   1.372  -0.609
  117    HG   LEU  11           HG       LEU  11   2.382  -0.718   0.868
  118   HD11  LEU  11          1HD1      LEU  11   3.979  -2.190   0.323
  119   HD12  LEU  11          2HD1      LEU  11   5.060  -1.122   1.218
  120   HD13  LEU  11          3HD1      LEU  11   4.935  -0.982  -0.536
  121   HD21  LEU  11          1HD2      LEU  11   2.748   1.054   2.201
  122   HD22  LEU  11          2HD2      LEU  11   3.938   1.761   1.110
  123   HD23  LEU  11          3HD2      LEU  11   4.411   0.470   2.213
  124    H    LYS  12           H        LYS  12   1.035  -1.733  -0.095
  125    HA   LYS  12           HA       LYS  12   2.764  -3.979  -0.029
  126    HB2  LYS  12           2HB      LYS  12   1.550  -4.352   1.820
  127    HB3  LYS  12           1HB      LYS  12   0.470  -3.050   1.365
  128    HG2  LYS  12           2HG      LYS  12  -0.083  -5.627   0.060
  129    HG3  LYS  12           1HG      LYS  12  -0.288  -5.598   1.807
  130    HD2  LYS  12           2HD      LYS  12  -2.088  -4.252   1.708
  131    HD3  LYS  12           1HD      LYS  12  -1.424  -3.302   0.383
  132    HE2  LYS  12           2HE      LYS  12  -3.233  -4.352  -0.617
  133    HE3  LYS  12           1HE      LYS  12  -1.889  -5.409  -1.041
  134    HZ1  LYS  12           1HZ      LYS  12  -4.223  -6.108   0.256
  135    HZ2  LYS  12           2HZ      LYS  12  -3.006  -6.210   1.426
  136    HZ3  LYS  12           3HZ      LYS  12  -2.869  -7.082  -0.015
  137    H    SER  13           H        SER  13  -0.481  -3.559  -1.383
  138    HA   SER  13           HA       SER  13  -0.660  -5.979  -2.789
  139    HB2  SER  13           2HB      SER  13  -2.235  -3.665  -2.452
  140    HB3  SER  13           1HB      SER  13  -1.997  -3.829  -4.191
  141    HG   SER  13           HG       SER  13  -2.697  -6.053  -3.910
  142    H    LEU  14           H        LEU  14   0.366  -2.754  -3.837
  143    HA   LEU  14           HA       LEU  14   0.831  -2.905  -6.444
  144    HB2  LEU  14           2HB      LEU  14   1.685  -0.972  -5.597
  145    HB3  LEU  14           1HB      LEU  14   2.413  -1.774  -4.218
  146    HG   LEU  14           HG       LEU  14   3.812  -2.554  -6.598
  147   HD11  LEU  14          1HD1      LEU  14   3.063   0.295  -6.427
  148   HD12  LEU  14          2HD1      LEU  14   3.492  -0.689  -7.827
  149   HD13  LEU  14          3HD1      LEU  14   4.756  -0.059  -6.771
  150   HD21  LEU  14          1HD2      LEU  14   4.629  -0.866  -4.237
  151   HD22  LEU  14          2HD2      LEU  14   5.722  -1.645  -5.380
  152   HD23  LEU  14          3HD2      LEU  14   4.705  -2.625  -4.326
  153    H    LYS  15           H        LYS  15   3.342  -4.026  -4.182
  154    HA   LYS  15           HA       LYS  15   4.489  -5.590  -6.333
  155    HB2  LYS  15           2HB      LYS  15   5.886  -4.171  -4.822
  156    HB3  LYS  15           1HB      LYS  15   5.523  -5.292  -3.519
  157    HG2  LYS  15           2HG      LYS  15   6.543  -6.570  -5.946
  158    HG3  LYS  15           1HG      LYS  15   7.672  -5.452  -5.179
  159    HD2  LYS  15           2HD      LYS  15   8.143  -6.972  -3.626
  160    HD3  LYS  15           1HD      LYS  15   6.447  -7.029  -3.146
  161    HE2  LYS  15           2HE      LYS  15   6.877  -9.229  -3.720
  162    HE3  LYS  15           1HE      LYS  15   6.171  -8.583  -5.200
  163    HZ1  LYS  15           1HZ      LYS  15   8.021  -9.708  -5.953
  164    HZ2  LYS  15           2HZ      LYS  15   8.979  -9.266  -4.631
  165    HZ3  LYS  15           3HZ      LYS  15   8.615  -8.128  -5.828
  166    H    ARG  16           H        ARG  16   4.298  -6.537  -2.899
  167    HA   ARG  16           HA       ARG  16   3.603  -9.207  -3.841
  168    HB2  ARG  16           2HB      ARG  16   5.479  -8.424  -2.031
  169    HB3  ARG  16           1HB      ARG  16   4.163  -8.918  -0.977
  170    HG2  ARG  16           2HG      ARG  16   5.296 -10.625  -3.177
  171    HG3  ARG  16           1HG      ARG  16   5.778 -10.724  -1.478
  172    HD2  ARG  16           2HD      ARG  16   2.887 -10.920  -2.209
  173    HD3  ARG  16           1HD      ARG  16   3.931 -12.321  -2.441
  174    HE   ARG  16           HE       ARG  16   3.024 -11.214   0.066
  175   HH11  ARG  16          1HH1      ARG  16   5.352 -13.267  -1.523
  176   HH12  ARG  16          2HH1      ARG  16   5.767 -14.130  -0.080
  177   HH21  ARG  16          1HH2      ARG  16   3.556 -12.341   1.968
  178   HH22  ARG  16          2HH2      ARG  16   4.741 -13.604   1.912
  179    H    LEU  17           H        LEU  17   2.859  -7.737  -0.788
  180    HA   LEU  17           HA       LEU  17   0.301  -7.094  -0.732
  181    HB2  LEU  17           2HB      LEU  17  -0.954  -8.822  -1.378
  182    HB3  LEU  17           1HB      LEU  17   0.438  -9.881  -1.437
  183    HG   LEU  17           HG       LEU  17   0.143 -10.202   1.073
  184   HD11  LEU  17          1HD1      LEU  17  -1.558  -9.283   2.189
  185   HD12  LEU  17          2HD1      LEU  17  -2.702  -9.582   0.881
  186   HD13  LEU  17          3HD1      LEU  17  -1.659  -8.162   0.837
  187   HD21  LEU  17          1HD2      LEU  17  -0.925 -12.110   0.603
  188   HD22  LEU  17          2HD2      LEU  17  -0.858 -11.556  -1.071
  189   HD23  LEU  17          3HD2      LEU  17  -2.308 -11.276  -0.104
  190    H    GLY  18           H        GLY  18   2.909  -8.807   0.697
  191    HA2  GLY  18           2HA      GLY  18   2.278  -7.650   3.289
  192    HA3  GLY  18           1HA      GLY  18   2.355  -9.405   3.232
  Start of MODEL    8
    1    H1   ALA   1           1HT      ALA   1  -5.975  14.860   1.483
    2    H2   ALA   1           2HT      ALA   1  -5.096  16.298   1.804
    3    H3   ALA   1           3HT      ALA   1  -5.987  15.536   3.058
    4    HA   ALA   1           HA       ALA   1  -3.701  14.356   1.637
    5    HB1  ALA   1           1HB      ALA   1  -2.574  15.893   2.851
    6    HB2  ALA   1           2HB      ALA   1  -2.808  14.705   4.134
    7    HB3  ALA   1           3HB      ALA   1  -3.882  16.099   4.015
    8    H    LEU   2           H        LEU   2  -4.272  12.286   1.524
    9    HA   LEU   2           HA       LEU   2  -4.318  10.673   3.812
   10    HB2  LEU   2           2HB      LEU   2  -6.739   9.797   3.293
   11    HB3  LEU   2           1HB      LEU   2  -6.474  11.133   4.397
   12    HG   LEU   2           HG       LEU   2  -6.877  11.934   1.594
   13   HD11  LEU   2          1HD1      LEU   2  -9.317  11.598   1.707
   14   HD12  LEU   2          2HD1      LEU   2  -9.096  10.636   3.167
   15   HD13  LEU   2          3HD1      LEU   2  -8.422  10.079   1.636
   16   HD21  LEU   2          1HD2      LEU   2  -7.126  13.811   2.771
   17   HD22  LEU   2          2HD2      LEU   2  -7.311  12.930   4.286
   18   HD23  LEU   2          3HD2      LEU   2  -8.707  13.192   3.243
   19    H    TYR   3           H        TYR   3  -5.131  11.060   0.439
   20    HA   TYR   3           HA       TYR   3  -5.245   8.380  -0.275
   21    HB2  TYR   3           2HB      TYR   3  -4.085  10.576  -2.002
   22    HB3  TYR   3           1HB      TYR   3  -4.799   9.064  -2.551
   23    HD1  TYR   3           2HD      TYR   3  -7.003   9.519  -0.193
   24    HD2  TYR   3           1HD      TYR   3  -5.682  11.654  -3.625
   25    HE1  TYR   3           2HE      TYR   3  -9.200  10.603  -0.352
   26    HE2  TYR   3           1HE      TYR   3  -7.876  12.754  -3.793
   27    HH   TYR   3           HH       TYR   3 -10.241  12.534  -1.292
   28    H    LYS   4           H        LYS   4  -2.575  10.276   0.717
   29    HA   LYS   4           HA       LYS   4  -0.548   8.718  -0.478
   30    HB2  LYS   4           2HB      LYS   4   0.944  10.014   0.695
   31    HB3  LYS   4           1HB      LYS   4  -0.467  11.052   0.796
   32    HG2  LYS   4           2HG      LYS   4   0.248   9.080   2.949
   33    HG3  LYS   4           1HG      LYS   4   0.869  10.728   2.914
   34    HD2  LYS   4           2HD      LYS   4  -2.021   9.883   3.085
   35    HD3  LYS   4           1HD      LYS   4  -1.059  10.633   4.355
   36    HE2  LYS   4           2HE      LYS   4  -2.099  11.849   1.817
   37    HE3  LYS   4           1HE      LYS   4  -2.364  12.367   3.480
   38    HZ1  LYS   4           1HZ      LYS   4  -0.774  13.848   2.978
   39    HZ2  LYS   4           2HZ      LYS   4  -0.151  12.935   1.699
   40    HZ3  LYS   4           3HZ      LYS   4   0.292  12.571   3.290
   41    H    LYS   5           H        LYS   5  -2.603   8.380   2.226
   42    HA   LYS   5           HA       LYS   5  -1.238   6.267   3.539
   43    HB2  LYS   5           2HB      LYS   5  -2.820   7.144   4.950
   44    HB3  LYS   5           1HB      LYS   5  -3.894   7.569   3.622
   45    HG2  LYS   5           2HG      LYS   5  -4.200   4.964   3.486
   46    HG3  LYS   5           1HG      LYS   5  -3.717   5.059   5.181
   47    HD2  LYS   5           2HD      LYS   5  -5.557   7.119   4.862
   48    HD3  LYS   5           1HD      LYS   5  -6.224   5.787   3.917
   49    HE2  LYS   5           2HE      LYS   5  -6.442   4.415   5.756
   50    HE3  LYS   5           1HE      LYS   5  -5.199   5.269   6.669
   51    HZ1  LYS   5           1HZ      LYS   5  -7.272   7.067   6.154
   52    HZ2  LYS   5           2HZ      LYS   5  -6.790   6.434   7.646
   53    HZ3  LYS   5           3HZ      LYS   5  -7.976   5.643   6.735
   54    H    PHE   6           H        PHE   6  -3.542   6.592   0.969
   55    HA   PHE   6           HA       PHE   6  -4.318   3.933   0.699
   56    HB2  PHE   6           2HB      PHE   6  -4.092   5.974  -1.506
   57    HB3  PHE   6           1HB      PHE   6  -5.020   4.486  -1.579
   58    HD1  PHE   6           1HD      PHE   6  -5.464   5.567   1.664
   59    HD2  PHE   6           2HD      PHE   6  -6.558   6.591  -2.321
   60    HE1  PHE   6           1HE      PHE   6  -7.434   6.757   2.515
   61    HE2  PHE   6           2HE      PHE   6  -8.535   7.782  -1.471
   62    HZ   PHE   6           HZ       PHE   6  -8.972   7.863   0.950
   63    H    LYS   7           H        LYS   7  -1.736   5.655  -0.956
   64    HA   LYS   7           HA       LYS   7  -0.885   3.432  -2.422
   65    HB2  LYS   7           2HB      LYS   7   1.324   4.577  -2.580
   66    HB3  LYS   7           1HB      LYS   7  -0.043   5.533  -3.103
   67    HG2  LYS   7           2HG      LYS   7   1.401   6.961  -1.891
   68    HG3  LYS   7           1HG      LYS   7  -0.023   6.676  -0.901
   69    HD2  LYS   7           2HD      LYS   7   2.393   6.599   0.136
   70    HD3  LYS   7           1HD      LYS   7   1.149   5.484   0.675
   71    HE2  LYS   7           2HE      LYS   7   2.317   3.729   0.015
   72    HE3  LYS   7           1HE      LYS   7   2.609   4.423  -1.574
   73    HZ1  LYS   7           1HZ      LYS   7   4.229   4.691   0.875
   74    HZ2  LYS   7           2HZ      LYS   7   4.352   5.835  -0.365
   75    HZ3  LYS   7           3HZ      LYS   7   4.718   4.212  -0.672
   76    H    LYS   8           H        LYS   8  -0.465   4.325   0.893
   77    HA   LYS   8           HA       LYS   8   1.741   2.718   1.535
   78    HB2  LYS   8           2HB      LYS   8   1.357   3.728   3.490
   79    HB3  LYS   8           1HB      LYS   8  -0.241   4.212   2.964
   80    HG2  LYS   8           2HG      LYS   8  -0.262   1.445   3.741
   81    HG3  LYS   8           1HG      LYS   8   0.438   2.435   5.013
   82    HD2  LYS   8           2HD      LYS   8  -1.620   3.966   4.572
   83    HD3  LYS   8           1HD      LYS   8  -2.302   2.516   3.831
   84    HE2  LYS   8           2HE      LYS   8  -1.535   1.372   6.044
   85    HE3  LYS   8           1HE      LYS   8  -1.542   3.018   6.676
   86    HZ1  LYS   8           1HZ      LYS   8  -3.796   1.390   5.718
   87    HZ2  LYS   8           2HZ      LYS   8  -3.897   3.075   5.635
   88    HZ3  LYS   8           3HZ      LYS   8  -3.665   2.315   7.127
   89    H    LYS   9           H        LYS   9  -1.691   1.960   1.746
   90    HA   LYS   9           HA       LYS   9  -1.239  -0.813   2.250
   91    HB2  LYS   9           2HB      LYS   9  -3.372  -0.612   2.932
   92    HB3  LYS   9           1HB      LYS   9  -3.487   0.973   2.196
   93    HG2  LYS   9           2HG      LYS   9  -4.962   0.175   0.754
   94    HG3  LYS   9           1HG      LYS   9  -3.744  -0.919   0.107
   95    HD2  LYS   9           2HD      LYS   9  -5.460  -1.519   2.511
   96    HD3  LYS   9           1HD      LYS   9  -5.819  -2.054   0.868
   97    HE2  LYS   9           2HE      LYS   9  -4.745  -3.892   1.795
   98    HE3  LYS   9           1HE      LYS   9  -3.451  -3.073   0.921
   99    HZ1  LYS   9           1HZ      LYS   9  -3.925  -2.504   3.775
  100    HZ2  LYS   9           2HZ      LYS   9  -2.509  -2.305   2.874
  101    HZ3  LYS   9           3HZ      LYS   9  -3.019  -3.853   3.312
  102    H    LEU  10           H        LEU  10  -1.556   1.192  -0.536
  103    HA   LEU  10           HA       LEU  10  -1.960  -0.994  -2.355
  104    HB2  LEU  10           2HB      LEU  10  -2.656   1.511  -2.606
  105    HB3  LEU  10           1HB      LEU  10  -1.012   1.712  -3.190
  106    HG   LEU  10           HG       LEU  10  -1.965  -0.481  -4.582
  107   HD11  LEU  10          1HD1      LEU  10  -4.144   1.419  -3.968
  108   HD12  LEU  10          2HD1      LEU  10  -4.215  -0.296  -4.371
  109   HD13  LEU  10          3HD1      LEU  10  -4.003   0.903  -5.649
  110   HD21  LEU  10          1HD2      LEU  10  -1.625   0.848  -6.489
  111   HD22  LEU  10          2HD2      LEU  10  -0.505   1.478  -5.281
  112   HD23  LEU  10          3HD2      LEU  10  -2.009   2.336  -5.622
  113    H    LEU  11           H        LEU  11   0.654   0.295  -0.724
  114    HA   LEU  11           HA       LEU  11   2.643  -0.286  -2.720
  115    HB2  LEU  11           2HB      LEU  11   4.196   0.663  -1.335
  116    HB3  LEU  11           1HB      LEU  11   2.754   1.443  -0.731
  117    HG   LEU  11           HG       LEU  11   2.736  -0.535   0.987
  118   HD11  LEU  11          1HD1      LEU  11   5.359  -0.815   1.467
  119   HD12  LEU  11          2HD1      LEU  11   5.382  -0.741  -0.293
  120   HD13  LEU  11          3HD1      LEU  11   4.417  -1.968   0.525
  121   HD21  LEU  11          1HD2      LEU  11   3.536   2.092   1.049
  122   HD22  LEU  11          2HD2      LEU  11   4.926   1.237   1.717
  123   HD23  LEU  11          3HD2      LEU  11   3.334   1.041   2.451
  124    H    LYS  12           H        LYS  12   1.367  -1.717   0.184
  125    HA   LYS  12           HA       LYS  12   3.081  -3.930   0.387
  126    HB2  LYS  12           2HB      LYS  12   1.757  -4.153   2.201
  127    HB3  LYS  12           1HB      LYS  12   0.605  -3.017   1.532
  128    HG2  LYS  12           2HG      LYS  12   0.183  -5.520   0.255
  129    HG3  LYS  12           1HG      LYS  12   0.309  -5.799   1.979
  130    HD2  LYS  12           2HD      LYS  12  -1.346  -3.864   2.226
  131    HD3  LYS  12           1HD      LYS  12  -1.645  -4.075   0.499
  132    HE2  LYS  12           2HE      LYS  12  -1.777  -6.416   2.365
  133    HE3  LYS  12           1HE      LYS  12  -3.148  -5.321   2.213
  134    HZ1  LYS  12           1HZ      LYS  12  -2.297  -5.987  -0.362
  135    HZ2  LYS  12           2HZ      LYS  12  -3.749  -6.405   0.399
  136    HZ3  LYS  12           3HZ      LYS  12  -2.407  -7.427   0.520
  137    H    SER  13           H        SER  13  -0.123  -3.668  -1.055
  138    HA   SER  13           HA       SER  13  -0.084  -6.127  -2.458
  139    HB2  SER  13           2HB      SER  13  -1.969  -4.176  -1.912
  140    HB3  SER  13           1HB      SER  13  -1.732  -4.027  -3.655
  141    HG   SER  13           HG       SER  13  -3.054  -5.665  -3.722
  142    H    LEU  14           H        LEU  14   0.652  -2.787  -3.370
  143    HA   LEU  14           HA       LEU  14   0.915  -2.787  -6.027
  144    HB2  LEU  14           2HB      LEU  14   1.701  -0.850  -5.081
  145    HB3  LEU  14           1HB      LEU  14   2.625  -1.698  -3.862
  146    HG   LEU  14           HG       LEU  14   3.806  -2.215  -6.399
  147   HD11  LEU  14          1HD1      LEU  14   3.766   0.721  -5.842
  148   HD12  LEU  14          2HD1      LEU  14   2.543  -0.014  -6.878
  149   HD13  LEU  14          3HD1      LEU  14   4.250  -0.129  -7.308
  150   HD21  LEU  14          1HD2      LEU  14   4.776  -0.508  -4.114
  151   HD22  LEU  14          2HD2      LEU  14   5.768  -1.285  -5.347
  152   HD23  LEU  14          3HD2      LEU  14   4.893  -2.267  -4.172
  153    H    LYS  15           H        LYS  15   3.617  -3.886  -3.972
  154    HA   LYS  15           HA       LYS  15   4.615  -5.421  -6.227
  155    HB2  LYS  15           2HB      LYS  15   6.078  -3.954  -4.712
  156    HB3  LYS  15           1HB      LYS  15   5.946  -5.256  -3.540
  157    HG2  LYS  15           2HG      LYS  15   6.798  -5.898  -6.319
  158    HG3  LYS  15           1HG      LYS  15   7.953  -5.155  -5.212
  159    HD2  LYS  15           2HD      LYS  15   8.374  -7.217  -4.469
  160    HD3  LYS  15           1HD      LYS  15   6.786  -7.162  -3.702
  161    HE2  LYS  15           2HE      LYS  15   5.786  -8.391  -5.396
  162    HE3  LYS  15           1HE      LYS  15   7.039  -7.985  -6.567
  163    HZ1  LYS  15           1HZ      LYS  15   7.319 -10.242  -5.945
  164    HZ2  LYS  15           2HZ      LYS  15   7.246  -9.878  -4.295
  165    HZ3  LYS  15           3HZ      LYS  15   8.575  -9.375  -5.213
  166    H    ARG  16           H        ARG  16   4.736  -6.351  -2.768
  167    HA   ARG  16           HA       ARG  16   3.927  -9.024  -3.620
  168    HB2  ARG  16           2HB      ARG  16   5.985  -9.047  -2.444
  169    HB3  ARG  16           1HB      ARG  16   5.336  -8.053  -1.147
  170    HG2  ARG  16           2HG      ARG  16   5.607 -10.438  -0.539
  171    HG3  ARG  16           1HG      ARG  16   3.951  -9.852  -0.377
  172    HD2  ARG  16           2HD      ARG  16   4.084 -10.794  -2.980
  173    HD3  ARG  16           1HD      ARG  16   5.018 -11.965  -2.053
  174    HE   ARG  16           HE       ARG  16   2.546 -11.370  -0.783
  175   HH11  ARG  16          1HH1      ARG  16   3.957 -13.194  -3.399
  176   HH12  ARG  16          2HH1      ARG  16   2.702 -14.386  -3.412
  177   HH21  ARG  16          1HH2      ARG  16   0.886 -12.938  -0.808
  178   HH22  ARG  16          2HH2      ARG  16   0.961 -14.241  -1.944
  179    H    LEU  17           H        LEU  17   3.579  -7.589  -0.495
  180    HA   LEU  17           HA       LEU  17   1.024  -6.915  -0.165
  181    HB2  LEU  17           2HB      LEU  17  -0.295  -8.675  -0.543
  182    HB3  LEU  17           1HB      LEU  17   1.092  -9.704  -0.827
  183    HG   LEU  17           HG       LEU  17   1.224 -10.062   1.667
  184   HD11  LEU  17          1HD1      LEU  17  -0.050  -8.873   3.027
  185   HD12  LEU  17          2HD1      LEU  17  -1.494  -9.544   2.273
  186   HD13  LEU  17          3HD1      LEU  17  -0.783  -8.057   1.647
  187   HD21  LEU  17          1HD2      LEU  17  -1.089 -11.401   1.559
  188   HD22  LEU  17          2HD2      LEU  17   0.367 -11.922   0.713
  189   HD23  LEU  17          3HD2      LEU  17  -0.888 -11.035  -0.155
  190    H    GLY  18           H        GLY  18   3.808  -8.565   1.016
  191    HA2  GLY  18           2HA      GLY  18   3.563  -7.234   3.565
  192    HA3  GLY  18           1HA      GLY  18   3.442  -8.983   3.663
  Start of MODEL    9
    1    H1   ALA   1           1HT      ALA   1  -4.085  15.003   1.608
    2    H2   ALA   1           2HT      ALA   1  -3.368  16.283   2.499
    3    H3   ALA   1           3HT      ALA   1  -4.718  15.438   3.141
    4    HA   ALA   1           HA       ALA   1  -2.221  14.075   2.475
    5    HB1  ALA   1           1HB      ALA   1  -2.825  15.815   4.807
    6    HB2  ALA   1           2HB      ALA   1  -1.301  15.536   3.963
    7    HB3  ALA   1           3HB      ALA   1  -1.924  14.324   5.082
    8    H    LEU   2           H        LEU   2  -3.360  12.235   1.996
    9    HA   LEU   2           HA       LEU   2  -4.057  10.539   4.121
   10    HB2  LEU   2           2HB      LEU   2  -6.488  10.287   3.583
   11    HB3  LEU   2           1HB      LEU   2  -6.053  11.779   4.403
   12    HG   LEU   2           HG       LEU   2  -6.236  11.748   1.421
   13   HD11  LEU   2          1HD1      LEU   2  -8.596  12.198   1.487
   14   HD12  LEU   2          2HD1      LEU   2  -8.607  12.112   3.249
   15   HD13  LEU   2          3HD1      LEU   2  -8.296  10.661   2.299
   16   HD21  LEU   2          1HD2      LEU   2  -5.551  13.824   2.007
   17   HD22  LEU   2          2HD2      LEU   2  -6.257  13.726   3.620
   18   HD23  LEU   2          3HD2      LEU   2  -7.283  14.073   2.228
   19    H    TYR   3           H        TYR   3  -4.173  11.301   0.749
   20    HA   TYR   3           HA       TYR   3  -4.874   8.675  -0.067
   21    HB2  TYR   3           2HB      TYR   3  -3.732  11.010  -1.617
   22    HB3  TYR   3           1HB      TYR   3  -4.346   9.526  -2.352
   23    HD1  TYR   3           2HD      TYR   3  -6.440   9.640   0.198
   24    HD2  TYR   3           1HD      TYR   3  -5.540  12.030  -3.199
   25    HE1  TYR   3           2HE      TYR   3  -8.705  10.499   0.241
   26    HE2  TYR   3           1HE      TYR   3  -7.828  12.925  -3.167
   27    HH   TYR   3           HH       TYR   3  -9.992  12.370  -0.534
   28    H    LYS   4           H        LYS   4  -2.132   9.962   1.150
   29    HA   LYS   4           HA       LYS   4  -0.286   8.255  -0.268
   30    HB2  LYS   4           2HB      LYS   4   1.394   9.505   0.687
   31    HB3  LYS   4           1HB      LYS   4   0.084  10.674   0.769
   32    HG2  LYS   4           2HG      LYS   4   0.744   8.842   3.061
   33    HG3  LYS   4           1HG      LYS   4   1.517  10.410   2.839
   34    HD2  LYS   4           2HD      LYS   4  -1.435   9.890   3.187
   35    HD3  LYS   4           1HD      LYS   4  -0.352  10.617   4.370
   36    HE2  LYS   4           2HE      LYS   4  -1.461  11.757   1.844
   37    HE3  LYS   4           1HE      LYS   4  -1.387  12.465   3.456
   38    HZ1  LYS   4           1HZ      LYS   4   0.230  13.631   2.347
   39    HZ2  LYS   4           2HZ      LYS   4   0.723  12.313   1.411
   40    HZ3  LYS   4           3HZ      LYS   4   1.151  12.396   3.045
   41    H    LYS   5           H        LYS   5  -2.373   8.301   2.325
   42    HA   LYS   5           HA       LYS   5  -1.173   6.298   3.941
   43    HB2  LYS   5           2HB      LYS   5  -2.670   7.413   5.242
   44    HB3  LYS   5           1HB      LYS   5  -3.645   7.879   3.853
   45    HG2  LYS   5           2HG      LYS   5  -3.909   5.088   4.186
   46    HG3  LYS   5           1HG      LYS   5  -4.141   5.849   5.761
   47    HD2  LYS   5           2HD      LYS   5  -6.026   6.966   5.105
   48    HD3  LYS   5           1HD      LYS   5  -5.466   7.137   3.441
   49    HE2  LYS   5           2HE      LYS   5  -7.116   5.631   3.089
   50    HE3  LYS   5           1HE      LYS   5  -5.811   4.506   3.463
   51    HZ1  LYS   5           1HZ      LYS   5  -8.094   4.291   4.650
   52    HZ2  LYS   5           2HZ      LYS   5  -7.499   5.525   5.644
   53    HZ3  LYS   5           3HZ      LYS   5  -6.668   4.057   5.531
   54    H    PHE   6           H        PHE   6  -4.152   6.308   2.028
   55    HA   PHE   6           HA       PHE   6  -4.386   3.555   2.036
   56    HB2  PHE   6           2HB      PHE   6  -5.974   3.729   0.178
   57    HB3  PHE   6           1HB      PHE   6  -6.323   4.771   1.534
   58    HD1  PHE   6           2HD      PHE   6  -3.952   5.483  -1.249
   59    HD2  PHE   6           1HD      PHE   6  -7.692   6.281   0.603
   60    HE1  PHE   6           2HE      PHE   6  -4.296   7.379  -2.768
   61    HE2  PHE   6           1HE      PHE   6  -8.049   8.168  -0.911
   62    HZ   PHE   6           HZ       PHE   6  -6.352   8.715  -2.589
   63    H    LYS   7           H        LYS   7  -2.387   5.571   0.101
   64    HA   LYS   7           HA       LYS   7  -1.882   3.602  -1.898
   65    HB2  LYS   7           2HB      LYS   7  -0.254   5.013  -2.733
   66    HB3  LYS   7           1HB      LYS   7  -1.305   6.160  -1.915
   67    HG2  LYS   7           2HG      LYS   7   0.721   6.872  -1.157
   68    HG3  LYS   7           1HG      LYS   7   0.325   5.697   0.092
   69    HD2  LYS   7           2HD      LYS   7   1.570   4.230  -1.931
   70    HD3  LYS   7           1HD      LYS   7   2.517   5.711  -1.772
   71    HE2  LYS   7           2HE      LYS   7   1.820   4.684   0.824
   72    HE3  LYS   7           1HE      LYS   7   2.610   3.433  -0.140
   73    HZ1  LYS   7           1HZ      LYS   7   3.695   5.900   0.934
   74    HZ2  LYS   7           2HZ      LYS   7   4.185   5.523  -0.640
   75    HZ3  LYS   7           3HZ      LYS   7   4.461   4.424   0.617
   76    H    LYS   8           H        LYS   8  -0.773   4.298   1.316
   77    HA   LYS   8           HA       LYS   8   1.522   2.735   1.401
   78    HB2  LYS   8           2HB      LYS   8   1.564   3.449   3.517
   79    HB3  LYS   8           1HB      LYS   8  -0.003   4.182   3.256
   80    HG2  LYS   8           2HG      LYS   8  -0.062   1.316   3.920
   81    HG3  LYS   8           1HG      LYS   8   0.553   2.375   5.181
   82    HD2  LYS   8           2HD      LYS   8  -1.508   3.761   4.913
   83    HD3  LYS   8           1HD      LYS   8  -2.122   2.531   3.807
   84    HE2  LYS   8           2HE      LYS   8  -1.849   0.856   5.625
   85    HE3  LYS   8           1HE      LYS   8  -1.432   2.177   6.717
   86    HZ1  LYS   8           1HZ      LYS   8  -3.581   2.524   7.049
   87    HZ2  LYS   8           2HZ      LYS   8  -3.979   1.264   5.993
   88    HZ3  LYS   8           3HZ      LYS   8  -3.816   2.841   5.403
   89    H    LYS   9           H        LYS   9  -1.830   1.943   1.859
   90    HA   LYS   9           HA       LYS   9  -1.371  -0.832   2.335
   91    HB2  LYS   9           2HB      LYS   9  -3.478  -0.698   3.057
   92    HB3  LYS   9           1HB      LYS   9  -3.567   0.954   2.477
   93    HG2  LYS   9           2HG      LYS   9  -5.176   0.304   1.104
   94    HG3  LYS   9           1HG      LYS   9  -3.984  -0.631   0.208
   95    HD2  LYS   9           2HD      LYS   9  -5.571  -1.622   2.571
   96    HD3  LYS   9           1HD      LYS   9  -5.925  -1.981   0.881
   97    HE2  LYS   9           2HE      LYS   9  -4.379  -3.589   0.803
   98    HE3  LYS   9           1HE      LYS   9  -3.170  -2.575   1.590
   99    HZ1  LYS   9           1HZ      LYS   9  -3.418  -3.979   3.289
  100    HZ2  LYS   9           2HZ      LYS   9  -4.884  -4.595   2.714
  101    HZ3  LYS   9           3HZ      LYS   9  -4.863  -3.160   3.609
  102    H    LEU  10           H        LEU  10  -2.024   1.162  -0.434
  103    HA   LEU  10           HA       LEU  10  -2.393  -1.029  -2.245
  104    HB2  LEU  10           2HB      LEU  10  -3.388   1.148  -2.726
  105    HB3  LEU  10           1HB      LEU  10  -1.797   1.887  -2.747
  106    HG   LEU  10           HG       LEU  10  -2.022  -0.321  -4.636
  107   HD11  LEU  10          1HD1      LEU  10  -3.739   2.101  -5.136
  108   HD12  LEU  10          2HD1      LEU  10  -4.370   0.530  -4.643
  109   HD13  LEU  10          3HD1      LEU  10  -3.530   0.701  -6.186
  110   HD21  LEU  10          1HD2      LEU  10  -1.385   1.798  -6.111
  111   HD22  LEU  10          2HD2      LEU  10  -0.210   0.980  -5.082
  112   HD23  LEU  10          3HD2      LEU  10  -0.994   2.457  -4.523
  113    H    LEU  11           H        LEU  11   0.268   0.434  -0.774
  114    HA   LEU  11           HA       LEU  11   2.177  -0.084  -2.841
  115    HB2  LEU  11           2HB      LEU  11   3.720   0.929  -1.500
  116    HB3  LEU  11           1HB      LEU  11   2.274   1.559  -0.738
  117    HG   LEU  11           HG       LEU  11   2.502  -0.499   0.839
  118   HD11  LEU  11          1HD1      LEU  11   5.043  -0.540  -0.661
  119   HD12  LEU  11          2HD1      LEU  11   4.160  -1.850   0.118
  120   HD13  LEU  11          3HD1      LEU  11   5.150  -0.754   1.089
  121   HD21  LEU  11          1HD2      LEU  11   2.800   1.357   2.057
  122   HD22  LEU  11          2HD2      LEU  11   3.824   2.116   0.839
  123   HD23  LEU  11          3HD2      LEU  11   4.510   0.938   1.959
  124    H    LYS  12           H        LYS  12   1.102  -1.644   0.082
  125    HA   LYS  12           HA       LYS  12   2.922  -3.783   0.102
  126    HB2  LYS  12           2HB      LYS  12   1.816  -3.983   2.051
  127    HB3  LYS  12           1HB      LYS  12   0.491  -2.998   1.463
  128    HG2  LYS  12           2HG      LYS  12   0.489  -5.770   0.489
  129    HG3  LYS  12           1HG      LYS  12   0.288  -5.582   2.227
  130    HD2  LYS  12           2HD      LYS  12  -1.539  -3.926   1.749
  131    HD3  LYS  12           1HD      LYS  12  -1.418  -4.382   0.051
  132    HE2  LYS  12           2HE      LYS  12  -1.700  -6.592   1.991
  133    HE3  LYS  12           1HE      LYS  12  -3.109  -5.553   1.767
  134    HZ1  LYS  12           1HZ      LYS  12  -3.038  -5.996  -0.598
  135    HZ2  LYS  12           2HZ      LYS  12  -3.122  -7.455   0.253
  136    HZ3  LYS  12           3HZ      LYS  12  -1.652  -6.949  -0.415
  137    H    SER  13           H        SER  13  -0.372  -3.575  -1.154
  138    HA   SER  13           HA       SER  13  -0.360  -6.083  -2.485
  139    HB2  SER  13           2HB      SER  13  -2.225  -4.034  -1.951
  140    HB3  SER  13           1HB      SER  13  -2.152  -4.180  -3.707
  141    HG   SER  13           HG       SER  13  -3.635  -5.662  -3.048
  142    H    LEU  14           H        LEU  14   0.195  -2.738  -3.469
  143    HA   LEU  14           HA       LEU  14   0.350  -2.735  -6.130
  144    HB2  LEU  14           2HB      LEU  14   1.091  -0.760  -5.279
  145    HB3  LEU  14           1HB      LEU  14   2.001  -1.537  -4.001
  146    HG   LEU  14           HG       LEU  14   3.198  -1.985  -6.608
  147   HD11  LEU  14          1HD1      LEU  14   4.062   0.536  -6.424
  148   HD12  LEU  14          2HD1      LEU  14   2.412   0.759  -5.844
  149   HD13  LEU  14          3HD1      LEU  14   2.702   0.061  -7.437
  150   HD21  LEU  14          1HD2      LEU  14   4.156  -0.768  -4.020
  151   HD22  LEU  14          2HD2      LEU  14   5.190  -1.122  -5.404
  152   HD23  LEU  14          3HD2      LEU  14   4.375  -2.433  -4.552
  153    H    LYS  15           H        LYS  15   3.073  -3.848  -4.114
  154    HA   LYS  15           HA       LYS  15   4.205  -5.177  -6.432
  155    HB2  LYS  15           2HB      LYS  15   5.649  -3.838  -4.940
  156    HB3  LYS  15           1HB      LYS  15   5.303  -4.953  -3.626
  157    HG2  LYS  15           2HG      LYS  15   6.241  -6.350  -5.973
  158    HG3  LYS  15           1HG      LYS  15   7.384  -5.107  -5.458
  159    HD2  LYS  15           2HD      LYS  15   8.034  -6.339  -3.715
  160    HD3  LYS  15           1HD      LYS  15   6.367  -6.571  -3.186
  161    HE2  LYS  15           2HE      LYS  15   7.259  -8.730  -3.606
  162    HE3  LYS  15           1HE      LYS  15   6.169  -8.360  -4.941
  163    HZ1  LYS  15           1HZ      LYS  15   8.553  -9.323  -5.360
  164    HZ2  LYS  15           2HZ      LYS  15   9.005  -7.696  -5.245
  165    HZ3  LYS  15           3HZ      LYS  15   7.880  -8.181  -6.413
  166    H    ARG  16           H        ARG  16   4.200  -6.382  -3.057
  167    HA   ARG  16           HA       ARG  16   3.492  -8.988  -4.158
  168    HB2  ARG  16           2HB      ARG  16   5.447  -8.318  -2.403
  169    HB3  ARG  16           1HB      ARG  16   4.188  -8.864  -1.308
  170    HG2  ARG  16           2HG      ARG  16   5.266 -10.449  -3.626
  171    HG3  ARG  16           1HG      ARG  16   5.729 -10.656  -1.935
  172    HD2  ARG  16           2HD      ARG  16   2.839 -10.781  -2.655
  173    HD3  ARG  16           1HD      ARG  16   3.866 -12.162  -3.033
  174    HE   ARG  16           HE       ARG  16   3.063 -11.246  -0.409
  175   HH11  ARG  16          1HH1      ARG  16   5.186 -13.296  -2.279
  176   HH12  ARG  16          2HH1      ARG  16   5.656 -14.257  -0.919
  177   HH21  ARG  16          1HH2      ARG  16   3.675 -12.505   1.372
  178   HH22  ARG  16          2HH2      ARG  16   4.798 -13.805   1.161
  179    H    LEU  17           H        LEU  17   2.853  -7.756  -0.970
  180    HA   LEU  17           HA       LEU  17   0.277  -7.163  -0.790
  181    HB2  LEU  17           2HB      LEU  17  -1.001  -8.876  -1.429
  182    HB3  LEU  17           1HB      LEU  17   0.413  -9.856  -1.730
  183    HG   LEU  17           HG       LEU  17   0.366 -10.476   0.734
  184   HD11  LEU  17          1HD1      LEU  17  -1.318  -9.854   2.100
  185   HD12  LEU  17          2HD1      LEU  17  -2.517  -9.889   0.809
  186   HD13  LEU  17          3HD1      LEU  17  -1.457  -8.492   0.986
  187   HD21  LEU  17          1HD2      LEU  17  -1.289 -12.201   0.385
  188   HD22  LEU  17          2HD2      LEU  17  -0.361 -11.957  -1.096
  189   HD23  LEU  17          3HD2      LEU  17  -1.990 -11.295  -0.955
  190    H    GLY  18           H        GLY  18   2.954  -8.934   0.443
  191    HA2  GLY  18           2HA      GLY  18   2.613  -7.797   3.044
  192    HA3  GLY  18           1HA      GLY  18   2.318  -9.530   3.031
  Start of MODEL   10
    1    H1   ALA   1           1HT      ALA   1  -3.331  14.473   5.762
    2    H2   ALA   1           2HT      ALA   1  -3.424  13.875   4.156
    3    H3   ALA   1           3HT      ALA   1  -1.901  14.277   4.838
    4    HA   ALA   1           HA       ALA   1  -1.885  12.056   5.028
    5    HB1  ALA   1           1HB      ALA   1  -1.811  13.400   7.264
    6    HB2  ALA   1           2HB      ALA   1  -1.871  11.638   7.291
    7    HB3  ALA   1           3HB      ALA   1  -3.336  12.575   7.585
    8    H    LEU   2           H        LEU   2  -3.073  10.768   3.745
    9    HA   LEU   2           HA       LEU   2  -5.264   9.362   4.701
   10    HB2  LEU   2           2HB      LEU   2  -6.472  11.490   4.416
   11    HB3  LEU   2           1HB      LEU   2  -6.036  11.488   2.718
   12    HG   LEU   2           HG       LEU   2  -7.365   9.515   2.324
   13   HD11  LEU   2          1HD1      LEU   2  -8.916   8.942   4.416
   14   HD12  LEU   2          2HD1      LEU   2  -7.463   9.447   5.281
   15   HD13  LEU   2          3HD1      LEU   2  -7.382   8.125   4.117
   16   HD21  LEU   2          1HD2      LEU   2  -9.012  11.435   3.956
   17   HD22  LEU   2          2HD2      LEU   2  -9.530  10.460   2.580
   18   HD23  LEU   2          3HD2      LEU   2  -8.409  11.801   2.339
   19    H    TYR   3           H        TYR   3  -4.877  10.713   1.475
   20    HA   TYR   3           HA       TYR   3  -5.118   8.221   0.235
   21    HB2  TYR   3           2HB      TYR   3  -3.873  10.704  -0.955
   22    HB3  TYR   3           1HB      TYR   3  -4.658   9.389  -1.834
   23    HD1  TYR   3           2HD      TYR   3  -6.808   9.095   0.383
   24    HD2  TYR   3           1HD      TYR   3  -5.415  12.374  -1.913
   25    HE1  TYR   3           2HE      TYR   3  -8.941  10.159   0.688
   26    HE2  TYR   3           1HE      TYR   3  -7.569  13.497  -1.612
   27    HH   TYR   3           HH       TYR   3  -9.933  12.399   0.622
   28    H    LYS   4           H        LYS   4  -2.527   9.718   1.692
   29    HA   LYS   4           HA       LYS   4  -0.533   8.208   0.279
   30    HB2  LYS   4           2HB      LYS   4   0.718   9.133   2.527
   31    HB3  LYS   4           1HB      LYS   4   0.623   9.997   1.003
   32    HG2  LYS   4           2HG      LYS   4  -1.417  10.345   3.163
   33    HG3  LYS   4           1HG      LYS   4   0.060  11.304   3.084
   34    HD2  LYS   4           2HD      LYS   4  -0.588  12.390   1.157
   35    HD3  LYS   4           1HD      LYS   4  -1.653  11.080   0.648
   36    HE2  LYS   4           2HE      LYS   4  -3.369  11.756   2.055
   37    HE3  LYS   4           1HE      LYS   4  -2.282  12.663   3.106
   38    HZ1  LYS   4           1HZ      LYS   4  -2.459  13.580   0.354
   39    HZ2  LYS   4           2HZ      LYS   4  -2.372  14.471   1.789
   40    HZ3  LYS   4           3HZ      LYS   4  -3.847  13.805   1.298
   41    H    LYS   5           H        LYS   5  -2.570   8.076   2.992
   42    HA   LYS   5           HA       LYS   5  -1.389   5.955   4.401
   43    HB2  LYS   5           2HB      LYS   5  -3.011   6.759   5.758
   44    HB3  LYS   5           1HB      LYS   5  -3.867   7.480   4.397
   45    HG2  LYS   5           2HG      LYS   5  -4.193   4.651   4.299
   46    HG3  LYS   5           1HG      LYS   5  -4.588   5.220   5.919
   47    HD2  LYS   5           2HD      LYS   5  -6.357   6.508   5.184
   48    HD3  LYS   5           1HD      LYS   5  -5.676   6.712   3.570
   49    HE2  LYS   5           2HE      LYS   5  -7.248   5.219   2.993
   50    HE3  LYS   5           1HE      LYS   5  -6.067   4.050   3.588
   51    HZ1  LYS   5           1HZ      LYS   5  -8.573   4.130   4.436
   52    HZ2  LYS   5           2HZ      LYS   5  -7.880   5.181   5.566
   53    HZ3  LYS   5           3HZ      LYS   5  -7.296   3.601   5.412
   54    H    PHE   6           H        PHE   6  -4.038   6.097   2.053
   55    HA   PHE   6           HA       PHE   6  -4.151   3.322   2.040
   56    HB2  PHE   6           2HB      PHE   6  -5.764   3.419   0.193
   57    HB3  PHE   6           1HB      PHE   6  -6.196   4.400   1.572
   58    HD1  PHE   6           1HD      PHE   6  -3.836   5.359  -1.136
   59    HD2  PHE   6           2HD      PHE   6  -7.681   5.834   0.617
   60    HE1  PHE   6           1HE      PHE   6  -4.278   7.263  -2.622
   61    HE2  PHE   6           2HE      PHE   6  -8.126   7.737  -0.863
   62    HZ   PHE   6           HZ       PHE   6  -6.427   8.452  -2.471
   63    H    LYS   7           H        LYS   7  -2.051   5.376   0.414
   64    HA   LYS   7           HA       LYS   7  -1.583   3.480  -1.689
   65    HB2  LYS   7           2HB      LYS   7   0.474   4.712  -2.183
   66    HB3  LYS   7           1HB      LYS   7  -0.908   5.788  -2.089
   67    HG2  LYS   7           2HG      LYS   7   0.291   7.046  -0.745
   68    HG3  LYS   7           1HG      LYS   7   0.128   5.777   0.464
   69    HD2  LYS   7           2HD      LYS   7   2.167   4.770  -0.926
   70    HD3  LYS   7           1HD      LYS   7   2.433   6.488  -1.243
   71    HE2  LYS   7           2HE      LYS   7   1.801   5.886   1.536
   72    HE3  LYS   7           1HE      LYS   7   3.281   5.114   0.968
   73    HZ1  LYS   7           1HZ      LYS   7   3.486   7.430   1.951
   74    HZ2  LYS   7           2HZ      LYS   7   2.766   7.992   0.527
   75    HZ3  LYS   7           3HZ      LYS   7   4.241   7.167   0.459
   76    H    LYS   8           H        LYS   8  -0.924   3.856   1.631
   77    HA   LYS   8           HA       LYS   8   1.363   2.276   2.036
   78    HB2  LYS   8           2HB      LYS   8  -1.155   2.327   3.721
   79    HB3  LYS   8           1HB      LYS   8   0.350   1.586   4.209
   80    HG2  LYS   8           2HG      LYS   8  -0.530   4.216   4.647
   81    HG3  LYS   8           1HG      LYS   8   0.999   3.476   5.117
   82    HD2  LYS   8           2HD      LYS   8   0.569   4.545   2.365
   83    HD3  LYS   8           1HD      LYS   8   1.038   5.605   3.691
   84    HE2  LYS   8           2HE      LYS   8   2.730   3.371   3.859
   85    HE3  LYS   8           1HE      LYS   8   2.669   3.802   2.152
   86    HZ1  LYS   8           1HZ      LYS   8   2.954   6.198   3.390
   87    HZ2  LYS   8           2HZ      LYS   8   4.210   5.307   2.687
   88    HZ3  LYS   8           3HZ      LYS   8   3.908   5.180   4.348
   89    H    LYS   9           H        LYS   9  -1.997   1.388   2.264
   90    HA   LYS   9           HA       LYS   9  -1.578  -1.402   2.166
   91    HB2  LYS   9           2HB      LYS   9  -3.755   0.298   2.531
   92    HB3  LYS   9           1HB      LYS   9  -4.143  -0.591   1.065
   93    HG2  LYS   9           2HG      LYS   9  -3.203  -2.056   3.492
   94    HG3  LYS   9           1HG      LYS   9  -4.881  -1.521   3.366
   95    HD2  LYS   9           2HD      LYS   9  -3.434  -3.258   1.366
   96    HD3  LYS   9           1HD      LYS   9  -4.597  -3.825   2.567
   97    HE2  LYS   9           2HE      LYS   9  -5.857  -1.721   1.203
   98    HE3  LYS   9           1HE      LYS   9  -5.062  -2.689  -0.036
   99    HZ1  LYS   9           1HZ      LYS   9  -6.222  -4.535   1.595
  100    HZ2  LYS   9           2HZ      LYS   9  -6.829  -4.007   0.107
  101    HZ3  LYS   9           3HZ      LYS   9  -7.372  -3.294   1.542
  102    H    LEU  10           H        LEU  10  -1.919   0.992  -0.325
  103    HA   LEU  10           HA       LEU  10  -2.227  -0.968  -2.414
  104    HB2  LEU  10           2HB      LEU  10  -3.220   1.277  -2.617
  105    HB3  LEU  10           1HB      LEU  10  -1.612   1.973  -2.610
  106    HG   LEU  10           HG       LEU  10  -1.675   0.020  -4.666
  107   HD11  LEU  10          1HD1      LEU  10  -3.967   0.048  -4.956
  108   HD12  LEU  10          2HD1      LEU  10  -3.437   1.303  -6.074
  109   HD13  LEU  10          3HD1      LEU  10  -4.112   1.746  -4.505
  110   HD21  LEU  10          1HD2      LEU  10  -1.842   2.919  -5.283
  111   HD22  LEU  10          2HD2      LEU  10  -0.732   1.690  -5.890
  112   HD23  LEU  10          3HD2      LEU  10  -0.497   2.371  -4.281
  113    H    LEU  11           H        LEU  11   0.318   0.006  -0.557
  114    HA   LEU  11           HA       LEU  11   2.324  -0.166  -2.635
  115    HB2  LEU  11           2HB      LEU  11   3.829   0.690  -1.153
  116    HB3  LEU  11           1HB      LEU  11   2.356   1.315  -0.446
  117    HG   LEU  11           HG       LEU  11   2.447  -0.853   1.010
  118   HD11  LEU  11          1HD1      LEU  11   4.161  -2.167   0.362
  119   HD12  LEU  11          2HD1      LEU  11   5.091  -1.102   1.416
  120   HD13  LEU  11          3HD1      LEU  11   5.073  -0.822  -0.325
  121   HD21  LEU  11          1HD2      LEU  11   3.690   1.770   1.270
  122   HD22  LEU  11          2HD2      LEU  11   4.409   0.540   2.313
  123   HD23  LEU  11          3HD2      LEU  11   2.679   0.871   2.403
  124    H    LYS  12           H        LYS  12   1.125  -2.030   0.074
  125    HA   LYS  12           HA       LYS  12   3.008  -4.147  -0.149
  126    HB2  LYS  12           2HB      LYS  12   1.999  -4.709   1.771
  127    HB3  LYS  12           1HB      LYS  12   0.757  -3.504   1.488
  128    HG2  LYS  12           2HG      LYS  12   0.394  -6.064   0.059
  129    HG3  LYS  12           1HG      LYS  12   0.277  -6.131   1.815
  130    HD2  LYS  12           2HD      LYS  12  -1.500  -4.582   1.863
  131    HD3  LYS  12           1HD      LYS  12  -1.220  -4.094   0.192
  132    HE2  LYS  12           2HE      LYS  12  -1.792  -6.493  -0.435
  133    HE3  LYS  12           1HE      LYS  12  -2.385  -6.666   1.216
  134    HZ1  LYS  12           1HZ      LYS  12  -3.355  -4.410  -0.381
  135    HZ2  LYS  12           2HZ      LYS  12  -4.144  -5.291   0.828
  136    HZ3  LYS  12           3HZ      LYS  12  -3.968  -5.950  -0.719
  137    H    SER  13           H        SER  13  -0.223  -3.576  -1.416
  138    HA   SER  13           HA       SER  13  -0.345  -5.995  -2.931
  139    HB2  SER  13           2HB      SER  13  -2.349  -4.690  -2.114
  140    HB3  SER  13           1HB      SER  13  -1.975  -3.484  -3.347
  141    HG   SER  13           HG       SER  13  -2.468  -6.233  -3.864
  142    H    LEU  14           H        LEU  14   0.812  -2.753  -3.463
  143    HA   LEU  14           HA       LEU  14   0.879  -2.579  -6.213
  144    HB2  LEU  14           2HB      LEU  14   1.981  -0.706  -5.705
  145    HB3  LEU  14           1HB      LEU  14   2.018  -1.237  -4.041
  146    HG   LEU  14           HG       LEU  14   4.190  -2.431  -4.603
  147   HD11  LEU  14          1HD1      LEU  14   5.183  -0.836  -6.608
  148   HD12  LEU  14          2HD1      LEU  14   3.563  -1.229  -7.182
  149   HD13  LEU  14          3HD1      LEU  14   4.691  -2.522  -6.778
  150   HD21  LEU  14          1HD2      LEU  14   3.932   0.563  -4.628
  151   HD22  LEU  14          2HD2      LEU  14   5.484  -0.272  -4.509
  152   HD23  LEU  14          3HD2      LEU  14   4.262  -0.495  -3.254
  153    H    LYS  15           H        LYS  15   3.243  -4.080  -4.046
  154    HA   LYS  15           HA       LYS  15   4.623  -5.249  -6.320
  155    HB2  LYS  15           2HB      LYS  15   5.860  -4.199  -4.414
  156    HB3  LYS  15           1HB      LYS  15   5.292  -5.505  -3.388
  157    HG2  LYS  15           2HG      LYS  15   6.539  -6.497  -5.805
  158    HG3  LYS  15           1HG      LYS  15   7.618  -5.456  -4.876
  159    HD2  LYS  15           2HD      LYS  15   7.545  -6.837  -3.006
  160    HD3  LYS  15           1HD      LYS  15   6.047  -7.614  -3.520
  161    HE2  LYS  15           2HE      LYS  15   7.373  -8.564  -5.461
  162    HE3  LYS  15           1HE      LYS  15   8.819  -8.006  -4.619
  163    HZ1  LYS  15           1HZ      LYS  15   8.706 -10.062  -3.736
  164    HZ2  LYS  15           2HZ      LYS  15   7.041 -10.218  -3.984
  165    HZ3  LYS  15           3HZ      LYS  15   7.619  -9.332  -2.664
  166    H    ARG  16           H        ARG  16   3.986  -6.771  -3.159
  167    HA   ARG  16           HA       ARG  16   3.257  -9.191  -4.595
  168    HB2  ARG  16           2HB      ARG  16   4.903  -8.845  -2.474
  169    HB3  ARG  16           1HB      ARG  16   3.420  -9.313  -1.660
  170    HG2  ARG  16           2HG      ARG  16   4.604 -10.882  -3.931
  171    HG3  ARG  16           1HG      ARG  16   4.987 -11.184  -2.233
  172    HD2  ARG  16           2HD      ARG  16   2.142 -11.078  -3.148
  173    HD3  ARG  16           1HD      ARG  16   3.091 -12.545  -3.379
  174    HE   ARG  16           HE       ARG  16   2.123 -11.457  -0.875
  175   HH11  ARG  16          1HH1      ARG  16   4.282 -13.736  -2.422
  176   HH12  ARG  16          2HH1      ARG  16   4.470 -14.705  -0.999
  177   HH21  ARG  16          1HH2      ARG  16   2.374 -12.730   0.986
  178   HH22  ARG  16          2HH2      ARG  16   3.389 -14.134   0.937
  179    H    LEU  17           H        LEU  17   2.114  -8.119  -1.469
  180    HA   LEU  17           HA       LEU  17  -0.346  -7.229  -1.650
  181    HB2  LEU  17           2HB      LEU  17  -1.564  -8.578  -2.960
  182    HB3  LEU  17           1HB      LEU  17  -0.354  -9.839  -2.918
  183    HG   LEU  17           HG       LEU  17  -1.320 -10.495  -0.645
  184   HD11  LEU  17          1HD1      LEU  17  -2.934  -9.251   0.226
  185   HD12  LEU  17          2HD1      LEU  17  -3.967  -9.664  -1.144
  186   HD13  LEU  17          3HD1      LEU  17  -2.954  -8.222  -1.207
  187   HD21  LEU  17          1HD2      LEU  17  -2.690 -12.036  -1.653
  188   HD22  LEU  17          2HD2      LEU  17  -1.698 -11.516  -3.016
  189   HD23  LEU  17          3HD2      LEU  17  -3.328 -10.871  -2.815
  190    H    GLY  18           H        GLY  18   1.734  -9.547  -0.214
  191    HA2  GLY  18           2HA      GLY  18   0.796  -8.819   2.408
  192    HA3  GLY  18           1HA      GLY  18   0.452 -10.489   1.986