*HEADER    ANTIMICROBIAL PROTEIN                   07-JUL-07   2RLH              
*TITLE     NMR STRUCTURE OF THE ANTIMICROBIAL PEPTIDE RP-1 BOUND TO              
*TITLE    2 DPC 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 2RLH    0                                                


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

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

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

assign (residue  1 and name HB#)  (residue  3 and name HN)   3.4 1.6 1.0 !
assign (residue  2 and name HA)   (residue  5 and name HN)   3.4 1.6 0.0 !
assign (residue  2 and name HA)   (residue  5 and name HB#)  5.0 3.2 1.0 !
assign (residue  2 and name HA)   (residue  6 and name HN)   5.0 3.2 0.0 !
assign (residue  2 and name HB#)  (residue  6 and name HN)   3.4 1.6 1.0 !
assign (residue  2 and name HB#)  (residue  4 and name HN)   3.4 1.6 1.0 !
assign (residue  2 and name HB#)  (residue  5 and name HE#)  3.4 1.6 2.0 !
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  3 and name HA)   (residue  6 and name HB#)  3.4 1.6 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 HN)   3.4 1.6 0.0 !
assign (residue  3 and name HA)   (residue  6 and name HZ)   5.0 3.2 0.0 !
assign (residue  3 and name HA)   (residue  5 and name HN)   5.0 3.2 0.0 !
assign (residue  3 and name HA)   (residue  7 and name HN)   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 HE#)  3.4 1.6 4.0 !
assign (residue  3 and name HB#)  (residue  6 and name HD#)  3.4 1.6 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)   3.4 1.6 3.0 !
assign (residue  4 and name HA)   (residue  7 and name HN)   3.4 1.6 0.0 !
assign (residue  4 and name HA)   (residue  6 and name HN)   5.0 3.2 0.0 !
assign (residue  4 and name HA)   (residue  6 and name HB#)  5.0 3.2 1.0 !
assign (residue  4 and name HB#)  (residue  2 and name HN)   3.4 1.6 1.0 !
assign (residue  4 and name HB#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
assign (residue  4 and name HB#)  (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 HG#)  (residue  2 and name HG)   5.0 3.2 1.0 !
assign (residue  4 and name HN)   (residue  2 and name HN)   3.4 1.6 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  4 and name HB#)  (residue  6 and name HN)   5.0 3.2 1.0 !
assign (residue  5 and name HA)   (residue  7 and name HN)   5.0 3.2 0.0 !
assign (residue  5 and name HB#)  (residue  7 and name HN)   5.0 3.2 1.0 !
assign (residue  5 and name HA)   (residue  8 and name HN)   3.4 1.6 1.0 !
assign (residue  5 and name HD#)  (residue  2 and name HB#)  3.4 1.6 2.0 !
assign (residue  5 and name HD#)  (residue  3 and name HE#)  5.0 3.2 4.0 !
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  5 and name HN)   (residue  3 and name HN)   5.0 3.2 0.0 !
assign (residue  5 and name HA)   (residue  8 and name HB#)  5.0 3.2 1.0 !
assign (residue  6 and name HA)   (residue  3 and name HD#)  5.0 3.2 3.0 !
assign (residue  6 and name HE#)  (residue  8 and name HB#)  5.0 3.2 4.0 !
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 HN)   3.4 1.6 0.0 !
assign (residue  6 and name HB#)  (residue  3 and name HN)   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 HN)   5.0 3.2 1.0 !
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 HE#)  (residue  2 and name HD##) 3.4 1.6 6.0 !
assign (residue  6 and name HN)   (residue  8 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HD#)  (residue  9 and name HN)   5.0 3.2 3.0 !
assign (residue  6 and name HZ)   (residue  3 and name HN)   5.0 3.2 0.0 !
assign (residue  6 and name HN)   (residue  3 and name HN)   5.0 3.2 0.0 !
assign (residue  7 and name HA)   (residue  3 and name HE#)  5.0 3.2 3.0 !
assign (residue  7 and name HB#)  (residue  4 and name HA)   3.4 1.6 1.0 !
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 HA)   (residue 10 and name HN)   3.4 1.6 0.0 !
assign (residue  7 and name HA)   (residue 10 and name HB#)  3.4 1.6 1.0 !
assign (residue  7 and name HN)   (residue 10 and name HN)   5.0 3.2 0.0 !
assign (residue  7 and name HA)   (residue 11 and name HN)   5.0 3.2 0.0 !
assign (residue  8 and name HA)   (residue 11 and name HD##) 3.4 1.6 3.0 !
assign (residue  8 and name HA)   (residue 11 and name HG)   3.4 1.6 0.0 !
assign (residue  8 and name HA)   (residue 11 and name HB#)  3.4 1.6 1.0 !
assign (residue  8 and name HB#)  (residue 10 and name HN)   5.0 3.2 1.0 !
assign (residue  8 and name HN)   (residue 11 and name HN)   5.0 3.2 0.0 !
assign (residue  8 and name HA)   (residue 10 and name HN)   5.0 3.2 0.0 !
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  9 and name HB#)  (residue 11 and name HN)   5.0 3.2 1.0 !
assign (residue  9 and name HN)   (residue 11 and name HN)   5.0 3.2 0.0 !
assign (residue  9 and name HA)   (residue 12 and name HN)   3.4 1.6 0.0 !
assign (residue  9 and name HA)   (residue 11 and name HN)   3.4 1.6 0.0 !
assign (residue  9 and name HA)   (residue 12 and name HB#)  3.4 1.6 1.0 !
assign (residue 10 and name HD##) (residue  6 and name HD#)  3.4 1.6 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 11 and name HA)   (residue 14 and name HB#)  2.8 1.0 1.0 !
assign (residue 11 and name HB#)  (residue 13 and name HN)   3.4 1.6 1.0 !
assign (residue 11 and name HB#)  (residue 14 and name HN)   5.0 3.2 1.0 !
assign (residue 11 and name HD##) (residue 14 and name HN)   5.0 3.2 3.0 !
assign (residue 11 and name HD##) (residue  9 and name HE#)  5.0 3.2 4.0 !
assign (residue 11 and name HG)   (residue  9 and name HN)   5.0 3.2 0.0 !
assign (residue 12 and name HA)   (residue 15 and name HN)   3.4 1.6 0.0 !
assign (residue 12 and name HA)   (residue 15 and name HB#)  3.4 1.6 1.0 !
assign (residue 12 and name HA)   (residue 14 and name HN)   5.0 3.2 0.0 !
assign (residue 12 and name HB#)  (residue 14 and name HN)   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 HA)   (residue 15 and name HN)   5.0 3.2 0.0 !
assign (residue 13 and name HA)   (residue 16 and name HG#)  5.0 3.2 1.0 !
assign (residue 14 and name HD##) (residue 11 and name HN)   3.4 1.6 3.0 !
assign (residue 14 and name HD##) (residue 11 and name HB#)  2.8 1.0 4.0 !
assign (residue 14 and name HD##) (residue 12 and name HN)   5.0 3.2 3.0 !
assign (residue 16 and name HB#)  (residue 18 and name HN)   3.4 1.6 1.0 !
assign (residue 16 and name HG#)  (residue 18 and name HN)   5.0 3.2 1.0 !
assign (residue 17 and name HD##) (residue 14 and name HB#)  5.0 3.2 4.0 !
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 HD##) (residue  4 and name HN)   5.0 3.2 3.0 !
    OR (residue 14 and name HD##) (residue 13 and name HN)
    OR (residue 14 and name HD##) (residue 16 and name HN) 
assign (residue  2 and name HG)   (residue  6 and name HZ)   5.0 3.2 3.0 !
    OR (residue  2 and name HG)   (residue  3 and name HD#)
assign (residue  2 and name HD##) (residue  6 and name HD#)  5.0 3.2 6.0 !
    OR (residue 11 and name HD##) (residue  6 and name HD#)
assign (residue  4 and name HG#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
    OR (residue  4 and name HG#)  (residue  6 and name HZ)
assign (residue  2 and name HD##) (residue  6 and name HE#)  5.0 3.2 6.0 !
    OR (residue 11 and name HD##) (residue  6 and name HE#)
assign (residue 14 and name HA)   (residue 13 and name HB#)  5.0 3.2 1.0 !
    OR (residue 15 and name HA)   (residue 13 and name HB#)
assign (residue 14 and name HA)   (residue 17 and name HD##) 5.0 3.2 3.0 !
    OR (residue 14 and name HA)   (residue 11 and name HD##)
    OR (residue 15 and name HA)   (residue 17 and name HD##)
    OR (residue 15 and name HA)   (residue 11 and name HD##)
assign (residue  5 and name HD#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
    OR (residue  5 and name HD#)  (residue  6 and name HZ)
assign (residue  7 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
    OR (residue  7 and name HB#)  (residue  6 and name HZ)
    OR (residue  2 and name HB#)  (residue  6 and name HZ)
    OR (residue  2 and name HB#)  (residue  3 and name HD#)
assign (residue  4 and name HB#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
    OR (residue  4 and name HB#)  (residue  6 and name HZ)
assign (residue  9 and name HB#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
    OR (residue  5 and name HB#)  (residue  6 and name HD#) 
    OR (residue  8 and name HB#)  (residue  6 and name HD#) 
assign (residue  2 and name HB#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
    OR (residue  7 and name HD#)  (residue  6 and name HE#) 
assign (residue  6 and name HZ)   (residue  7 and name HN)   5.0 3.2 3.0 !
    OR (residue  3 and name HD#)  (residue  7 and name HN)
assign (residue  5 and name HG#)  (residue  6 and name HN)   5.0 3.2 1.0 !
    OR (residue  4 and name HD#)  (residue  6 and name HN)
assign (residue 16 and name HD#)  (residue 17 and name HD##) 5.0 3.2 4.0 !
    OR (residue  2 and name HD##) (residue  6 and name HB#)
assign (residue 17 and name HD##) (residue 16 and name HB#)  5.0 3.2 4.0 !
    OR (residue 14 and name HD##) (residue 16 and name HB#)
assign (residue  4 and name HD#)  (residue  6 and name HE#)  5.0 3.2 4.0 !
    OR (residue  8 and name HD#)  (residue  6 and name HE#)
    OR (residue  5 and name HG#)  (residue  6 and name HE#)
    OR (residue  9 and name HG#)  (residue  6 and name HE#)
assign (residue  8 and name HD#)  (residue 10 and name HN)   5.0 3.2 1.0 !
    OR (residue  9 and name HG#)  (residue 10 and name HN)
assign (residue  4 and name HD#)  (residue  3 and name HD#)  5.0 3.2 4.0 !
    OR (residue  4 and name HD#)  (residue  6 and name HZ)
    OR (residue  9 and name HG#)  (residue  6 and name HZ)
assign (residue 12 and name HA)   (residue 16 and name HN)   3.4 1.6 0.0 !
    OR (residue 12 and name HA)   (residue 13 and name HN) 
    OR (residue  9 and name HA)   (residue 13 and name HN) 
assign (residue 10 and name HA)   (residue 13 and name HN)   2.8 1.0 0.0 !
    OR (residue 11 and name HA)   (residue 13 and name HN)
assign (residue 10 and name HA)   (residue 13 and name HB#)  3.4 1.6 1.0 !
    OR (residue 11 and name HA)   (residue 13 and name HB#)
assign (residue 11 and name HA)   (residue 12 and name HN)   3.4 1.6 0.0 !
    OR (residue 10 and name HA)   (residue 12 and name HN)
    OR (residue  8 and name HA)   (residue 12 and name HN) 
assign (residue 15 and name HA)   (residue 18 and name HN)   5.0 3.2 0.0 !
    OR (residue 14 and name HA)   (residue 18 and name HN) 
assign (residue  7 and name HA)   (residue  6 and name HZ)   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)   3.4 1.6 0.0 !
    OR (residue 11 and name HA)   (residue 14 and name HN) 
assign (residue 13 and name HA)   (residue 16 and name HB#)  5.0 3.2 1.0 !
    OR (residue 17 and name HA)   (residue 16 and name HB#)
assign (residue  5 and name HB#)  (residue  6 and name HN)   2.8 1.0 1.0 !
    OR (residue  9 and name HB#)  (residue  6 and name HN)
assign (residue  8 and name HA)   (residue 14 and name HD##) 3.4 1.6 3.0 !
    OR (residue 11 and name HA)   (residue 14 and name HD##)
    OR (residue 10 and name HA)   (residue 14 and name HD##)
assign (residue  5 and name HA)   (residue  4 and name HD#)  5.0 3.2 1.0 !
    OR (residue  5 and name HA)   (residue  8 and name HD#) 
assign (residue 10 and name HG)   (residue  9 and name HN)   3.4 1.6 1.0 !
    OR (residue  8 and name HD#)  (residue  9 and name HN)
assign (residue 10 and name HG)   (residue 13 and name HN)   3.4 1.6 1.0 !
    OR (residue  5 and name HG#)  (residue  4 and name HN)
assign (residue 11 and name HA)   (residue 10 and name HG)   5.0 3.2 1.0 !
    OR (residue  8 and name HA)   (residue  5 and name HG#)
assign (residue 15 and name HN)   (residue 13 and name HN)   3.4 1.6 0.0 !
    OR (residue 14 and name HN)   (residue 15 and name HN) 
    OR (residue 16 and name HN)   (residue 15 and name HN) 
assign (residue 14 and name HN)   (residue 16 and name HN)   2.8 1.0 0.0 !
    OR (residue 14 and name HN)   (residue 13 and name HN) 
assign (residue  6 and name HB#)  (residue  7 and name HB#)  5.0 3.2 2.0 !
    OR (residue  6 and name HB#)  (residue  2 and name HB#)
    OR (residue  3 and name HB#)  (residue  2 and name HB#)
assign (residue  6 and name HB#)  (residue  4 and name HD#)  5.0 3.2 2.0 !
    OR (residue  6 and name HB#)  (residue  9 and name HG#)
assign (residue  9 and name HN)   (residue 12 and name HN)   2.8 1.0 0.0 !
    OR (residue  8 and name HN)   (residue  9 and name HN) 
assign (residue  7 and name HB#)  (residue  8 and name HN)   2.8 1.0 1.0 !
    OR (residue 16 and name HG#)  (residue 17 and name HN) 
assign (residue 16 and name HA)   (residue 17 and name HD##) 3.4 1.6 3.0 !
    OR (residue 16 and name HA)   (residue 14 and name HD##)
assign (residue  8 and name HB#)  (residue  6 and name HZ)   5.0 3.2 4.0 !
    OR (residue  8 and name HB#)  (residue  3 and name HD#) 
assign (residue  7 and name HB#)  (residue  6 and name HD#)  5.0 3.2 4.0 !
    OR (residue  2 and name HB#)  (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  5 and name HG#)  (residue  6 and name HD#)
    OR (residue  4 and name HD#)  (residue  6 and name HD#)
assign (residue 10 and name HG)   (residue 11 and name HN)   3.4 1.6 1.0 !
    OR (residue  8 and name HD#)  (residue 11 and name HN)
    OR (residue  9 and name HG#)  (residue 11 and name HN)
assign (residue  8 and name HN)   (residue 10 and name HN)   3.4 1.6 0.0 !
    OR (residue 12 and name HN)   (residue 10 and name HN)
assign (residue 15 and name HA)   (residue 17 and name HN)   5.0 3.2 0.0 !
    OR (residue 15 and name HA)   (residue 12 and name HN) 
    OR (residue 14 and name HA)   (residue 17 and name HN) 
    OR (residue 14 and name HA)   (residue 12 and name HN) 
assign (residue 10 and name HA)   (residue 11 and name HN)   3.4 1.6 0.0 !
    OR (residue  8 and name HA)   (residue 11 and name HN)
assign (residue 11 and name HD##) (residue 15 and name HN)   5.0 3.2 3.0 !
    OR (residue 17 and name HD##) (residue 15 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 15 and name HN)   5.0 3.2 1.0 !
    OR (residue 12 and name HG#)  (residue 15 and name HN)
assign (residue 11 and name HG)   (residue 13 and name HN)   3.4 1.6 1.0 !
    OR (residue 12 and name HG#)  (residue 13 and name HN)
    OR (residue 1 and name HB#)   (residue  4 and name HN)
    OR (residue 12 and name HG#)  (residue 16 and name HN)
assign (residue 11 and name HB#)  (residue 12 and name HN)   5.0 3.2 1.0 !
    OR (residue 12 and name HN)   (residue 14 and name HB#)
assign (residue 14 and name HG)   (residue 16 and name HN)   3.4 1.6 1.0 !
    OR (residue 14 and name HG)   (residue 13 and name HN) 
    OR (residue  5 and name HD#)  (residue  4 and name HN) 
assign (residue 13 and name HA)   (residue 12 and name HB#)  5.0 3.2 1.0 !
    OR (residue  6 and name HA)   (residue  8 and name HB#) 
    OR (residue  6 and name HA)   (residue  9 and name HB#)
assign (residue 16 and name HA)   (residue 17 and name HN)   3.4 1.6 0.0 !
    OR (residue  6 and name HA)   (residue  8 and name HN)
assign (residue 13 and name HA)   (residue 11 and name HG)   5.0 3.2 1.0 !
    OR (residue 13 and name HA)   (residue 15 and name HD#) 
assign (residue  6 and name HA)   (residue  8 and name HD#)  3.4 1.6 1.0 !
    OR (residue  6 and name HA)   (residue  9 and name HG#)
    OR (residue 13 and name HA)   (residue 15 and name HG#) 
assign (residue 13 and name HA)   (residue 18 and name HN)   3.4 1.6 0.0 !
    OR (residue 16 and name HA)   (residue 18 and name HN)
    OR (residue 17 and name HA)   (residue 18 and name HN)
assign (residue 17 and name HN)   (residue 15 and name HN)   5.0 3.2 0.0 !
    OR (residue 12 and name HN)   (residue 15 and name HN) 
assign (residue 12 and name HN)   (residue 14 and name HN)   3.4 1.6 0.0 !
    OR (residue 17 and name HN)   (residue 16 and name HN) 
    OR (residue 17 and name HN)   (residue 14 and name HN) 
assign (residue  2 and name HA)   (residue  4 and name HD#)  5.0 3.2 1.0 !
    OR (residue  2 and name HA)   (residue  5 and name HG#)
    
!===================================================================
!======================== 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
assign (resid 13 and name O) (resid 17 and name HN) 2.2 0.5 0.2
assign (resid 13 and name O) (resid 17 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  -7.612  13.420   0.076
    2    H2   ALA   1           2HT      ALA   1  -6.821  14.551  -0.942
    3    H3   ALA   1           3HT      ALA   1  -6.394  14.441   0.717
    4    HA   ALA   1           HA       ALA   1  -6.044  12.331  -1.303
    5    HB1  ALA   1           1HB      ALA   1  -3.807  12.902  -1.459
    6    HB2  ALA   1           2HB      ALA   1  -3.833  13.831   0.040
    7    HB3  ALA   1           3HB      ALA   1  -4.604  14.474  -1.409
    8    H    LEU   2           H        LEU   2  -5.044  10.466  -0.551
    9    HA   LEU   2           HA       LEU   2  -3.928   9.910   1.873
   10    HB2  LEU   2           2HB      LEU   2  -5.991   8.692   2.927
   11    HB3  LEU   2           1HB      LEU   2  -5.700  10.393   3.245
   12    HG   LEU   2           HG       LEU   2  -7.310  10.287   0.927
   13   HD11  LEU   2          1HD1      LEU   2  -9.308   9.116   1.912
   14   HD12  LEU   2          2HD1      LEU   2  -8.206   8.393   3.083
   15   HD13  LEU   2          3HD1      LEU   2  -8.002   8.065   1.361
   16   HD21  LEU   2          1HD2      LEU   2  -7.476  11.268   3.702
   17   HD22  LEU   2          2HD2      LEU   2  -9.013  11.061   2.862
   18   HD23  LEU   2          3HD2      LEU   2  -7.769  12.108   2.180
   19    H    TYR   3           H        TYR   3  -6.097   8.859  -0.616
   20    HA   TYR   3           HA       TYR   3  -5.988   6.139  -0.384
   21    HB2  TYR   3           2HB      TYR   3  -6.432   6.077  -2.818
   22    HB3  TYR   3           1HB      TYR   3  -7.449   7.240  -1.974
   23    HD1  TYR   3           1HD      TYR   3  -4.219   7.050  -3.835
   24    HD2  TYR   3           2HD      TYR   3  -7.625   9.391  -2.819
   25    HE1  TYR   3           1HE      TYR   3  -3.454   8.816  -5.362
   26    HE2  TYR   3           2HE      TYR   3  -6.870  11.164  -4.348
   27    HH   TYR   3           HH       TYR   3  -4.966  11.943  -5.475
   28    H    LYS   4           H        LYS   4  -3.403   8.215  -0.939
   29    HA   LYS   4           HA       LYS   4  -1.834   6.272  -2.399
   30    HB2  LYS   4           2HB      LYS   4  -0.078   7.984  -2.386
   31    HB3  LYS   4           1HB      LYS   4  -1.601   8.646  -2.968
   32    HG2  LYS   4           2HG      LYS   4  -1.232   8.940  -0.092
   33    HG3  LYS   4           1HG      LYS   4  -0.003   9.762  -1.055
   34    HD2  LYS   4           2HD      LYS   4  -1.695  10.969  -2.273
   35    HD3  LYS   4           1HD      LYS   4  -2.976  10.059  -1.470
   36    HE2  LYS   4           2HE      LYS   4  -3.038  11.652   0.081
   37    HE3  LYS   4           1HE      LYS   4  -1.429  11.142   0.590
   38    HZ1  LYS   4           1HZ      LYS   4  -0.425  12.818  -0.590
   39    HZ2  LYS   4           2HZ      LYS   4  -1.847  13.589  -0.094
   40    HZ3  LYS   4           3HZ      LYS   4  -1.712  13.000  -1.673
   41    H    LYS   5           H        LYS   5  -2.470   7.193   0.825
   42    HA   LYS   5           HA       LYS   5  -0.019   6.143   1.909
   43    HB2  LYS   5           2HB      LYS   5  -0.900   6.670   4.047
   44    HB3  LYS   5           1HB      LYS   5  -1.439   7.965   2.990
   45    HG2  LYS   5           2HG      LYS   5  -3.541   6.297   2.795
   46    HG3  LYS   5           1HG      LYS   5  -2.992   5.920   4.427
   47    HD2  LYS   5           2HD      LYS   5  -3.668   8.659   3.355
   48    HD3  LYS   5           1HD      LYS   5  -4.661   7.697   4.452
   49    HE2  LYS   5           2HE      LYS   5  -3.622   8.929   6.034
   50    HE3  LYS   5           1HE      LYS   5  -2.351   7.726   5.827
   51    HZ1  LYS   5           1HZ      LYS   5  -1.903   9.648   3.896
   52    HZ2  LYS   5           2HZ      LYS   5  -1.006   9.389   5.305
   53    HZ3  LYS   5           3HZ      LYS   5  -2.274  10.508   5.306
   54    H    PHE   6           H        PHE   6  -3.413   5.120   1.547
   55    HA   PHE   6           HA       PHE   6  -2.874   2.585   2.762
   56    HB2  PHE   6           2HB      PHE   6  -5.098   1.925   2.161
   57    HB3  PHE   6           1HB      PHE   6  -5.156   3.585   2.715
   58    HD1  PHE   6           1HD      PHE   6  -4.460   2.067  -0.654
   59    HD2  PHE   6           2HD      PHE   6  -6.866   4.660   1.713
   60    HE1  PHE   6           1HE      PHE   6  -5.716   2.724  -2.656
   61    HE2  PHE   6           2HE      PHE   6  -8.130   5.316  -0.290
   62    HZ   PHE   6           HZ       PHE   6  -7.548   4.361  -2.476
   63    H    LYS   7           H        LYS   7  -2.579   3.935  -0.375
   64    HA   LYS   7           HA       LYS   7  -2.421   1.520  -1.844
   65    HB2  LYS   7           2HB      LYS   7  -2.842   3.579  -3.011
   66    HB3  LYS   7           1HB      LYS   7  -1.365   4.289  -2.381
   67    HG2  LYS   7           2HG      LYS   7  -0.607   1.948  -3.743
   68    HG3  LYS   7           1HG      LYS   7  -1.770   2.786  -4.774
   69    HD2  LYS   7           2HD      LYS   7   0.493   3.533  -5.262
   70    HD3  LYS   7           1HD      LYS   7  -0.455   4.848  -4.562
   71    HE2  LYS   7           2HE      LYS   7   0.580   3.882  -2.314
   72    HE3  LYS   7           1HE      LYS   7   1.834   3.334  -3.425
   73    HZ1  LYS   7           1HZ      LYS   7   2.463   5.456  -3.912
   74    HZ2  LYS   7           2HZ      LYS   7   1.953   5.680  -2.314
   75    HZ3  LYS   7           3HZ      LYS   7   0.938   6.120  -3.594
   76    H    LYS   8           H        LYS   8  -0.222   3.417   0.057
   77    HA   LYS   8           HA       LYS   8   2.194   2.289  -0.776
   78    HB2  LYS   8           2HB      LYS   8   1.287   3.837   1.539
   79    HB3  LYS   8           1HB      LYS   8   2.586   2.716   1.919
   80    HG2  LYS   8           2HG      LYS   8   3.208   4.089  -0.506
   81    HG3  LYS   8           1HG      LYS   8   2.773   5.260   0.741
   82    HD2  LYS   8           2HD      LYS   8   4.395   4.161   2.268
   83    HD3  LYS   8           1HD      LYS   8   4.879   3.106   0.939
   84    HE2  LYS   8           2HE      LYS   8   5.254   6.073   1.212
   85    HE3  LYS   8           1HE      LYS   8   6.477   4.827   0.970
   86    HZ1  LYS   8           1HZ      LYS   8   4.474   5.757  -1.012
   87    HZ2  LYS   8           2HZ      LYS   8   5.507   4.440  -1.254
   88    HZ3  LYS   8           3HZ      LYS   8   6.148   5.994  -1.070
   89    H    LYS   9           H        LYS   9  -0.168   1.410   1.627
   90    HA   LYS   9           HA       LYS   9   1.154  -0.923   2.537
   91    HB2  LYS   9           2HB      LYS   9  -1.775  -0.179   2.606
   92    HB3  LYS   9           1HB      LYS   9  -1.095  -1.575   3.428
   93    HG2  LYS   9           2HG      LYS   9  -0.462  -0.343   5.161
   94    HG3  LYS   9           1HG      LYS   9   0.343   0.829   4.117
   95    HD2  LYS   9           2HD      LYS   9  -1.361   2.276   4.253
   96    HD3  LYS   9           1HD      LYS   9  -2.567   1.011   4.011
   97    HE2  LYS   9           2HE      LYS   9  -1.221   0.939   6.618
   98    HE3  LYS   9           1HE      LYS   9  -2.186   2.387   6.332
   99    HZ1  LYS   9           1HZ      LYS   9  -3.037  -0.346   6.741
  100    HZ2  LYS   9           2HZ      LYS   9  -3.846   0.460   5.494
  101    HZ3  LYS   9           3HZ      LYS   9  -3.852   1.103   7.058
  102    H    LEU  10           H        LEU  10  -0.662  -0.178  -0.282
  103    HA   LEU  10           HA       LEU  10  -1.228  -2.952  -0.897
  104    HB2  LEU  10           2HB      LEU  10  -1.374  -0.585  -2.767
  105    HB3  LEU  10           1HB      LEU  10  -2.134  -2.152  -2.981
  106    HG   LEU  10           HG       LEU  10  -2.839  -0.126  -0.876
  107   HD11  LEU  10          1HD1      LEU  10  -4.854   0.252  -2.090
  108   HD12  LEU  10          2HD1      LEU  10  -4.480  -1.044  -3.226
  109   HD13  LEU  10          3HD1      LEU  10  -3.513   0.430  -3.221
  110   HD21  LEU  10          1HD2      LEU  10  -4.877  -1.878  -0.871
  111   HD22  LEU  10          2HD2      LEU  10  -3.491  -1.988   0.214
  112   HD23  LEU  10          3HD2      LEU  10  -3.539  -2.960  -1.256
  113    H    LEU  11           H        LEU  11   1.425  -0.942  -0.968
  114    HA   LEU  11           HA       LEU  11   2.655  -2.016  -3.333
  115    HB2  LEU  11           2HB      LEU  11   4.016  -0.638  -1.017
  116    HB3  LEU  11           1HB      LEU  11   4.629  -0.818  -2.651
  117    HG   LEU  11           HG       LEU  11   2.241   0.849  -1.857
  118   HD11  LEU  11          1HD1      LEU  11   3.786   2.721  -2.583
  119   HD12  LEU  11          2HD1      LEU  11   5.098   1.545  -2.499
  120   HD13  LEU  11          3HD1      LEU  11   4.176   1.942  -1.049
  121   HD21  LEU  11          1HD2      LEU  11   3.367  -0.006  -4.447
  122   HD22  LEU  11          2HD2      LEU  11   2.945   1.701  -4.312
  123   HD23  LEU  11          3HD2      LEU  11   1.721   0.465  -4.022
  124    H    LYS  12           H        LYS  12   2.944  -2.405   0.164
  125    HA   LYS  12           HA       LYS  12   4.813  -4.545   0.050
  126    HB2  LYS  12           2HB      LYS  12   4.797  -4.272   2.285
  127    HB3  LYS  12           1HB      LYS  12   3.581  -3.026   2.070
  128    HG2  LYS  12           2HG      LYS  12   2.177  -5.455   2.038
  129    HG3  LYS  12           1HG      LYS  12   3.364  -5.601   3.329
  130    HD2  LYS  12           2HD      LYS  12   2.513  -3.183   3.932
  131    HD3  LYS  12           1HD      LYS  12   1.082  -3.706   3.042
  132    HE2  LYS  12           2HE      LYS  12   2.215  -5.525   5.106
  133    HE3  LYS  12           1HE      LYS  12   1.314  -4.107   5.640
  134    HZ1  LYS  12           1HZ      LYS  12  -0.622  -4.958   4.914
  135    HZ2  LYS  12           2HZ      LYS  12   0.181  -6.440   5.058
  136    HZ3  LYS  12           3HZ      LYS  12   0.063  -5.687   3.550
  137    H    SER  13           H        SER  13   1.333  -4.285  -0.143
  138    HA   SER  13           HA       SER  13   0.886  -7.111   0.019
  139    HB2  SER  13           2HB      SER  13  -0.919  -5.688   0.700
  140    HB3  SER  13           1HB      SER  13  -0.864  -4.802  -0.823
  141    HG   SER  13           HG       SER  13  -1.637  -6.616  -1.877
  142    H    LEU  14           H        LEU  14   1.679  -4.833  -2.453
  143    HA   LEU  14           HA       LEU  14   0.765  -6.369  -4.639
  144    HB2  LEU  14           2HB      LEU  14   1.284  -4.452  -5.660
  145    HB3  LEU  14           1HB      LEU  14   2.147  -3.896  -4.241
  146    HG   LEU  14           HG       LEU  14   3.626  -5.759  -6.008
  147   HD11  LEU  14          1HD1      LEU  14   2.363  -4.247  -7.563
  148   HD12  LEU  14          2HD1      LEU  14   4.120  -4.155  -7.685
  149   HD13  LEU  14          3HD1      LEU  14   3.228  -2.893  -6.834
  150   HD21  LEU  14          1HD2      LEU  14   4.251  -3.262  -4.455
  151   HD22  LEU  14          2HD2      LEU  14   5.405  -4.017  -5.553
  152   HD23  LEU  14          3HD2      LEU  14   4.809  -4.908  -4.154
  153    H    LYS  15           H        LYS  15   3.596  -6.432  -2.631
  154    HA   LYS  15           HA       LYS  15   5.073  -8.174  -4.376
  155    HB2  LYS  15           2HB      LYS  15   6.250  -6.623  -2.904
  156    HB3  LYS  15           1HB      LYS  15   5.545  -7.400  -1.494
  157    HG2  LYS  15           2HG      LYS  15   7.170  -9.027  -3.393
  158    HG3  LYS  15           1HG      LYS  15   7.978  -7.964  -2.241
  159    HD2  LYS  15           2HD      LYS  15   6.420  -9.106  -0.497
  160    HD3  LYS  15           1HD      LYS  15   6.263 -10.362  -1.725
  161    HE2  LYS  15           2HE      LYS  15   8.768  -9.416  -0.354
  162    HE3  LYS  15           1HE      LYS  15   8.032 -11.017  -0.280
  163    HZ1  LYS  15           1HZ      LYS  15   9.473 -11.524  -1.886
  164    HZ2  LYS  15           2HZ      LYS  15   9.808  -9.906  -2.251
  165    HZ3  LYS  15           3HZ      LYS  15   8.455 -10.663  -2.929
  166    H    ARG  16           H        ARG  16   4.225  -8.748  -0.977
  167    HA   ARG  16           HA       ARG  16   4.024 -11.587  -1.539
  168    HB2  ARG  16           2HB      ARG  16   5.340 -10.800   0.389
  169    HB3  ARG  16           1HB      ARG  16   3.882 -10.121   1.100
  170    HG2  ARG  16           2HG      ARG  16   4.766 -12.446   1.877
  171    HG3  ARG  16           1HG      ARG  16   3.033 -12.175   1.674
  172    HD2  ARG  16           2HD      ARG  16   3.242 -13.118  -0.630
  173    HD3  ARG  16           1HD      ARG  16   4.907 -13.541  -0.248
  174    HE   ARG  16           HE       ARG  16   3.248 -14.619   1.728
  175   HH11  ARG  16          1HH1      ARG  16   3.920 -15.007  -1.673
  176   HH12  ARG  16          2HH1      ARG  16   3.500 -16.686  -1.694
  177   HH21  ARG  16          1HH2      ARG  16   2.701 -16.833   1.707
  178   HH22  ARG  16          2HH2      ARG  16   2.808 -17.726   0.226
  179    H    LEU  17           H        LEU  17   1.813  -9.192  -1.767
  180    HA   LEU  17           HA       LEU  17  -0.476  -9.305  -1.996
  181    HB2  LEU  17           2HB      LEU  17  -1.508 -11.291  -2.199
  182    HB3  LEU  17           1HB      LEU  17   0.115 -11.944  -2.118
  183    HG   LEU  17           HG       LEU  17  -0.499 -11.915   0.515
  184   HD11  LEU  17          1HD1      LEU  17  -2.688 -12.074   1.004
  185   HD12  LEU  17          2HD1      LEU  17  -3.065 -12.942  -0.485
  186   HD13  LEU  17          3HD1      LEU  17  -2.892 -11.188  -0.509
  187   HD21  LEU  17          1HD2      LEU  17   0.293 -13.917  -0.211
  188   HD22  LEU  17          2HD2      LEU  17  -0.731 -13.928  -1.647
  189   HD23  LEU  17          3HD2      LEU  17  -1.412 -14.342  -0.073
  190    H    GLY  18           H        GLY  18   1.322  -8.788   0.424
  191    HA2  GLY  18           2HA      GLY  18   0.761  -7.502   2.316
  192    HA3  GLY  18           1HA      GLY  18  -0.883  -8.117   2.225
  Start of MODEL    2
    1    H1   ALA   1           1HT      ALA   1  -7.399  13.622   0.557
    2    H2   ALA   1           2HT      ALA   1  -6.961  14.704  -0.701
    3    H3   ALA   1           3HT      ALA   1  -6.199  14.815   0.833
    4    HA   ALA   1           HA       ALA   1  -5.987  12.637  -1.132
    5    HB1  ALA   1           1HB      ALA   1  -4.071  13.563  -1.793
    6    HB2  ALA   1           2HB      ALA   1  -3.572  13.929  -0.142
    7    HB3  ALA   1           3HB      ALA   1  -4.653  15.026  -1.001
    8    H    LEU   2           H        LEU   2  -4.933  10.763  -0.490
    9    HA   LEU   2           HA       LEU   2  -3.464  10.237   1.741
   10    HB2  LEU   2           2HB      LEU   2  -5.381   9.066   3.112
   11    HB3  LEU   2           1HB      LEU   2  -4.943  10.739   3.398
   12    HG   LEU   2           HG       LEU   2  -6.945  10.807   1.413
   13   HD11  LEU   2          1HD1      LEU   2  -7.814   9.061   3.700
   14   HD12  LEU   2          2HD1      LEU   2  -7.436   8.463   2.086
   15   HD13  LEU   2          3HD1      LEU   2  -8.775   9.586   2.316
   16   HD21  LEU   2          1HD2      LEU   2  -7.731  12.403   2.761
   17   HD22  LEU   2          2HD2      LEU   2  -6.334  12.071   3.785
   18   HD23  LEU   2          3HD2      LEU   2  -7.882  11.295   4.123
   19    H    TYR   3           H        TYR   3  -6.033   9.228  -0.309
   20    HA   TYR   3           HA       TYR   3  -6.147   6.529  -0.136
   21    HB2  TYR   3           2HB      TYR   3  -6.842   8.498  -2.020
   22    HB3  TYR   3           1HB      TYR   3  -5.948   7.269  -2.910
   23    HD1  TYR   3           2HD      TYR   3  -6.661   4.779  -2.195
   24    HD2  TYR   3           1HD      TYR   3  -9.093   8.246  -1.920
   25    HE1  TYR   3           2HE      TYR   3  -8.657   3.368  -2.244
   26    HE2  TYR   3           1HE      TYR   3 -11.102   6.857  -1.963
   27    HH   TYR   3           HH       TYR   3 -11.682   4.418  -1.365
   28    H    LYS   4           H        LYS   4  -3.505   8.424  -1.231
   29    HA   LYS   4           HA       LYS   4  -2.215   6.318  -2.645
   30    HB2  LYS   4           2HB      LYS   4  -0.294   7.935  -2.690
   31    HB3  LYS   4           1HB      LYS   4  -1.810   8.509  -3.374
   32    HG2  LYS   4           2HG      LYS   4  -1.622   9.178  -0.584
   33    HG3  LYS   4           1HG      LYS   4  -0.249   9.806  -1.504
   34    HD2  LYS   4           2HD      LYS   4  -1.571  11.111  -2.856
   35    HD3  LYS   4           1HD      LYS   4  -2.992  10.086  -2.633
   36    HE2  LYS   4           2HE      LYS   4  -3.649  11.777  -1.316
   37    HE3  LYS   4           1HE      LYS   4  -2.662  10.936  -0.124
   38    HZ1  LYS   4           1HZ      LYS   4  -0.790  12.429  -1.126
   39    HZ2  LYS   4           2HZ      LYS   4  -1.839  13.050   0.044
   40    HZ3  LYS   4           3HZ      LYS   4  -2.086  13.414  -1.588
   41    H    LYS   5           H        LYS   5  -2.240   7.399   0.646
   42    HA   LYS   5           HA       LYS   5   0.176   6.034   1.378
   43    HB2  LYS   5           2HB      LYS   5  -0.349   6.555   3.638
   44    HB3  LYS   5           1HB      LYS   5  -0.809   7.953   2.685
   45    HG2  LYS   5           2HG      LYS   5  -3.132   6.495   2.784
   46    HG3  LYS   5           1HG      LYS   5  -2.423   6.224   4.375
   47    HD2  LYS   5           2HD      LYS   5  -2.017   8.858   4.171
   48    HD3  LYS   5           1HD      LYS   5  -3.443   8.715   3.149
   49    HE2  LYS   5           2HE      LYS   5  -4.802   8.183   4.882
   50    HE3  LYS   5           1HE      LYS   5  -3.539   7.296   5.735
   51    HZ1  LYS   5           1HZ      LYS   5  -3.342  10.221   5.520
   52    HZ2  LYS   5           2HZ      LYS   5  -2.756   9.191   6.727
   53    HZ3  LYS   5           3HZ      LYS   5  -4.407   9.550   6.654
   54    H    PHE   6           H        PHE   6  -3.273   5.350   1.311
   55    HA   PHE   6           HA       PHE   6  -3.095   2.836   2.609
   56    HB2  PHE   6           2HB      PHE   6  -5.098   3.461   0.444
   57    HB3  PHE   6           1HB      PHE   6  -5.293   2.389   1.824
   58    HD1  PHE   6           1HD      PHE   6  -4.084   4.375   3.862
   59    HD2  PHE   6           2HD      PHE   6  -7.048   4.736   0.831
   60    HE1  PHE   6           1HE      PHE   6  -5.144   6.208   5.119
   61    HE2  PHE   6           2HE      PHE   6  -8.105   6.571   2.077
   62    HZ   PHE   6           HZ       PHE   6  -7.149   7.313   4.219
   63    H    LYS   7           H        LYS   7  -2.497   3.960  -0.600
   64    HA   LYS   7           HA       LYS   7  -2.358   1.445  -1.894
   65    HB2  LYS   7           2HB      LYS   7  -1.667   4.244  -2.533
   66    HB3  LYS   7           1HB      LYS   7  -0.694   3.034  -3.358
   67    HG2  LYS   7           2HG      LYS   7  -2.668   3.790  -4.646
   68    HG3  LYS   7           1HG      LYS   7  -2.635   2.051  -4.352
   69    HD2  LYS   7           2HD      LYS   7  -4.013   3.372  -2.211
   70    HD3  LYS   7           1HD      LYS   7  -4.701   3.866  -3.758
   71    HE2  LYS   7           2HE      LYS   7  -5.314   1.700  -4.320
   72    HE3  LYS   7           1HE      LYS   7  -4.162   0.980  -3.196
   73    HZ1  LYS   7           1HZ      LYS   7  -6.543   2.522  -2.329
   74    HZ2  LYS   7           2HZ      LYS   7  -5.523   1.582  -1.364
   75    HZ3  LYS   7           3HZ      LYS   7  -6.532   0.836  -2.496
   76    H    LYS   8           H        LYS   8  -0.224   3.338   0.058
   77    HA   LYS   8           HA       LYS   8   2.240   2.207  -0.587
   78    HB2  LYS   8           2HB      LYS   8   1.144   3.621   1.769
   79    HB3  LYS   8           1HB      LYS   8   2.599   2.678   2.028
   80    HG2  LYS   8           2HG      LYS   8   2.770   5.182   1.417
   81    HG3  LYS   8           1HG      LYS   8   3.875   4.024   0.672
   82    HD2  LYS   8           2HD      LYS   8   3.018   4.359  -1.384
   83    HD3  LYS   8           1HD      LYS   8   1.362   4.412  -0.781
   84    HE2  LYS   8           2HE      LYS   8   1.727   6.711  -0.002
   85    HE3  LYS   8           1HE      LYS   8   3.372   6.659  -0.631
   86    HZ1  LYS   8           1HZ      LYS   8   1.028   6.189  -2.371
   87    HZ2  LYS   8           2HZ      LYS   8   2.603   6.605  -2.821
   88    HZ3  LYS   8           3HZ      LYS   8   1.610   7.749  -2.070
   89    H    LYS   9           H        LYS   9  -0.155   1.341   1.788
   90    HA   LYS   9           HA       LYS   9   1.178  -0.964   2.751
   91    HB2  LYS   9           2HB      LYS   9  -1.808  -0.562   2.776
   92    HB3  LYS   9           1HB      LYS   9  -0.836  -1.486   3.912
   93    HG2  LYS   9           2HG      LYS   9  -0.376   0.304   5.162
   94    HG3  LYS   9           1HG      LYS   9  -0.095   1.333   3.757
   95    HD2  LYS   9           2HD      LYS   9  -1.978   2.320   4.603
   96    HD3  LYS   9           1HD      LYS   9  -2.714   1.138   3.517
   97    HE2  LYS   9           2HE      LYS   9  -2.186   0.576   6.425
   98    HE3  LYS   9           1HE      LYS   9  -3.692   1.293   5.849
   99    HZ1  LYS   9           1HZ      LYS   9  -3.427  -0.831   4.228
  100    HZ2  LYS   9           2HZ      LYS   9  -4.336  -0.827   5.654
  101    HZ3  LYS   9           3HZ      LYS   9  -2.757  -1.433   5.660
  102    H    LEU  10           H        LEU  10  -0.715  -0.282  -0.015
  103    HA   LEU  10           HA       LEU  10  -1.281  -3.052  -0.602
  104    HB2  LEU  10           2HB      LEU  10  -1.880  -0.432  -1.841
  105    HB3  LEU  10           1HB      LEU  10  -1.723  -1.781  -2.951
  106    HG   LEU  10           HG       LEU  10  -3.343  -2.823  -1.009
  107   HD11  LEU  10          1HD1      LEU  10  -3.995   0.093  -1.344
  108   HD12  LEU  10          2HD1      LEU  10  -3.665  -0.776   0.154
  109   HD13  LEU  10          3HD1      LEU  10  -5.144  -1.105  -0.748
  110   HD21  LEU  10          1HD2      LEU  10  -5.194  -2.181  -2.722
  111   HD22  LEU  10          2HD2      LEU  10  -3.897  -3.275  -3.204
  112   HD23  LEU  10          3HD2      LEU  10  -3.840  -1.578  -3.678
  113    H    LEU  11           H        LEU  11   1.381  -1.052  -0.770
  114    HA   LEU  11           HA       LEU  11   2.543  -2.154  -3.170
  115    HB2  LEU  11           2HB      LEU  11   4.047  -0.842  -0.913
  116    HB3  LEU  11           1HB      LEU  11   4.524  -0.971  -2.598
  117    HG   LEU  11           HG       LEU  11   2.210   0.685  -1.594
  118   HD11  LEU  11          1HD1      LEU  11   5.055   1.399  -2.276
  119   HD12  LEU  11          2HD1      LEU  11   4.193   1.693  -0.767
  120   HD13  LEU  11          3HD1      LEU  11   3.759   2.592  -2.222
  121   HD21  LEU  11          1HD2      LEU  11   3.321   0.062  -4.279
  122   HD22  LEU  11          2HD2      LEU  11   2.798   1.718  -3.978
  123   HD23  LEU  11          3HD2      LEU  11   1.658   0.385  -3.787
  124    H    LYS  12           H        LYS  12   2.849  -2.523   0.316
  125    HA   LYS  12           HA       LYS  12   4.755  -4.622   0.234
  126    HB2  LYS  12           2HB      LYS  12   4.754  -4.127   2.424
  127    HB3  LYS  12           1HB      LYS  12   3.302  -3.164   2.230
  128    HG2  LYS  12           2HG      LYS  12   3.074  -6.126   2.508
  129    HG3  LYS  12           1HG      LYS  12   3.373  -5.128   3.928
  130    HD2  LYS  12           2HD      LYS  12   1.374  -3.801   3.413
  131    HD3  LYS  12           1HD      LYS  12   1.066  -4.820   2.008
  132    HE2  LYS  12           2HE      LYS  12   1.098  -6.767   3.699
  133    HE3  LYS  12           1HE      LYS  12   0.888  -5.508   4.917
  134    HZ1  LYS  12           1HZ      LYS  12  -1.105  -4.776   3.690
  135    HZ2  LYS  12           2HZ      LYS  12  -1.246  -6.352   4.283
  136    HZ3  LYS  12           3HZ      LYS  12  -0.931  -6.092   2.644
  137    H    SER  13           H        SER  13   1.280  -4.485  -0.061
  138    HA   SER  13           HA       SER  13   1.004  -7.375   0.080
  139    HB2  SER  13           2HB      SER  13  -1.330  -7.017  -0.134
  140    HB3  SER  13           1HB      SER  13  -0.771  -5.638   0.813
  141    HG   SER  13           HG       SER  13  -1.397  -5.709  -1.948
  142    H    LEU  14           H        LEU  14   1.664  -4.943  -2.247
  143    HA   LEU  14           HA       LEU  14   0.738  -6.351  -4.536
  144    HB2  LEU  14           2HB      LEU  14   1.093  -4.306  -5.368
  145    HB3  LEU  14           1HB      LEU  14   2.025  -3.844  -3.962
  146    HG   LEU  14           HG       LEU  14   3.502  -5.480  -5.925
  147   HD11  LEU  14          1HD1      LEU  14   2.181  -4.163  -7.469
  148   HD12  LEU  14          2HD1      LEU  14   3.848  -3.588  -7.453
  149   HD13  LEU  14          3HD1      LEU  14   2.596  -2.687  -6.598
  150   HD21  LEU  14          1HD2      LEU  14   3.982  -3.049  -4.239
  151   HD22  LEU  14          2HD2      LEU  14   5.116  -3.527  -5.505
  152   HD23  LEU  14          3HD2      LEU  14   4.768  -4.624  -4.167
  153    H    LYS  15           H        LYS  15   3.639  -6.317  -2.608
  154    HA   LYS  15           HA       LYS  15   5.219  -7.813  -4.474
  155    HB2  LYS  15           2HB      LYS  15   6.318  -6.354  -2.881
  156    HB3  LYS  15           1HB      LYS  15   5.599  -7.225  -1.532
  157    HG2  LYS  15           2HG      LYS  15   7.300  -8.735  -3.449
  158    HG3  LYS  15           1HG      LYS  15   8.078  -7.666  -2.278
  159    HD2  LYS  15           2HD      LYS  15   6.474  -8.905  -0.593
  160    HD3  LYS  15           1HD      LYS  15   6.504 -10.158  -1.836
  161    HE2  LYS  15           2HE      LYS  15   8.974  -8.936  -0.610
  162    HE3  LYS  15           1HE      LYS  15   8.225 -10.426  -0.042
  163    HZ1  LYS  15           1HZ      LYS  15   8.649 -11.461  -2.133
  164    HZ2  LYS  15           2HZ      LYS  15  10.098 -10.772  -1.600
  165    HZ3  LYS  15           3HZ      LYS  15   9.199 -10.013  -2.814
  166    H    ARG  16           H        ARG  16   4.114  -8.687  -1.186
  167    HA   ARG  16           HA       ARG  16   4.308 -11.485  -1.924
  168    HB2  ARG  16           2HB      ARG  16   5.237 -10.599   0.220
  169    HB3  ARG  16           1HB      ARG  16   3.585 -10.354   0.771
  170    HG2  ARG  16           2HG      ARG  16   4.916 -12.537   1.383
  171    HG3  ARG  16           1HG      ARG  16   3.188 -12.594   1.027
  172    HD2  ARG  16           2HD      ARG  16   3.699 -13.208  -1.289
  173    HD3  ARG  16           1HD      ARG  16   5.419 -13.178  -0.915
  174    HE   ARG  16           HE       ARG  16   4.458 -14.953   0.872
  175   HH11  ARG  16          1HH1      ARG  16   4.090 -14.640  -2.586
  176   HH12  ARG  16          2HH1      ARG  16   3.897 -16.341  -2.848
  177   HH21  ARG  16          1HH2      ARG  16   4.210 -17.201   0.526
  178   HH22  ARG  16          2HH2      ARG  16   3.964 -17.793  -1.083
  179    H    LEU  17           H        LEU  17   1.872  -9.329  -2.264
  180    HA   LEU  17           HA       LEU  17  -0.327  -9.669  -2.843
  181    HB2  LEU  17           2HB      LEU  17  -1.092 -11.729  -3.333
  182    HB3  LEU  17           1HB      LEU  17   0.587 -12.172  -3.125
  183    HG   LEU  17           HG       LEU  17  -0.318 -12.518  -0.588
  184   HD11  LEU  17          1HD1      LEU  17  -2.500 -13.037  -0.419
  185   HD12  LEU  17          2HD1      LEU  17  -2.546 -13.802  -2.009
  186   HD13  LEU  17          3HD1      LEU  17  -2.660 -12.048  -1.871
  187   HD21  LEU  17          1HD2      LEU  17   0.230 -14.667  -0.959
  188   HD22  LEU  17          2HD2      LEU  17   0.768 -14.060  -2.525
  189   HD23  LEU  17          3HD2      LEU  17  -0.824 -14.808  -2.367
  190    H    GLY  18           H        GLY  18   0.951  -9.189  -0.070
  191    HA2  GLY  18           2HA      GLY  18  -0.271  -8.094   1.673
  192    HA3  GLY  18           1HA      GLY  18  -1.619  -9.177   1.361
  Start of MODEL    3
    1    H1   ALA   1           1HT      ALA   1  -6.500  11.605  -1.449
    2    H2   ALA   1           2HT      ALA   1  -4.907  11.841  -2.041
    3    H3   ALA   1           3HT      ALA   1  -6.122  13.008  -2.361
    4    HA   ALA   1           HA       ALA   1  -4.486  13.560  -0.601
    5    HB1  ALA   1           1HB      ALA   1  -6.784  14.564  -0.972
    6    HB2  ALA   1           2HB      ALA   1  -6.099  14.734   0.644
    7    HB3  ALA   1           3HB      ALA   1  -7.339  13.518   0.334
    8    H    LEU   2           H        LEU   2  -4.957  10.524  -0.543
    9    HA   LEU   2           HA       LEU   2  -3.806   9.932   1.863
   10    HB2  LEU   2           2HB      LEU   2  -5.952   8.792   2.890
   11    HB3  LEU   2           1HB      LEU   2  -5.484  10.433   3.301
   12    HG   LEU   2           HG       LEU   2  -7.155  10.598   1.012
   13   HD11  LEU   2          1HD1      LEU   2  -8.723   9.243   3.133
   14   HD12  LEU   2          2HD1      LEU   2  -7.772   8.238   2.039
   15   HD13  LEU   2          3HD1      LEU   2  -8.999   9.328   1.392
   16   HD21  LEU   2          1HD2      LEU   2  -7.588  12.401   2.240
   17   HD22  LEU   2          2HD2      LEU   2  -6.968  11.640   3.705
   18   HD23  LEU   2          3HD2      LEU   2  -8.643  11.382   3.222
   19    H    TYR   3           H        TYR   3  -6.144   8.937  -0.511
   20    HA   TYR   3           HA       TYR   3  -6.113   6.216  -0.237
   21    HB2  TYR   3           2HB      TYR   3  -6.574   6.106  -2.679
   22    HB3  TYR   3           1HB      TYR   3  -7.576   7.284  -1.837
   23    HD1  TYR   3           1HD      TYR   3  -4.325   7.098  -3.677
   24    HD2  TYR   3           2HD      TYR   3  -7.806   9.377  -2.779
   25    HE1  TYR   3           1HE      TYR   3  -3.592   8.833  -5.261
   26    HE2  TYR   3           2HE      TYR   3  -7.080  11.118  -4.359
   27    HH   TYR   3           HH       TYR   3  -4.815  11.892  -5.334
   28    H    LYS   4           H        LYS   4  -3.578   8.287  -1.191
   29    HA   LYS   4           HA       LYS   4  -2.038   6.293  -2.541
   30    HB2  LYS   4           2HB      LYS   4  -0.217   8.015  -2.402
   31    HB3  LYS   4           1HB      LYS   4  -1.687   8.571  -3.185
   32    HG2  LYS   4           2HG      LYS   4  -1.819   9.114  -0.375
   33    HG3  LYS   4           1HG      LYS   4  -0.324   9.765  -1.053
   34    HD2  LYS   4           2HD      LYS   4  -1.644  10.889  -2.808
   35    HD3  LYS   4           1HD      LYS   4  -3.123  10.280  -2.064
   36    HE2  LYS   4           2HE      LYS   4  -2.952  11.684  -0.250
   37    HE3  LYS   4           1HE      LYS   4  -1.199  11.828  -0.396
   38    HZ1  LYS   4           1HZ      LYS   4  -1.585  13.147  -2.442
   39    HZ2  LYS   4           2HZ      LYS   4  -2.183  13.883  -1.042
   40    HZ3  LYS   4           3HZ      LYS   4  -3.245  13.119  -2.114
   41    H    LYS   5           H        LYS   5  -2.466   7.332   0.723
   42    HA   LYS   5           HA       LYS   5  -0.031   6.192   1.703
   43    HB2  LYS   5           2HB      LYS   5  -0.765   6.750   3.864
   44    HB3  LYS   5           1HB      LYS   5  -1.404   8.025   2.842
   45    HG2  LYS   5           2HG      LYS   5  -3.439   6.159   2.897
   46    HG3  LYS   5           1HG      LYS   5  -2.790   6.126   4.533
   47    HD2  LYS   5           2HD      LYS   5  -3.353   8.731   3.185
   48    HD3  LYS   5           1HD      LYS   5  -4.667   7.814   3.922
   49    HE2  LYS   5           2HE      LYS   5  -4.045   8.406   5.981
   50    HE3  LYS   5           1HE      LYS   5  -2.356   8.013   5.666
   51    HZ1  LYS   5           1HZ      LYS   5  -3.282  10.492   6.073
   52    HZ2  LYS   5           2HZ      LYS   5  -3.299  10.427   4.384
   53    HZ3  LYS   5           3HZ      LYS   5  -1.861  10.138   5.227
   54    H    PHE   6           H        PHE   6  -3.418   5.170   1.402
   55    HA   PHE   6           HA       PHE   6  -2.819   2.665   2.637
   56    HB2  PHE   6           2HB      PHE   6  -5.050   1.942   2.082
   57    HB3  PHE   6           1HB      PHE   6  -5.100   3.567   2.732
   58    HD1  PHE   6           1HD      PHE   6  -4.498   2.399  -0.789
   59    HD2  PHE   6           2HD      PHE   6  -6.988   4.505   1.946
   60    HE1  PHE   6           1HE      PHE   6  -5.943   3.112  -2.645
   61    HE2  PHE   6           2HE      PHE   6  -8.427   5.223   0.090
   62    HZ   PHE   6           HZ       PHE   6  -7.901   4.530  -2.207
   63    H    LYS   7           H        LYS   7  -2.365   3.991  -0.437
   64    HA   LYS   7           HA       LYS   7  -2.304   1.539  -1.909
   65    HB2  LYS   7           2HB      LYS   7  -2.095   4.300  -2.515
   66    HB3  LYS   7           1HB      LYS   7  -0.603   3.548  -3.063
   67    HG2  LYS   7           2HG      LYS   7  -2.273   3.622  -4.833
   68    HG3  LYS   7           1HG      LYS   7  -1.871   1.960  -4.398
   69    HD2  LYS   7           2HD      LYS   7  -4.083   3.022  -2.844
   70    HD3  LYS   7           1HD      LYS   7  -4.408   3.040  -4.577
   71    HE2  LYS   7           2HE      LYS   7  -4.100   0.713  -4.762
   72    HE3  LYS   7           1HE      LYS   7  -3.332   0.605  -3.182
   73    HZ1  LYS   7           1HZ      LYS   7  -5.658  -0.203  -3.242
   74    HZ2  LYS   7           2HZ      LYS   7  -6.168   1.371  -3.592
   75    HZ3  LYS   7           3HZ      LYS   7  -5.405   1.040  -2.120
   76    H    LYS   8           H        LYS   8  -0.139   3.404   0.042
   77    HA   LYS   8           HA       LYS   8   2.324   2.283  -0.689
   78    HB2  LYS   8           2HB      LYS   8   1.236   3.690   1.678
   79    HB3  LYS   8           1HB      LYS   8   2.686   2.735   1.945
   80    HG2  LYS   8           2HG      LYS   8   3.107   5.120   1.453
   81    HG3  LYS   8           1HG      LYS   8   3.897   4.009   0.331
   82    HD2  LYS   8           2HD      LYS   8   1.517   4.424  -0.908
   83    HD3  LYS   8           1HD      LYS   8   1.780   5.987  -0.138
   84    HE2  LYS   8           2HE      LYS   8   4.049   6.040  -1.158
   85    HE3  LYS   8           1HE      LYS   8   3.648   4.558  -2.028
   86    HZ1  LYS   8           1HZ      LYS   8   2.802   7.282  -2.522
   87    HZ2  LYS   8           2HZ      LYS   8   1.573   6.127  -2.657
   88    HZ3  LYS   8           3HZ      LYS   8   2.971   5.989  -3.599
   89    H    LYS   9           H        LYS   9   0.002   1.492   1.777
   90    HA   LYS   9           HA       LYS   9   1.282  -0.853   2.691
   91    HB2  LYS   9           2HB      LYS   9  -1.693  -0.331   2.785
   92    HB3  LYS   9           1HB      LYS   9  -0.752  -1.351   3.867
   93    HG2  LYS   9           2HG      LYS   9  -0.091   0.376   5.141
   94    HG3  LYS   9           1HG      LYS   9   0.087   1.463   3.762
   95    HD2  LYS   9           2HD      LYS   9  -1.732   2.449   4.672
   96    HD3  LYS   9           1HD      LYS   9  -2.583   1.186   3.782
   97    HE2  LYS   9           2HE      LYS   9  -1.662   0.306   6.400
   98    HE3  LYS   9           1HE      LYS   9  -2.773   1.673   6.490
   99    HZ1  LYS   9           1HZ      LYS   9  -3.608  -0.818   6.380
  100    HZ2  LYS   9           2HZ      LYS   9  -3.507  -0.526   4.717
  101    HZ3  LYS   9           3HZ      LYS   9  -4.484   0.454   5.688
  102    H    LEU  10           H        LEU  10  -0.595  -0.145  -0.080
  103    HA   LEU  10           HA       LEU  10  -1.233  -2.910  -0.637
  104    HB2  LEU  10           2HB      LEU  10  -2.703  -1.054  -1.392
  105    HB3  LEU  10           1HB      LEU  10  -1.411  -0.479  -2.428
  106    HG   LEU  10           HG       LEU  10  -2.209  -3.290  -2.841
  107   HD11  LEU  10          1HD1      LEU  10  -4.288  -1.598  -2.477
  108   HD12  LEU  10          2HD1      LEU  10  -4.315  -2.990  -3.558
  109   HD13  LEU  10          3HD1      LEU  10  -3.980  -1.381  -4.201
  110   HD21  LEU  10          1HD2      LEU  10  -2.217  -2.097  -5.249
  111   HD22  LEU  10          2HD2      LEU  10  -0.758  -2.710  -4.471
  112   HD23  LEU  10          3HD2      LEU  10  -1.159  -0.996  -4.368
  113    H    LEU  11           H        LEU  11   1.466  -0.944  -0.837
  114    HA   LEU  11           HA       LEU  11   2.626  -2.068  -3.217
  115    HB2  LEU  11           2HB      LEU  11   4.075  -0.763  -0.913
  116    HB3  LEU  11           1HB      LEU  11   4.644  -0.943  -2.563
  117    HG   LEU  11           HG       LEU  11   2.324   0.788  -1.713
  118   HD11  LEU  11          1HD1      LEU  11   5.210   1.395  -2.299
  119   HD12  LEU  11          2HD1      LEU  11   4.257   1.839  -0.882
  120   HD13  LEU  11          3HD1      LEU  11   3.948   2.618  -2.433
  121   HD21  LEU  11          1HD2      LEU  11   2.667  -0.309  -4.146
  122   HD22  LEU  11          2HD2      LEU  11   3.652   1.143  -4.322
  123   HD23  LEU  11          3HD2      LEU  11   1.948   1.280  -3.885
  124    H    LYS  12           H        LYS  12   2.963  -2.467   0.269
  125    HA   LYS  12           HA       LYS  12   4.788  -4.631   0.152
  126    HB2  LYS  12           2HB      LYS  12   4.801  -4.131   2.347
  127    HB3  LYS  12           1HB      LYS  12   3.342  -3.172   2.174
  128    HG2  LYS  12           2HG      LYS  12   3.061  -6.128   2.363
  129    HG3  LYS  12           1HG      LYS  12   3.473  -5.221   3.816
  130    HD2  LYS  12           2HD      LYS  12   1.501  -3.818   3.517
  131    HD3  LYS  12           1HD      LYS  12   1.099  -4.685   2.033
  132    HE2  LYS  12           2HE      LYS  12   1.250  -6.770   3.679
  133    HE3  LYS  12           1HE      LYS  12   0.838  -5.532   4.866
  134    HZ1  LYS  12           1HZ      LYS  12  -1.214  -5.211   3.957
  135    HZ2  LYS  12           2HZ      LYS  12  -1.008  -6.850   3.596
  136    HZ3  LYS  12           3HZ      LYS  12  -0.740  -5.681   2.402
  137    H    SER  13           H        SER  13   1.324  -4.345  -0.117
  138    HA   SER  13           HA       SER  13   0.847  -7.182   0.023
  139    HB2  SER  13           2HB      SER  13  -1.425  -6.654  -0.307
  140    HB3  SER  13           1HB      SER  13  -0.811  -5.235   0.543
  141    HG   SER  13           HG       SER  13  -1.364  -5.526  -2.216
  142    H    LEU  14           H        LEU  14   1.714  -4.867  -2.401
  143    HA   LEU  14           HA       LEU  14   0.819  -6.365  -4.637
  144    HB2  LEU  14           2HB      LEU  14   1.303  -4.421  -5.607
  145    HB3  LEU  14           1HB      LEU  14   2.136  -3.877  -4.168
  146    HG   LEU  14           HG       LEU  14   3.710  -5.655  -5.926
  147   HD11  LEU  14          1HD1      LEU  14   2.522  -4.360  -7.605
  148   HD12  LEU  14          2HD1      LEU  14   4.218  -3.883  -7.523
  149   HD13  LEU  14          3HD1      LEU  14   2.976  -2.865  -6.791
  150   HD21  LEU  14          1HD2      LEU  14   4.142  -3.173  -4.308
  151   HD22  LEU  14          2HD2      LEU  14   5.338  -3.708  -5.489
  152   HD23  LEU  14          3HD2      LEU  14   4.897  -4.757  -4.141
  153    H    LYS  15           H        LYS  15   3.624  -6.454  -2.593
  154    HA   LYS  15           HA       LYS  15   5.192  -8.067  -4.378
  155    HB2  LYS  15           2HB      LYS  15   6.262  -6.596  -2.741
  156    HB3  LYS  15           1HB      LYS  15   5.512  -7.497  -1.430
  157    HG2  LYS  15           2HG      LYS  15   7.195  -9.009  -3.349
  158    HG3  LYS  15           1HG      LYS  15   8.004  -7.947  -2.192
  159    HD2  LYS  15           2HD      LYS  15   6.364  -9.157  -0.496
  160    HD3  LYS  15           1HD      LYS  15   6.418 -10.422  -1.727
  161    HE2  LYS  15           2HE      LYS  15   8.750  -9.231  -0.228
  162    HE3  LYS  15           1HE      LYS  15   8.121 -10.874  -0.095
  163    HZ1  LYS  15           1HZ      LYS  15   9.553 -11.446  -1.669
  164    HZ2  LYS  15           2HZ      LYS  15  10.017  -9.839  -1.924
  165    HZ3  LYS  15           3HZ      LYS  15   8.702 -10.481  -2.770
  166    H    ARG  16           H        ARG  16   4.033  -8.803  -1.089
  167    HA   ARG  16           HA       ARG  16   4.032 -11.626  -1.762
  168    HB2  ARG  16           2HB      ARG  16   5.076 -10.919   0.320
  169    HB3  ARG  16           1HB      ARG  16   3.558 -10.225   0.867
  170    HG2  ARG  16           2HG      ARG  16   4.333 -12.557   1.723
  171    HG3  ARG  16           1HG      ARG  16   2.635 -12.263   1.350
  172    HD2  ARG  16           2HD      ARG  16   2.887 -14.217   0.234
  173    HD3  ARG  16           1HD      ARG  16   3.433 -13.136  -1.040
  174    HE   ARG  16           HE       ARG  16   5.649 -13.850   0.515
  175   HH11  ARG  16          1HH1      ARG  16   3.380 -15.302  -1.700
  176   HH12  ARG  16          2HH1      ARG  16   4.485 -16.526  -2.230
  177   HH21  ARG  16          1HH2      ARG  16   7.107 -15.472  -0.177
  178   HH22  ARG  16          2HH2      ARG  16   6.596 -16.624  -1.365
  179    H    LEU  17           H        LEU  17   1.751  -9.299  -2.135
  180    HA   LEU  17           HA       LEU  17  -0.472  -9.476  -2.673
  181    HB2  LEU  17           2HB      LEU  17  -1.425 -11.475  -3.107
  182    HB3  LEU  17           1HB      LEU  17   0.231 -12.029  -2.985
  183    HG   LEU  17           HG       LEU  17  -0.589 -12.312  -0.402
  184   HD11  LEU  17          1HD1      LEU  17  -2.783 -12.722  -0.151
  185   HD12  LEU  17          2HD1      LEU  17  -2.922 -13.494  -1.732
  186   HD13  LEU  17          3HD1      LEU  17  -2.948 -11.735  -1.603
  187   HD21  LEU  17          1HD2      LEU  17  -1.166 -14.742  -1.301
  188   HD22  LEU  17          2HD2      LEU  17   0.488 -14.133  -1.242
  189   HD23  LEU  17          3HD2      LEU  17  -0.410 -14.101  -2.760
  190    H    GLY  18           H        GLY  18   0.855  -8.996   0.038
  191    HA2  GLY  18           2HA      GLY  18  -0.248  -7.819   1.795
  192    HA3  GLY  18           1HA      GLY  18  -1.677  -8.801   1.521
  Start of MODEL    4
    1    H1   ALA   1           1HT      ALA   1  -5.793  14.688   0.954
    2    H2   ALA   1           2HT      ALA   1  -7.255  13.840   0.649
    3    H3   ALA   1           3HT      ALA   1  -6.566  14.835  -0.569
    4    HA   ALA   1           HA       ALA   1  -6.198  12.523  -0.998
    5    HB1  ALA   1           1HB      ALA   1  -3.560  13.695  -0.222
    6    HB2  ALA   1           2HB      ALA   1  -4.526  14.433  -1.501
    7    HB3  ALA   1           3HB      ALA   1  -3.990  12.759  -1.651
    8    H    LEU   2           H        LEU   2  -5.119  10.573  -0.432
    9    HA   LEU   2           HA       LEU   2  -3.703  10.018   1.842
   10    HB2  LEU   2           2HB      LEU   2  -5.716   8.823   3.088
   11    HB3  LEU   2           1HB      LEU   2  -5.226  10.465   3.457
   12    HG   LEU   2           HG       LEU   2  -7.153  10.596   1.361
   13   HD11  LEU   2          1HD1      LEU   2  -8.378   9.233   3.713
   14   HD12  LEU   2          2HD1      LEU   2  -7.670   8.264   2.421
   15   HD13  LEU   2          3HD1      LEU   2  -8.978   9.392   2.062
   16   HD21  LEU   2          1HD2      LEU   2  -6.505  11.950   3.673
   17   HD22  LEU   2          2HD2      LEU   2  -8.098  11.283   4.027
   18   HD23  LEU   2          3HD2      LEU   2  -7.866  12.304   2.608
   19    H    TYR   3           H        TYR   3  -6.157   8.989  -0.373
   20    HA   TYR   3           HA       TYR   3  -6.117   6.267  -0.117
   21    HB2  TYR   3           2HB      TYR   3  -6.662   6.173  -2.543
   22    HB3  TYR   3           1HB      TYR   3  -7.623   7.361  -1.668
   23    HD1  TYR   3           2HD      TYR   3  -4.435   7.141  -3.615
   24    HD2  TYR   3           1HD      TYR   3  -7.855   9.460  -2.599
   25    HE1  TYR   3           2HE      TYR   3  -3.728   8.870  -5.212
   26    HE2  TYR   3           1HE      TYR   3  -7.158  11.197  -4.196
   27    HH   TYR   3           HH       TYR   3  -5.266  11.970  -5.372
   28    H    LYS   4           H        LYS   4  -3.590   8.323  -1.152
   29    HA   LYS   4           HA       LYS   4  -2.131   6.311  -2.572
   30    HB2  LYS   4           2HB      LYS   4  -0.336   7.974  -2.666
   31    HB3  LYS   4           1HB      LYS   4  -1.875   8.692  -3.124
   32    HG2  LYS   4           2HG      LYS   4  -1.335   8.939  -0.282
   33    HG3  LYS   4           1HG      LYS   4  -0.097   9.697  -1.284
   34    HD2  LYS   4           2HD      LYS   4  -1.772  11.008  -2.433
   35    HD3  LYS   4           1HD      LYS   4  -3.064  10.179  -1.562
   36    HE2  LYS   4           2HE      LYS   4  -2.933  11.707   0.043
   37    HE3  LYS   4           1HE      LYS   4  -1.280  11.192   0.377
   38    HZ1  LYS   4           1HZ      LYS   4  -1.578  13.608  -0.152
   39    HZ2  LYS   4           2HZ      LYS   4  -1.959  13.158  -1.737
   40    HZ3  LYS   4           3HZ      LYS   4  -0.431  12.805  -1.103
   41    H    LYS   5           H        LYS   5  -2.408   7.377   0.689
   42    HA   LYS   5           HA       LYS   5   0.039   6.227   1.599
   43    HB2  LYS   5           2HB      LYS   5  -0.597   6.881   3.750
   44    HB3  LYS   5           1HB      LYS   5  -1.333   8.097   2.719
   45    HG2  LYS   5           2HG      LYS   5  -3.334   6.253   2.922
   46    HG3  LYS   5           1HG      LYS   5  -2.568   6.141   4.504
   47    HD2  LYS   5           2HD      LYS   5  -3.476   8.702   3.207
   48    HD3  LYS   5           1HD      LYS   5  -4.401   7.807   4.411
   49    HE2  LYS   5           2HE      LYS   5  -3.341   9.019   5.953
   50    HE3  LYS   5           1HE      LYS   5  -1.890   8.099   5.554
   51    HZ1  LYS   5           1HZ      LYS   5  -2.502  10.374   3.839
   52    HZ2  LYS   5           2HZ      LYS   5  -1.009   9.816   4.409
   53    HZ3  LYS   5           3HZ      LYS   5  -2.007  10.736   5.416
   54    H    PHE   6           H        PHE   6  -3.368   5.217   1.450
   55    HA   PHE   6           HA       PHE   6  -2.746   2.732   2.701
   56    HB2  PHE   6           2HB      PHE   6  -5.006   2.027   2.230
   57    HB3  PHE   6           1HB      PHE   6  -5.007   3.658   2.869
   58    HD1  PHE   6           2HD      PHE   6  -4.528   2.499  -0.664
   59    HD2  PHE   6           1HD      PHE   6  -6.938   4.577   2.161
   60    HE1  PHE   6           2HE      PHE   6  -6.029   3.215  -2.469
   61    HE2  PHE   6           1HE      PHE   6  -8.451   5.280   0.357
   62    HZ   PHE   6           HZ       PHE   6  -7.991   4.603  -1.961
   63    H    LYS   7           H        LYS   7  -2.415   4.020  -0.412
   64    HA   LYS   7           HA       LYS   7  -2.403   1.551  -1.857
   65    HB2  LYS   7           2HB      LYS   7  -2.223   4.294  -2.504
   66    HB3  LYS   7           1HB      LYS   7  -0.728   3.557  -3.060
   67    HG2  LYS   7           2HG      LYS   7  -2.328   3.540  -4.844
   68    HG3  LYS   7           1HG      LYS   7  -2.047   1.884  -4.304
   69    HD2  LYS   7           2HD      LYS   7  -4.216   3.136  -2.852
   70    HD3  LYS   7           1HD      LYS   7  -4.507   3.148  -4.592
   71    HE2  LYS   7           2HE      LYS   7  -4.252   0.774  -4.719
   72    HE3  LYS   7           1HE      LYS   7  -3.692   0.689  -3.050
   73    HZ1  LYS   7           1HZ      LYS   7  -6.383   1.712  -3.733
   74    HZ2  LYS   7           2HZ      LYS   7  -5.822   1.140  -2.243
   75    HZ3  LYS   7           3HZ      LYS   7  -6.092   0.059  -3.515
   76    H    LYS   8           H        LYS   8  -0.182   3.414   0.024
   77    HA   LYS   8           HA       LYS   8   2.247   2.289  -0.804
   78    HB2  LYS   8           2HB      LYS   8   1.284   3.763   1.576
   79    HB3  LYS   8           1HB      LYS   8   2.752   2.821   1.786
   80    HG2  LYS   8           2HG      LYS   8   2.955   5.286   1.116
   81    HG3  LYS   8           1HG      LYS   8   3.940   4.099   0.258
   82    HD2  LYS   8           2HD      LYS   8   2.937   4.528  -1.692
   83    HD3  LYS   8           1HD      LYS   8   1.333   4.476  -0.961
   84    HE2  LYS   8           2HE      LYS   8   1.439   6.753  -0.335
   85    HE3  LYS   8           1HE      LYS   8   3.172   6.833  -0.652
   86    HZ1  LYS   8           1HZ      LYS   8   1.108   6.383  -2.738
   87    HZ2  LYS   8           2HZ      LYS   8   2.763   6.618  -2.989
   88    HZ3  LYS   8           3HZ      LYS   8   1.809   7.883  -2.395
   89    H    LYS   9           H        LYS   9  -0.029   1.490   1.706
   90    HA   LYS   9           HA       LYS   9   1.348  -0.824   2.604
   91    HB2  LYS   9           2HB      LYS   9  -0.398  -1.176   4.062
   92    HB3  LYS   9           1HB      LYS   9  -0.612   0.533   3.727
   93    HG2  LYS   9           2HG      LYS   9  -2.123  -0.758   1.775
   94    HG3  LYS   9           1HG      LYS   9  -2.398  -1.683   3.250
   95    HD2  LYS   9           2HD      LYS   9  -2.456   1.190   3.700
   96    HD3  LYS   9           1HD      LYS   9  -3.667   0.661   2.532
   97    HE2  LYS   9           2HE      LYS   9  -3.289  -0.669   5.204
   98    HE3  LYS   9           1HE      LYS   9  -4.377   0.698   4.965
   99    HZ1  LYS   9           1HZ      LYS   9  -4.728  -1.448   3.067
  100    HZ2  LYS   9           2HZ      LYS   9  -5.884  -0.583   3.949
  101    HZ3  LYS   9           3HZ      LYS   9  -5.069  -1.881   4.667
  102    H    LEU  10           H        LEU  10  -0.679  -0.174  -0.084
  103    HA   LEU  10           HA       LEU  10  -1.299  -2.946  -0.609
  104    HB2  LEU  10           2HB      LEU  10  -2.662  -0.912  -1.378
  105    HB3  LEU  10           1HB      LEU  10  -1.418  -0.671  -2.590
  106    HG   LEU  10           HG       LEU  10  -2.881  -3.285  -2.374
  107   HD11  LEU  10          1HD1      LEU  10  -4.377  -1.166  -2.641
  108   HD12  LEU  10          2HD1      LEU  10  -4.631  -2.566  -3.683
  109   HD13  LEU  10          3HD1      LEU  10  -3.746  -1.167  -4.289
  110   HD21  LEU  10          1HD2      LEU  10  -2.316  -2.746  -5.007
  111   HD22  LEU  10          2HD2      LEU  10  -1.348  -3.759  -3.935
  112   HD23  LEU  10          3HD2      LEU  10  -0.928  -2.061  -4.164
  113    H    LEU  11           H        LEU  11   1.376  -0.934  -0.916
  114    HA   LEU  11           HA       LEU  11   2.542  -2.134  -3.244
  115    HB2  LEU  11           2HB      LEU  11   4.024  -0.818  -0.975
  116    HB3  LEU  11           1HB      LEU  11   4.546  -0.989  -2.639
  117    HG   LEU  11           HG       LEU  11   2.254   0.746  -1.728
  118   HD11  LEU  11          1HD1      LEU  11   3.875   2.592  -2.395
  119   HD12  LEU  11          2HD1      LEU  11   5.137   1.362  -2.351
  120   HD13  LEU  11          3HD1      LEU  11   4.231   1.747  -0.888
  121   HD21  LEU  11          1HD2      LEU  11   2.584  -0.308  -4.182
  122   HD22  LEU  11          2HD2      LEU  11   3.563   1.150  -4.337
  123   HD23  LEU  11          3HD2      LEU  11   1.861   1.273  -3.886
  124    H    LYS  12           H        LYS  12   2.911  -2.431   0.257
  125    HA   LYS  12           HA       LYS  12   4.749  -4.560   0.249
  126    HB2  LYS  12           2HB      LYS  12   4.627  -4.009   2.431
  127    HB3  LYS  12           1HB      LYS  12   3.109  -3.165   2.182
  128    HG2  LYS  12           2HG      LYS  12   2.961  -6.117   2.338
  129    HG3  LYS  12           1HG      LYS  12   3.382  -5.258   3.816
  130    HD2  LYS  12           2HD      LYS  12   1.378  -3.863   3.576
  131    HD3  LYS  12           1HD      LYS  12   0.953  -4.740   2.105
  132    HE2  LYS  12           2HE      LYS  12   1.166  -6.825   3.726
  133    HE3  LYS  12           1HE      LYS  12   0.814  -5.604   4.947
  134    HZ1  LYS  12           1HZ      LYS  12  -1.287  -5.326   4.200
  135    HZ2  LYS  12           2HZ      LYS  12  -1.079  -6.914   3.655
  136    HZ3  LYS  12           3HZ      LYS  12  -0.888  -5.619   2.582
  137    H    SER  13           H        SER  13   1.263  -4.447  -0.144
  138    HA   SER  13           HA       SER  13   0.998  -7.324  -0.060
  139    HB2  SER  13           2HB      SER  13  -1.324  -6.944  -0.617
  140    HB3  SER  13           1HB      SER  13  -0.860  -5.714   0.559
  141    HG   SER  13           HG       SER  13  -1.252  -5.440  -2.224
  142    H    LEU  14           H        LEU  14   1.723  -4.879  -2.400
  143    HA   LEU  14           HA       LEU  14   1.021  -6.334  -4.716
  144    HB2  LEU  14           2HB      LEU  14   1.562  -4.368  -5.628
  145    HB3  LEU  14           1HB      LEU  14   2.254  -3.835  -4.113
  146    HG   LEU  14           HG       LEU  14   4.084  -5.541  -5.621
  147   HD11  LEU  14          1HD1      LEU  14   2.841  -4.473  -7.494
  148   HD12  LEU  14          2HD1      LEU  14   4.557  -4.068  -7.423
  149   HD13  LEU  14          3HD1      LEU  14   3.354  -2.906  -6.863
  150   HD21  LEU  14          1HD2      LEU  14   4.119  -2.931  -4.191
  151   HD22  LEU  14          2HD2      LEU  14   5.425  -3.315  -5.311
  152   HD23  LEU  14          3HD2      LEU  14   5.104  -4.371  -3.934
  153    H    LYS  15           H        LYS  15   3.647  -6.515  -2.457
  154    HA   LYS  15           HA       LYS  15   5.301  -8.082  -4.230
  155    HB2  LYS  15           2HB      LYS  15   6.936  -7.444  -2.857
  156    HB3  LYS  15           1HB      LYS  15   5.752  -6.556  -1.921
  157    HG2  LYS  15           2HG      LYS  15   7.149  -7.984  -0.523
  158    HG3  LYS  15           1HG      LYS  15   5.457  -8.457  -0.438
  159    HD2  LYS  15           2HD      LYS  15   5.948 -10.514  -1.115
  160    HD3  LYS  15           1HD      LYS  15   6.755  -9.892  -2.555
  161    HE2  LYS  15           2HE      LYS  15   8.191  -9.755   0.049
  162    HE3  LYS  15           1HE      LYS  15   8.055 -11.319  -0.751
  163    HZ1  LYS  15           1HZ      LYS  15   9.730  -9.097  -1.392
  164    HZ2  LYS  15           2HZ      LYS  15   8.830  -9.599  -2.733
  165    HZ3  LYS  15           3HZ      LYS  15   9.823 -10.701  -1.922
  166    H    ARG  16           H        ARG  16   3.807  -8.829  -1.040
  167    HA   ARG  16           HA       ARG  16   3.997 -11.649  -1.704
  168    HB2  ARG  16           2HB      ARG  16   4.654 -10.744   0.560
  169    HB3  ARG  16           1HB      ARG  16   2.944 -10.463   0.863
  170    HG2  ARG  16           2HG      ARG  16   4.165 -12.659   1.673
  171    HG3  ARG  16           1HG      ARG  16   2.484 -12.676   1.137
  172    HD2  ARG  16           2HD      ARG  16   3.297 -13.307  -1.138
  173    HD3  ARG  16           1HD      ARG  16   4.918 -13.450  -0.462
  174    HE   ARG  16           HE       ARG  16   3.457 -15.076   1.120
  175   HH11  ARG  16          1HH1      ARG  16   3.793 -14.811  -2.344
  176   HH12  ARG  16          2HH1      ARG  16   3.474 -16.489  -2.630
  177   HH21  ARG  16          1HH2      ARG  16   3.028 -17.279   0.751
  178   HH22  ARG  16          2HH2      ARG  16   3.036 -17.895  -0.868
  179    H    LEU  17           H        LEU  17   1.774  -9.379  -2.378
  180    HA   LEU  17           HA       LEU  17  -0.314  -9.595  -3.286
  181    HB2  LEU  17           2HB      LEU  17  -1.123 -11.614  -3.860
  182    HB3  LEU  17           1HB      LEU  17   0.462 -12.168  -3.360
  183    HG   LEU  17           HG       LEU  17  -0.900 -12.325  -1.006
  184   HD11  LEU  17          1HD1      LEU  17  -3.100 -12.664  -1.222
  185   HD12  LEU  17          2HD1      LEU  17  -2.910 -13.591  -2.712
  186   HD13  LEU  17          3HD1      LEU  17  -2.926 -11.827  -2.766
  187   HD21  LEU  17          1HD2      LEU  17  -1.272 -14.799  -1.852
  188   HD22  LEU  17          2HD2      LEU  17   0.340 -14.168  -1.518
  189   HD23  LEU  17          3HD2      LEU  17  -0.249 -14.244  -3.179
  190    H    GLY  18           H        GLY  18   0.568  -9.231  -0.291
  191    HA2  GLY  18           2HA      GLY  18  -0.936  -7.950   1.142
  192    HA3  GLY  18           1HA      GLY  18  -2.204  -9.088   0.715
  Start of MODEL    5
    1    H1   ALA   1           1HT      ALA   1  -7.908  13.203   0.437
    2    H2   ALA   1           2HT      ALA   1  -7.654  14.019  -1.051
    3    H3   ALA   1           3HT      ALA   1  -6.732  14.445   0.333
    4    HA   ALA   1           HA       ALA   1  -6.557  12.100  -1.387
    5    HB1  ALA   1           1HB      ALA   1  -4.301  12.686  -1.568
    6    HB2  ALA   1           2HB      ALA   1  -4.351  13.688  -0.116
    7    HB3  ALA   1           3HB      ALA   1  -5.154  14.229  -1.591
    8    H    LEU   2           H        LEU   2  -5.387  10.264  -0.677
    9    HA   LEU   2           HA       LEU   2  -4.242   9.756   1.744
   10    HB2  LEU   2           2HB      LEU   2  -6.234   8.387   2.771
   11    HB3  LEU   2           1HB      LEU   2  -6.016  10.088   3.138
   12    HG   LEU   2           HG       LEU   2  -7.652  10.001   0.843
   13   HD11  LEU   2          1HD1      LEU   2  -8.910   8.276   2.935
   14   HD12  LEU   2          2HD1      LEU   2  -7.936   7.560   1.653
   15   HD13  LEU   2          3HD1      LEU   2  -9.366   8.507   1.247
   16   HD21  LEU   2          1HD2      LEU   2  -8.848  11.462   2.049
   17   HD22  LEU   2          2HD2      LEU   2  -7.547  11.322   3.231
   18   HD23  LEU   2          3HD2      LEU   2  -9.011  10.355   3.410
   19    H    TYR   3           H        TYR   3  -6.296   8.593  -0.785
   20    HA   TYR   3           HA       TYR   3  -6.081   5.880  -0.566
   21    HB2  TYR   3           2HB      TYR   3  -6.295   5.822  -3.055
   22    HB3  TYR   3           1HB      TYR   3  -7.477   6.857  -2.264
   23    HD1  TYR   3           1HD      TYR   3  -4.056   7.108  -3.771
   24    HD2  TYR   3           2HD      TYR   3  -7.856   8.934  -3.191
   25    HE1  TYR   3           1HE      TYR   3  -3.372   8.975  -5.215
   26    HE2  TYR   3           2HE      TYR   3  -7.183  10.807  -4.635
   27    HH   TYR   3           HH       TYR   3  -5.264  11.862  -5.522
   28    H    LYS   4           H        LYS   4  -3.587   8.122  -1.131
   29    HA   LYS   4           HA       LYS   4  -1.816   6.261  -2.413
   30    HB2  LYS   4           2HB      LYS   4  -0.174   8.065  -2.297
   31    HB3  LYS   4           1HB      LYS   4  -1.707   8.663  -2.917
   32    HG2  LYS   4           2HG      LYS   4  -1.497   8.911  -0.028
   33    HG3  LYS   4           1HG      LYS   4  -0.228   9.786  -0.891
   34    HD2  LYS   4           2HD      LYS   4  -1.847  11.020  -2.152
   35    HD3  LYS   4           1HD      LYS   4  -3.164  10.022  -1.536
   36    HE2  LYS   4           2HE      LYS   4  -3.427  11.442   0.150
   37    HE3  LYS   4           1HE      LYS   4  -1.801  11.057   0.707
   38    HZ1  LYS   4           1HZ      LYS   4  -2.288  13.073  -1.402
   39    HZ2  LYS   4           2HZ      LYS   4  -0.907  12.860  -0.450
   40    HZ3  LYS   4           3HZ      LYS   4  -2.324  13.474   0.242
   41    H    LYS   5           H        LYS   5  -2.618   7.183   0.802
   42    HA   LYS   5           HA       LYS   5  -0.196   6.213   1.991
   43    HB2  LYS   5           2HB      LYS   5  -1.176   6.687   4.081
   44    HB3  LYS   5           1HB      LYS   5  -1.792   7.934   3.012
   45    HG2  LYS   5           2HG      LYS   5  -3.725   6.021   2.802
   46    HG3  LYS   5           1HG      LYS   5  -3.208   5.837   4.476
   47    HD2  LYS   5           2HD      LYS   5  -4.014   8.444   3.192
   48    HD3  LYS   5           1HD      LYS   5  -5.070   7.447   4.194
   49    HE2  LYS   5           2HE      LYS   5  -4.305   8.575   5.954
   50    HE3  LYS   5           1HE      LYS   5  -2.763   7.754   5.711
   51    HZ1  LYS   5           1HZ      LYS   5  -3.219  10.094   4.054
   52    HZ2  LYS   5           2HZ      LYS   5  -1.819   9.594   4.862
   53    HZ3  LYS   5           3HZ      LYS   5  -3.042  10.398   5.710
   54    H    PHE   6           H        PHE   6  -3.461   4.987   1.356
   55    HA   PHE   6           HA       PHE   6  -2.814   2.469   2.579
   56    HB2  PHE   6           2HB      PHE   6  -4.981   1.690   1.938
   57    HB3  PHE   6           1HB      PHE   6  -5.142   3.321   2.551
   58    HD1  PHE   6           1HD      PHE   6  -4.276   2.103  -0.901
   59    HD2  PHE   6           2HD      PHE   6  -7.004   4.182   1.620
   60    HE1  PHE   6           1HE      PHE   6  -5.606   2.731  -2.862
   61    HE2  PHE   6           2HE      PHE   6  -8.341   4.811  -0.342
   62    HZ   PHE   6           HZ       PHE   6  -7.641   4.090  -2.587
   63    H    LYS   7           H        LYS   7  -2.343   3.922  -0.461
   64    HA   LYS   7           HA       LYS   7  -2.140   1.524  -1.985
   65    HB2  LYS   7           2HB      LYS   7  -2.498   3.601  -3.151
   66    HB3  LYS   7           1HB      LYS   7  -1.049   4.295  -2.446
   67    HG2  LYS   7           2HG      LYS   7  -0.219   1.959  -3.755
   68    HG3  LYS   7           1HG      LYS   7  -1.353   2.755  -4.848
   69    HD2  LYS   7           2HD      LYS   7   1.031   3.432  -5.160
   70    HD3  LYS   7           1HD      LYS   7  -0.067   4.772  -4.828
   71    HE2  LYS   7           2HE      LYS   7   0.813   3.929  -2.321
   72    HE3  LYS   7           1HE      LYS   7   2.244   3.857  -3.345
   73    HZ1  LYS   7           1HZ      LYS   7   2.390   6.057  -3.338
   74    HZ2  LYS   7           2HZ      LYS   7   1.163   6.098  -2.175
   75    HZ3  LYS   7           3HZ      LYS   7   0.777   6.247  -3.812
   76    H    LYS   8           H        LYS   8  -0.065   3.433   0.043
   77    HA   LYS   8           HA       LYS   8   2.448   2.367  -0.575
   78    HB2  LYS   8           2HB      LYS   8   1.209   3.648   1.798
   79    HB3  LYS   8           1HB      LYS   8   2.639   2.680   2.111
   80    HG2  LYS   8           2HG      LYS   8   3.006   5.137   1.765
   81    HG3  LYS   8           1HG      LYS   8   3.987   4.064   0.764
   82    HD2  LYS   8           2HD      LYS   8   1.766   4.443  -0.784
   83    HD3  LYS   8           1HD      LYS   8   1.943   6.012   0.001
   84    HE2  LYS   8           2HE      LYS   8   4.526   5.185  -0.797
   85    HE3  LYS   8           1HE      LYS   8   3.449   4.903  -2.163
   86    HZ1  LYS   8           1HZ      LYS   8   4.081   7.440  -0.803
   87    HZ2  LYS   8           2HZ      LYS   8   2.637   7.277  -1.668
   88    HZ3  LYS   8           3HZ      LYS   8   4.120   7.079  -2.456
   89    H    LYS   9           H        LYS   9   0.072   1.505   1.815
   90    HA   LYS   9           HA       LYS   9   1.301  -0.887   2.664
   91    HB2  LYS   9           2HB      LYS   9  -1.567   0.043   2.793
   92    HB3  LYS   9           1HB      LYS   9  -1.016  -1.459   3.523
   93    HG2  LYS   9           2HG      LYS   9  -0.252  -0.399   5.315
   94    HG3  LYS   9           1HG      LYS   9   0.651   0.753   4.329
   95    HD2  LYS   9           2HD      LYS   9  -1.271   2.166   4.102
   96    HD3  LYS   9           1HD      LYS   9  -2.315   0.953   4.843
   97    HE2  LYS   9           2HE      LYS   9  -0.017   1.809   6.475
   98    HE3  LYS   9           1HE      LYS   9  -1.228   3.051   6.167
   99    HZ1  LYS   9           1HZ      LYS   9  -1.499   1.547   8.208
  100    HZ2  LYS   9           2HZ      LYS   9  -2.036   0.377   7.110
  101    HZ3  LYS   9           3HZ      LYS   9  -2.860   1.846   7.249
  102    H    LEU  10           H        LEU  10  -0.444  -0.079  -0.153
  103    HA   LEU  10           HA       LEU  10  -1.146  -2.820  -0.758
  104    HB2  LEU  10           2HB      LEU  10  -2.244  -0.468  -1.526
  105    HB3  LEU  10           1HB      LEU  10  -1.193  -0.775  -2.898
  106    HG   LEU  10           HG       LEU  10  -2.760  -3.102  -2.099
  107   HD11  LEU  10          1HD1      LEU  10  -4.175  -0.808  -1.837
  108   HD12  LEU  10          2HD1      LEU  10  -4.871  -2.357  -2.309
  109   HD13  LEU  10          3HD1      LEU  10  -4.439  -1.170  -3.542
  110   HD21  LEU  10          1HD2      LEU  10  -3.331  -2.609  -4.696
  111   HD22  LEU  10          2HD2      LEU  10  -1.901  -3.481  -4.141
  112   HD23  LEU  10          3HD2      LEU  10  -1.791  -1.764  -4.529
  113    H    LEU  11           H        LEU  11   1.579  -0.903  -0.872
  114    HA   LEU  11           HA       LEU  11   2.763  -2.005  -3.265
  115    HB2  LEU  11           2HB      LEU  11   4.206  -0.743  -0.934
  116    HB3  LEU  11           1HB      LEU  11   4.783  -0.904  -2.583
  117    HG   LEU  11           HG       LEU  11   2.479   0.842  -1.720
  118   HD11  LEU  11          1HD1      LEU  11   5.371   1.437  -2.296
  119   HD12  LEU  11          2HD1      LEU  11   4.440   1.829  -0.852
  120   HD13  LEU  11          3HD1      LEU  11   4.116   2.674  -2.365
  121   HD21  LEU  11          1HD2      LEU  11   2.350  -0.043  -4.040
  122   HD22  LEU  11          2HD2      LEU  11   3.912   0.708  -4.371
  123   HD23  LEU  11          3HD2      LEU  11   2.519   1.711  -3.960
  124    H    LYS  12           H        LYS  12   3.005  -2.454   0.217
  125    HA   LYS  12           HA       LYS  12   4.803  -4.660   0.066
  126    HB2  LYS  12           2HB      LYS  12   4.893  -4.198   2.259
  127    HB3  LYS  12           1HB      LYS  12   3.499  -3.142   2.119
  128    HG2  LYS  12           2HG      LYS  12   2.832  -5.998   2.237
  129    HG3  LYS  12           1HG      LYS  12   3.640  -5.370   3.668
  130    HD2  LYS  12           2HD      LYS  12   1.761  -4.396   4.344
  131    HD3  LYS  12           1HD      LYS  12   1.653  -3.497   2.829
  132    HE2  LYS  12           2HE      LYS  12  -0.234  -4.661   2.502
  133    HE3  LYS  12           1HE      LYS  12   0.843  -5.984   2.060
  134    HZ1  LYS  12           1HZ      LYS  12  -0.090  -5.532   4.839
  135    HZ2  LYS  12           2HZ      LYS  12   0.664  -6.911   4.210
  136    HZ3  LYS  12           3HZ      LYS  12  -0.916  -6.523   3.740
  137    H    SER  13           H        SER  13   1.314  -4.282   0.010
  138    HA   SER  13           HA       SER  13   0.826  -7.122   0.076
  139    HB2  SER  13           2HB      SER  13  -0.980  -5.878   0.941
  140    HB3  SER  13           1HB      SER  13  -0.901  -4.694  -0.364
  141    HG   SER  13           HG       SER  13  -1.811  -6.173  -1.745
  142    H    LEU  14           H        LEU  14   1.734  -4.821  -2.266
  143    HA   LEU  14           HA       LEU  14   0.597  -6.158  -4.510
  144    HB2  LEU  14           2HB      LEU  14   1.134  -4.178  -5.418
  145    HB3  LEU  14           1HB      LEU  14   2.127  -3.767  -4.037
  146    HG   LEU  14           HG       LEU  14   3.403  -5.592  -5.975
  147   HD11  LEU  14          1HD1      LEU  14   2.146  -4.113  -7.481
  148   HD12  LEU  14          2HD1      LEU  14   3.889  -3.871  -7.592
  149   HD13  LEU  14          3HD1      LEU  14   2.894  -2.717  -6.704
  150   HD21  LEU  14          1HD2      LEU  14   5.214  -3.795  -5.629
  151   HD22  LEU  14          2HD2      LEU  14   4.803  -4.846  -4.274
  152   HD23  LEU  14          3HD2      LEU  14   4.167  -3.202  -4.339
  153    H    LYS  15           H        LYS  15   3.510  -6.405  -2.643
  154    HA   LYS  15           HA       LYS  15   4.846  -8.090  -4.552
  155    HB2  LYS  15           2HB      LYS  15   6.170  -6.627  -3.143
  156    HB3  LYS  15           1HB      LYS  15   5.516  -7.382  -1.697
  157    HG2  LYS  15           2HG      LYS  15   6.951  -9.079  -3.676
  158    HG3  LYS  15           1HG      LYS  15   7.882  -8.033  -2.601
  159    HD2  LYS  15           2HD      LYS  15   6.336  -9.097  -0.758
  160    HD3  LYS  15           1HD      LYS  15   6.169 -10.388  -1.949
  161    HE2  LYS  15           2HE      LYS  15   8.693  -9.373  -0.658
  162    HE3  LYS  15           1HE      LYS  15   7.978 -10.979  -0.518
  163    HZ1  LYS  15           1HZ      LYS  15   9.337 -11.548  -2.162
  164    HZ2  LYS  15           2HZ      LYS  15   9.737  -9.943  -2.517
  165    HZ3  LYS  15           3HZ      LYS  15   8.356 -10.641  -3.202
  166    H    ARG  16           H        ARG  16   4.159  -8.742  -1.130
  167    HA   ARG  16           HA       ARG  16   3.891 -11.564  -1.778
  168    HB2  ARG  16           2HB      ARG  16   5.314 -10.833   0.116
  169    HB3  ARG  16           1HB      ARG  16   3.878 -10.225   0.926
  170    HG2  ARG  16           2HG      ARG  16   4.853 -12.590   1.497
  171    HG3  ARG  16           1HG      ARG  16   3.112 -12.308   1.451
  172    HD2  ARG  16           2HD      ARG  16   3.071 -13.150  -0.871
  173    HD3  ARG  16           1HD      ARG  16   4.793 -13.505  -0.751
  174    HE   ARG  16           HE       ARG  16   3.392 -14.771   1.353
  175   HH11  ARG  16          1HH1      ARG  16   3.943 -15.006  -2.087
  176   HH12  ARG  16          2HH1      ARG  16   3.649 -16.712  -2.144
  177   HH21  ARG  16          1HH2      ARG  16   3.010 -17.008   1.286
  178   HH22  ARG  16          2HH2      ARG  16   3.115 -17.855  -0.222
  179    H    LEU  17           H        LEU  17   1.720  -9.109  -1.805
  180    HA   LEU  17           HA       LEU  17  -0.582  -9.144  -1.876
  181    HB2  LEU  17           2HB      LEU  17  -1.640 -11.089  -2.259
  182    HB3  LEU  17           1HB      LEU  17  -0.021 -11.764  -2.306
  183    HG   LEU  17           HG       LEU  17  -0.571 -11.991   0.349
  184   HD11  LEU  17          1HD1      LEU  17  -2.754 -12.305   0.841
  185   HD12  LEU  17          2HD1      LEU  17  -3.144 -12.917  -0.767
  186   HD13  LEU  17          3HD1      LEU  17  -2.976 -11.182  -0.500
  187   HD21  LEU  17          1HD2      LEU  17  -0.389 -14.202  -0.046
  188   HD22  LEU  17          2HD2      LEU  17   0.011 -13.671  -1.680
  189   HD23  LEU  17          3HD2      LEU  17  -1.630 -14.191  -1.298
  190    H    GLY  18           H        GLY  18   1.302  -8.802   0.452
  191    HA2  GLY  18           2HA      GLY  18   0.955  -7.850   2.542
  192    HA3  GLY  18           1HA      GLY  18  -0.751  -8.250   2.418
  Start of MODEL    6
    1    H1   ALA   1           1HT      ALA   1  -6.008  14.426  -0.095
    2    H2   ALA   1           2HT      ALA   1  -7.645  13.914  -0.045
    3    H3   ALA   1           3HT      ALA   1  -6.983  14.541  -1.500
    4    HA   ALA   1           HA       ALA   1  -7.220  12.143  -1.498
    5    HB1  ALA   1           1HB      ALA   1  -4.687  13.610  -1.908
    6    HB2  ALA   1           2HB      ALA   1  -5.661  12.685  -3.049
    7    HB3  ALA   1           3HB      ALA   1  -4.594  11.847  -1.922
    8    H    LEU   2           H        LEU   2  -5.893  10.146  -0.917
    9    HA   LEU   2           HA       LEU   2  -4.438  10.034   1.484
   10    HB2  LEU   2           2HB      LEU   2  -6.466   8.505   2.475
   11    HB3  LEU   2           1HB      LEU   2  -6.083  10.137   2.988
   12    HG   LEU   2           HG       LEU   2  -7.859  10.065   0.665
   13   HD11  LEU   2          1HD1      LEU   2  -9.281   9.319   3.137
   14   HD12  LEU   2          2HD1      LEU   2  -8.406   8.028   2.318
   15   HD13  LEU   2          3HD1      LEU   2  -9.644   8.937   1.455
   16   HD21  LEU   2          1HD2      LEU   2  -8.296  12.068   1.505
   17   HD22  LEU   2          2HD2      LEU   2  -7.262  11.719   2.891
   18   HD23  LEU   2          3HD2      LEU   2  -8.979  11.322   2.949
   19    H    TYR   3           H        TYR   3  -6.531   8.363  -0.756
   20    HA   TYR   3           HA       TYR   3  -5.960   5.739  -0.315
   21    HB2  TYR   3           2HB      TYR   3  -6.253   5.370  -2.751
   22    HB3  TYR   3           1HB      TYR   3  -7.497   6.405  -2.058
   23    HD1  TYR   3           1HD      TYR   3  -4.390   6.416  -4.075
   24    HD2  TYR   3           2HD      TYR   3  -7.818   8.613  -2.840
   25    HE1  TYR   3           1HE      TYR   3  -3.882   8.142  -5.752
   26    HE2  TYR   3           2HE      TYR   3  -7.322  10.344  -4.515
   27    HH   TYR   3           HH       TYR   3  -6.081  10.504  -6.683
   28    H    LYS   4           H        LYS   4  -3.800   8.171  -1.433
   29    HA   LYS   4           HA       LYS   4  -1.848   6.588  -2.668
   30    HB2  LYS   4           2HB      LYS   4  -0.338   8.464  -2.311
   31    HB3  LYS   4           1HB      LYS   4  -1.915   9.044  -2.830
   32    HG2  LYS   4           2HG      LYS   4  -2.236   9.151  -0.162
   33    HG3  LYS   4           1HG      LYS   4  -0.498   9.431  -0.279
   34    HD2  LYS   4           2HD      LYS   4  -0.758  11.441  -1.315
   35    HD3  LYS   4           1HD      LYS   4  -2.231  10.939  -2.148
   36    HE2  LYS   4           2HE      LYS   4  -3.546  11.260  -0.191
   37    HE3  LYS   4           1HE      LYS   4  -2.112  11.468   0.813
   38    HZ1  LYS   4           1HZ      LYS   4  -1.695  13.559  -0.089
   39    HZ2  LYS   4           2HZ      LYS   4  -3.373  13.545   0.122
   40    HZ3  LYS   4           3HZ      LYS   4  -2.713  13.310  -1.418
   41    H    LYS   5           H        LYS   5  -2.410   7.414   0.686
   42    HA   LYS   5           HA       LYS   5   0.001   6.181   1.616
   43    HB2  LYS   5           2HB      LYS   5  -0.829   6.585   3.838
   44    HB3  LYS   5           1HB      LYS   5  -1.149   8.007   2.859
   45    HG2  LYS   5           2HG      LYS   5  -3.437   6.443   2.626
   46    HG3  LYS   5           1HG      LYS   5  -2.973   6.330   4.321
   47    HD2  LYS   5           2HD      LYS   5  -3.326   8.897   2.770
   48    HD3  LYS   5           1HD      LYS   5  -4.508   8.209   3.885
   49    HE2  LYS   5           2HE      LYS   5  -3.365   8.870   5.710
   50    HE3  LYS   5           1HE      LYS   5  -1.796   8.538   4.975
   51    HZ1  LYS   5           1HZ      LYS   5  -3.484  10.886   4.307
   52    HZ2  LYS   5           2HZ      LYS   5  -1.901  10.592   3.789
   53    HZ3  LYS   5           3HZ      LYS   5  -2.210  10.917   5.420
   54    H    PHE   6           H        PHE   6  -3.385   5.265   1.273
   55    HA   PHE   6           HA       PHE   6  -3.063   2.767   2.562
   56    HB2  PHE   6           2HB      PHE   6  -5.122   3.229   0.422
   57    HB3  PHE   6           1HB      PHE   6  -5.243   2.211   1.850
   58    HD1  PHE   6           1HD      PHE   6  -4.095   4.467   3.711
   59    HD2  PHE   6           2HD      PHE   6  -7.229   4.294   0.837
   60    HE1  PHE   6           1HE      PHE   6  -5.268   6.288   4.883
   61    HE2  PHE   6           2HE      PHE   6  -8.405   6.109   2.001
   62    HZ   PHE   6           HZ       PHE   6  -7.424   7.115   4.023
   63    H    LYS   7           H        LYS   7  -2.370   3.964  -0.569
   64    HA   LYS   7           HA       LYS   7  -2.188   1.451  -1.876
   65    HB2  LYS   7           2HB      LYS   7  -2.450   3.321  -3.276
   66    HB3  LYS   7           1HB      LYS   7  -1.151   4.191  -2.486
   67    HG2  LYS   7           2HG      LYS   7  -0.493   1.649  -3.880
   68    HG3  LYS   7           1HG      LYS   7  -0.843   3.074  -4.860
   69    HD2  LYS   7           2HD      LYS   7   1.357   2.674  -2.849
   70    HD3  LYS   7           1HD      LYS   7   1.490   3.089  -4.559
   71    HE2  LYS   7           2HE      LYS   7  -0.009   5.154  -3.591
   72    HE3  LYS   7           1HE      LYS   7   1.041   4.802  -2.223
   73    HZ1  LYS   7           1HZ      LYS   7   1.784   5.669  -4.945
   74    HZ2  LYS   7           2HZ      LYS   7   2.905   4.860  -3.971
   75    HZ3  LYS   7           3HZ      LYS   7   2.246   6.331  -3.459
   76    H    LYS   8           H        LYS   8  -0.111   3.441   0.061
   77    HA   LYS   8           HA       LYS   8   2.395   2.354  -0.406
   78    HB2  LYS   8           2HB      LYS   8   1.079   3.677   1.882
   79    HB3  LYS   8           1HB      LYS   8   2.482   2.705   2.284
   80    HG2  LYS   8           2HG      LYS   8   2.968   5.094   1.917
   81    HG3  LYS   8           1HG      LYS   8   3.873   4.011   0.854
   82    HD2  LYS   8           2HD      LYS   8   1.547   4.558  -0.544
   83    HD3  LYS   8           1HD      LYS   8   1.968   6.099   0.201
   84    HE2  LYS   8           2HE      LYS   8   4.369   5.023  -0.783
   85    HE3  LYS   8           1HE      LYS   8   3.166   4.776  -2.048
   86    HZ1  LYS   8           1HZ      LYS   8   3.968   6.873  -2.504
   87    HZ2  LYS   8           2HZ      LYS   8   4.127   7.300  -0.875
   88    HZ3  LYS   8           3HZ      LYS   8   2.593   7.231  -1.585
   89    H    LYS   9           H        LYS   9  -0.024   1.440   1.939
   90    HA   LYS   9           HA       LYS   9   1.242  -0.928   2.813
   91    HB2  LYS   9           2HB      LYS   9  -1.671  -0.117   2.861
   92    HB3  LYS   9           1HB      LYS   9  -1.049  -1.559   3.653
   93    HG2  LYS   9           2HG      LYS   9  -0.745  -0.298   5.449
   94    HG3  LYS   9           1HG      LYS   9   0.590   0.460   4.578
   95    HD2  LYS   9           2HD      LYS   9  -0.692   2.282   5.221
   96    HD3  LYS   9           1HD      LYS   9  -1.252   1.983   3.574
   97    HE2  LYS   9           2HE      LYS   9  -3.188   2.332   4.892
   98    HE3  LYS   9           1HE      LYS   9  -3.102   0.598   4.581
   99    HZ1  LYS   9           1HZ      LYS   9  -1.810   1.550   7.010
  100    HZ2  LYS   9           2HZ      LYS   9  -2.702   0.140   6.740
  101    HZ3  LYS   9           3HZ      LYS   9  -3.502   1.609   6.990
  102    H    LEU  10           H        LEU  10  -0.570  -0.142   0.010
  103    HA   LEU  10           HA       LEU  10  -1.127  -2.914  -0.613
  104    HB2  LEU  10           2HB      LEU  10  -1.845  -0.297  -1.708
  105    HB3  LEU  10           1HB      LEU  10  -1.528  -1.504  -2.939
  106    HG   LEU  10           HG       LEU  10  -3.170  -2.636  -0.901
  107   HD11  LEU  10          1HD1      LEU  10  -3.945  -0.431  -0.367
  108   HD12  LEU  10          2HD1      LEU  10  -5.201  -1.252  -1.295
  109   HD13  LEU  10          3HD1      LEU  10  -4.175  -0.049  -2.075
  110   HD21  LEU  10          1HD2      LEU  10  -4.731  -2.528  -3.097
  111   HD22  LEU  10          2HD2      LEU  10  -3.454  -3.720  -2.858
  112   HD23  LEU  10          3HD2      LEU  10  -3.142  -2.277  -3.823
  113    H    LEU  11           H        LEU  11   1.505  -0.943  -0.689
  114    HA   LEU  11           HA       LEU  11   2.665  -1.914  -3.143
  115    HB2  LEU  11           2HB      LEU  11   4.064  -0.584  -0.817
  116    HB3  LEU  11           1HB      LEU  11   4.670  -0.748  -2.456
  117    HG   LEU  11           HG       LEU  11   2.311   0.919  -1.602
  118   HD11  LEU  11          1HD1      LEU  11   3.824   2.785  -2.388
  119   HD12  LEU  11          2HD1      LEU  11   5.137   1.607  -2.383
  120   HD13  LEU  11          3HD1      LEU  11   4.295   1.997  -0.883
  121   HD21  LEU  11          1HD2      LEU  11   3.321   0.056  -4.239
  122   HD22  LEU  11          2HD2      LEU  11   2.887   1.757  -4.085
  123   HD23  LEU  11          3HD2      LEU  11   1.692   0.509  -3.736
  124    H    LYS  12           H        LYS  12   3.066  -2.438   0.330
  125    HA   LYS  12           HA       LYS  12   4.957  -4.552   0.007
  126    HB2  LYS  12           2HB      LYS  12   5.119  -4.413   2.243
  127    HB3  LYS  12           1HB      LYS  12   3.968  -3.091   2.156
  128    HG2  LYS  12           2HG      LYS  12   2.483  -5.512   2.182
  129    HG3  LYS  12           1HG      LYS  12   3.705  -5.609   3.447
  130    HD2  LYS  12           2HD      LYS  12   2.903  -3.178   3.986
  131    HD3  LYS  12           1HD      LYS  12   1.451  -3.686   3.118
  132    HE2  LYS  12           2HE      LYS  12   2.443  -5.602   5.112
  133    HE3  LYS  12           1HE      LYS  12   1.871  -4.069   5.772
  134    HZ1  LYS  12           1HZ      LYS  12   0.232  -5.496   3.792
  135    HZ2  LYS  12           2HZ      LYS  12  -0.251  -4.434   5.017
  136    HZ3  LYS  12           3HZ      LYS  12   0.219  -6.013   5.404
  137    H    SER  13           H        SER  13   1.466  -4.337   0.003
  138    HA   SER  13           HA       SER  13   1.122  -7.188   0.182
  139    HB2  SER  13           2HB      SER  13  -1.227  -6.760  -0.133
  140    HB3  SER  13           1HB      SER  13  -0.609  -5.499   0.932
  141    HG   SER  13           HG       SER  13  -1.503  -5.338  -1.699
  142    H    LEU  14           H        LEU  14   1.535  -4.814  -2.336
  143    HA   LEU  14           HA       LEU  14   0.585  -6.426  -4.447
  144    HB2  LEU  14           2HB      LEU  14   0.929  -4.510  -5.554
  145    HB3  LEU  14           1HB      LEU  14   1.798  -3.857  -4.184
  146    HG   LEU  14           HG       LEU  14   3.363  -5.632  -5.958
  147   HD11  LEU  14          1HD1      LEU  14   1.942  -4.291  -7.524
  148   HD12  LEU  14          2HD1      LEU  14   3.677  -4.019  -7.679
  149   HD13  LEU  14          3HD1      LEU  14   2.674  -2.838  -6.840
  150   HD21  LEU  14          1HD2      LEU  14   3.781  -3.112  -4.401
  151   HD22  LEU  14          2HD2      LEU  14   4.939  -3.624  -5.627
  152   HD23  LEU  14          3HD2      LEU  14   4.597  -4.668  -4.249
  153    H    LYS  15           H        LYS  15   3.474  -6.335  -2.576
  154    HA   LYS  15           HA       LYS  15   5.079  -7.867  -4.354
  155    HB2  LYS  15           2HB      LYS  15   6.647  -7.101  -2.969
  156    HB3  LYS  15           1HB      LYS  15   5.413  -6.491  -1.885
  157    HG2  LYS  15           2HG      LYS  15   7.106  -7.940  -0.807
  158    HG3  LYS  15           1HG      LYS  15   5.450  -8.505  -0.598
  159    HD2  LYS  15           2HD      LYS  15   5.954 -10.454  -1.523
  160    HD3  LYS  15           1HD      LYS  15   6.560  -9.653  -2.973
  161    HE2  LYS  15           2HE      LYS  15   8.596  -9.211  -1.221
  162    HE3  LYS  15           1HE      LYS  15   8.025 -10.797  -0.703
  163    HZ1  LYS  15           1HZ      LYS  15   8.692 -11.765  -2.616
  164    HZ2  LYS  15           2HZ      LYS  15   9.788 -10.478  -2.638
  165    HZ3  LYS  15           3HZ      LYS  15   8.378 -10.400  -3.569
  166    H    ARG  16           H        ARG  16   3.692  -8.833  -1.165
  167    HA   ARG  16           HA       ARG  16   3.893 -11.614  -2.024
  168    HB2  ARG  16           2HB      ARG  16   4.401 -10.538   0.369
  169    HB3  ARG  16           1HB      ARG  16   2.705 -10.946   0.613
  170    HG2  ARG  16           2HG      ARG  16   3.842 -13.206  -0.566
  171    HG3  ARG  16           1HG      ARG  16   5.021 -12.653   0.620
  172    HD2  ARG  16           2HD      ARG  16   3.796 -13.553   2.243
  173    HD3  ARG  16           1HD      ARG  16   2.463 -12.478   1.826
  174    HE   ARG  16           HE       ARG  16   1.383 -14.288   0.969
  175   HH11  ARG  16          1HH1      ARG  16   4.807 -14.953   0.921
  176   HH12  ARG  16          2HH1      ARG  16   4.618 -16.554   0.288
  177   HH21  ARG  16          1HH2      ARG  16   1.130 -16.401   0.140
  178   HH22  ARG  16          2HH2      ARG  16   2.532 -17.374  -0.157
  179    H    LEU  17           H        LEU  17   1.410  -9.301  -1.136
  180    HA   LEU  17           HA       LEU  17  -0.668  -9.527  -2.542
  181    HB2  LEU  17           2HB      LEU  17  -1.900 -11.476  -2.554
  182    HB3  LEU  17           1HB      LEU  17  -0.267 -12.078  -2.636
  183    HG   LEU  17           HG       LEU  17  -1.024 -13.513  -1.067
  184   HD11  LEU  17          1HD1      LEU  17   0.504 -11.698   0.117
  185   HD12  LEU  17          2HD1      LEU  17  -0.213 -13.042   0.995
  186   HD13  LEU  17          3HD1      LEU  17  -0.966 -11.453   1.056
  187   HD21  LEU  17          1HD2      LEU  17  -2.913 -11.736   0.344
  188   HD22  LEU  17          2HD2      LEU  17  -3.062 -13.435  -0.096
  189   HD23  LEU  17          3HD2      LEU  17  -3.320 -12.185  -1.313
  190    H    GLY  18           H        GLY  18   0.493  -8.916   0.314
  191    HA2  GLY  18           2HA      GLY  18  -0.784  -7.417   1.753
  192    HA3  GLY  18           1HA      GLY  18  -2.165  -8.480   1.522
  Start of MODEL    7
    1    H1   ALA   1           1HT      ALA   1  -5.547  14.589  -0.359
    2    H2   ALA   1           2HT      ALA   1  -7.076  13.863  -0.074
    3    H3   ALA   1           3HT      ALA   1  -6.699  14.495  -1.625
    4    HA   ALA   1           HA       ALA   1  -6.464  12.252  -1.863
    5    HB1  ALA   1           1HB      ALA   1  -3.898  11.960  -1.883
    6    HB2  ALA   1           2HB      ALA   1  -3.862  13.654  -1.390
    7    HB3  ALA   1           3HB      ALA   1  -4.622  13.195  -2.913
    8    H    LEU   2           H        LEU   2  -5.300  10.220  -1.146
    9    HA   LEU   2           HA       LEU   2  -4.384   9.895   1.483
   10    HB2  LEU   2           2HB      LEU   2  -6.612   8.413   1.956
   11    HB3  LEU   2           1HB      LEU   2  -6.293   9.994   2.630
   12    HG   LEU   2           HG       LEU   2  -7.537  10.204   0.021
   13   HD11  LEU   2          1HD1      LEU   2  -8.697   8.310   1.973
   14   HD12  LEU   2          2HD1      LEU   2  -8.826   8.351   0.215
   15   HD13  LEU   2          3HD1      LEU   2  -9.803   9.445   1.196
   16   HD21  LEU   2          1HD2      LEU   2  -8.216  12.075   0.999
   17   HD22  LEU   2          2HD2      LEU   2  -7.490  11.542   2.514
   18   HD23  LEU   2          3HD2      LEU   2  -9.170  11.145   2.155
   19    H    TYR   3           H        TYR   3  -5.959   8.469  -1.281
   20    HA   TYR   3           HA       TYR   3  -5.560   5.784  -0.905
   21    HB2  TYR   3           2HB      TYR   3  -5.170   7.361  -3.449
   22    HB3  TYR   3           1HB      TYR   3  -5.268   5.605  -3.377
   23    HD1  TYR   3           1HD      TYR   3  -7.366   4.502  -2.771
   24    HD2  TYR   3           2HD      TYR   3  -7.105   8.720  -3.223
   25    HE1  TYR   3           1HE      TYR   3  -9.820   4.638  -2.896
   26    HE2  TYR   3           2HE      TYR   3  -9.543   8.873  -3.349
   27    HH   TYR   3           HH       TYR   3 -11.549   7.216  -2.386
   28    H    LYS   4           H        LYS   4  -3.179   8.213  -1.265
   29    HA   LYS   4           HA       LYS   4  -1.073   6.619  -2.205
   30    HB2  LYS   4           2HB      LYS   4   0.349   8.473  -1.569
   31    HB3  LYS   4           1HB      LYS   4  -1.133   9.083  -2.299
   32    HG2  LYS   4           2HG      LYS   4  -1.370   8.832   0.577
   33    HG3  LYS   4           1HG      LYS   4  -0.035   9.887   0.107
   34    HD2  LYS   4           2HD      LYS   4  -1.561  11.177  -1.310
   35    HD3  LYS   4           1HD      LYS   4  -2.891  10.120  -0.840
   36    HE2  LYS   4           2HE      LYS   4  -3.253  11.321   0.993
   37    HE3  LYS   4           1HE      LYS   4  -1.578  11.107   1.506
   38    HZ1  LYS   4           1HZ      LYS   4  -0.988  13.120   0.718
   39    HZ2  LYS   4           2HZ      LYS   4  -2.631  13.467   0.927
   40    HZ3  LYS   4           3HZ      LYS   4  -2.041  13.054  -0.604
   41    H    LYS   5           H        LYS   5  -2.413   7.146   0.951
   42    HA   LYS   5           HA       LYS   5  -0.185   5.846   2.266
   43    HB2  LYS   5           2HB      LYS   5  -1.467   6.105   4.325
   44    HB3  LYS   5           1HB      LYS   5  -1.406   7.625   3.447
   45    HG2  LYS   5           2HG      LYS   5  -3.729   6.234   2.622
   46    HG3  LYS   5           1HG      LYS   5  -3.666   6.198   4.383
   47    HD2  LYS   5           2HD      LYS   5  -3.189   8.741   2.870
   48    HD3  LYS   5           1HD      LYS   5  -4.826   8.190   3.231
   49    HE2  LYS   5           2HE      LYS   5  -4.613   8.571   5.462
   50    HE3  LYS   5           1HE      LYS   5  -2.885   8.219   5.468
   51    HZ1  LYS   5           1HZ      LYS   5  -3.125  10.488   3.957
   52    HZ2  LYS   5           2HZ      LYS   5  -2.592  10.406   5.559
   53    HZ3  LYS   5           3HZ      LYS   5  -4.218  10.730   5.226
   54    H    PHE   6           H        PHE   6  -3.478   5.088   1.256
   55    HA   PHE   6           HA       PHE   6  -3.415   2.468   2.405
   56    HB2  PHE   6           2HB      PHE   6  -5.250   3.090   0.140
   57    HB3  PHE   6           1HB      PHE   6  -5.557   2.154   1.596
   58    HD1  PHE   6           2HD      PHE   6  -4.774   4.050   3.702
   59    HD2  PHE   6           1HD      PHE   6  -6.911   4.669   0.075
   60    HE1  PHE   6           2HE      PHE   6  -5.893   6.005   4.697
   61    HE2  PHE   6           1HE      PHE   6  -8.029   6.620   1.061
   62    HZ   PHE   6           HZ       PHE   6  -7.515   7.293   3.368
   63    H    LYS   7           H        LYS   7  -2.653   3.843  -0.713
   64    HA   LYS   7           HA       LYS   7  -2.405   1.342  -2.034
   65    HB2  LYS   7           2HB      LYS   7  -1.248   2.533  -3.791
   66    HB3  LYS   7           1HB      LYS   7  -2.660   3.452  -3.287
   67    HG2  LYS   7           2HG      LYS   7  -1.164   5.136  -3.364
   68    HG3  LYS   7           1HG      LYS   7  -0.850   4.593  -1.714
   69    HD2  LYS   7           2HD      LYS   7   0.824   2.974  -3.044
   70    HD3  LYS   7           1HD      LYS   7   0.811   4.352  -4.148
   71    HE2  LYS   7           2HE      LYS   7   1.198   5.754  -2.011
   72    HE3  LYS   7           1HE      LYS   7   1.697   4.224  -1.293
   73    HZ1  LYS   7           1HZ      LYS   7   3.679   4.974  -2.098
   74    HZ2  LYS   7           2HZ      LYS   7   2.985   5.803  -3.399
   75    HZ3  LYS   7           3HZ      LYS   7   3.148   4.121  -3.460
   76    H    LYS   8           H        LYS   8  -0.388   3.340  -0.059
   77    HA   LYS   8           HA       LYS   8   2.111   2.282  -0.553
   78    HB2  LYS   8           2HB      LYS   8   2.747   3.617   1.127
   79    HB3  LYS   8           1HB      LYS   8   1.065   4.101   1.227
   80    HG2  LYS   8           2HG      LYS   8   0.675   2.522   2.995
   81    HG3  LYS   8           1HG      LYS   8   2.305   1.871   2.826
   82    HD2  LYS   8           2HD      LYS   8   3.277   3.692   3.827
   83    HD3  LYS   8           1HD      LYS   8   1.980   4.785   3.338
   84    HE2  LYS   8           2HE      LYS   8   1.545   2.599   5.350
   85    HE3  LYS   8           1HE      LYS   8   2.147   4.190   5.817
   86    HZ1  LYS   8           1HZ      LYS   8  -0.232   4.167   4.145
   87    HZ2  LYS   8           2HZ      LYS   8   0.149   5.143   5.474
   88    HZ3  LYS   8           3HZ      LYS   8  -0.433   3.574   5.718
   89    H    LYS   9           H        LYS   9  -0.242   1.316   1.874
   90    HA   LYS   9           HA       LYS   9   1.231  -0.948   2.681
   91    HB2  LYS   9           2HB      LYS   9  -1.759  -0.550   2.954
   92    HB3  LYS   9           1HB      LYS   9  -0.754  -1.636   3.904
   93    HG2  LYS   9           2HG      LYS   9  -0.257  -0.037   5.350
   94    HG3  LYS   9           1HG      LYS   9   0.240   1.055   4.060
   95    HD2  LYS   9           2HD      LYS   9  -1.595   2.275   4.363
   96    HD3  LYS   9           1HD      LYS   9  -2.604   0.867   4.028
   97    HE2  LYS   9           2HE      LYS   9  -2.907   2.057   6.281
   98    HE3  LYS   9           1HE      LYS   9  -2.770   0.299   6.286
   99    HZ1  LYS   9           1HZ      LYS   9  -0.251   1.686   6.536
  100    HZ2  LYS   9           2HZ      LYS   9  -0.861   0.380   7.421
  101    HZ3  LYS   9           3HZ      LYS   9  -1.314   1.959   7.825
  102    H    LEU  10           H        LEU  10  -0.685  -0.279  -0.039
  103    HA   LEU  10           HA       LEU  10  -1.195  -3.087  -0.605
  104    HB2  LEU  10           2HB      LEU  10  -2.049  -0.496  -1.745
  105    HB3  LEU  10           1HB      LEU  10  -1.852  -1.805  -2.897
  106    HG   LEU  10           HG       LEU  10  -3.278  -2.753  -0.626
  107   HD11  LEU  10          1HD1      LEU  10  -4.124  -0.638  -0.112
  108   HD12  LEU  10          2HD1      LEU  10  -5.374  -1.354  -1.128
  109   HD13  LEU  10          3HD1      LEU  10  -4.252  -0.175  -1.809
  110   HD21  LEU  10          1HD2      LEU  10  -5.056  -2.806  -2.656
  111   HD22  LEU  10          2HD2      LEU  10  -3.773  -3.994  -2.438
  112   HD23  LEU  10          3HD2      LEU  10  -3.547  -2.646  -3.552
  113    H    LEU  11           H        LEU  11   1.317  -1.007  -0.779
  114    HA   LEU  11           HA       LEU  11   2.386  -1.885  -3.308
  115    HB2  LEU  11           2HB      LEU  11   3.821  -0.498  -1.040
  116    HB3  LEU  11           1HB      LEU  11   4.400  -0.666  -2.687
  117    HG   LEU  11           HG       LEU  11   2.025   0.957  -1.799
  118   HD11  LEU  11          1HD1      LEU  11   3.327   2.831  -1.964
  119   HD12  LEU  11          2HD1      LEU  11   4.455   2.085  -3.097
  120   HD13  LEU  11          3HD1      LEU  11   4.521   1.671  -1.383
  121   HD21  LEU  11          1HD2      LEU  11   2.290  -0.226  -4.226
  122   HD22  LEU  11          2HD2      LEU  11   3.120   1.305  -4.503
  123   HD23  LEU  11          3HD2      LEU  11   1.448   1.297  -3.944
  124    H    LYS  12           H        LYS  12   3.163  -2.337   0.135
  125    HA   LYS  12           HA       LYS  12   5.034  -4.431  -0.442
  126    HB2  LYS  12           2HB      LYS  12   5.453  -4.497   1.803
  127    HB3  LYS  12           1HB      LYS  12   4.670  -2.928   1.747
  128    HG2  LYS  12           2HG      LYS  12   2.851  -5.196   2.175
  129    HG3  LYS  12           1HG      LYS  12   4.026  -4.921   3.457
  130    HD2  LYS  12           2HD      LYS  12   3.287  -2.438   3.240
  131    HD3  LYS  12           1HD      LYS  12   1.864  -3.125   2.454
  132    HE2  LYS  12           2HE      LYS  12   2.697  -4.368   4.998
  133    HE3  LYS  12           1HE      LYS  12   2.038  -2.734   5.100
  134    HZ1  LYS  12           1HZ      LYS  12   0.014  -3.420   4.217
  135    HZ2  LYS  12           2HZ      LYS  12   0.426  -4.677   5.272
  136    HZ3  LYS  12           3HZ      LYS  12   0.646  -4.866   3.607
  137    H    SER  13           H        SER  13   1.587  -4.212  -0.023
  138    HA   SER  13           HA       SER  13   1.279  -7.071   0.206
  139    HB2  SER  13           2HB      SER  13  -0.422  -5.943   1.362
  140    HB3  SER  13           1HB      SER  13  -0.632  -4.762   0.070
  141    HG   SER  13           HG       SER  13  -2.021  -6.046  -0.835
  142    H    LEU  14           H        LEU  14   1.646  -4.756  -2.236
  143    HA   LEU  14           HA       LEU  14   0.251  -6.115  -4.280
  144    HB2  LEU  14           2HB      LEU  14   0.683  -4.131  -5.239
  145    HB3  LEU  14           1HB      LEU  14   1.890  -3.758  -4.029
  146    HG   LEU  14           HG       LEU  14   2.719  -5.580  -6.215
  147   HD11  LEU  14          1HD1      LEU  14   2.469  -2.607  -6.631
  148   HD12  LEU  14          2HD1      LEU  14   1.381  -3.801  -7.335
  149   HD13  LEU  14          3HD1      LEU  14   3.087  -3.798  -7.777
  150   HD21  LEU  14          1HD2      LEU  14   4.000  -3.295  -4.731
  151   HD22  LEU  14          2HD2      LEU  14   4.788  -4.238  -5.995
  152   HD23  LEU  14          3HD2      LEU  14   4.296  -5.018  -4.493
  153    H    LYS  15           H        LYS  15   3.433  -6.299  -2.887
  154    HA   LYS  15           HA       LYS  15   4.351  -8.173  -4.870
  155    HB2  LYS  15           2HB      LYS  15   5.924  -6.574  -3.898
  156    HB3  LYS  15           1HB      LYS  15   5.654  -7.270  -2.308
  157    HG2  LYS  15           2HG      LYS  15   6.627  -8.993  -4.545
  158    HG3  LYS  15           1HG      LYS  15   7.750  -7.949  -3.672
  159    HD2  LYS  15           2HD      LYS  15   6.705  -9.033  -1.553
  160    HD3  LYS  15           1HD      LYS  15   6.163 -10.282  -2.672
  161    HE2  LYS  15           2HE      LYS  15   9.030  -9.397  -2.566
  162    HE3  LYS  15           1HE      LYS  15   8.404 -10.645  -1.489
  163    HZ1  LYS  15           1HZ      LYS  15   8.119 -12.108  -3.196
  164    HZ2  LYS  15           2HZ      LYS  15   9.456 -11.257  -3.785
  165    HZ3  LYS  15           3HZ      LYS  15   7.908 -10.903  -4.366
  166    H    ARG  16           H        ARG  16   4.633  -8.568  -1.363
  167    HA   ARG  16           HA       ARG  16   4.034 -11.390  -1.728
  168    HB2  ARG  16           2HB      ARG  16   6.028 -10.590  -0.421
  169    HB3  ARG  16           1HB      ARG  16   4.910 -10.013   0.805
  170    HG2  ARG  16           2HG      ARG  16   6.041 -12.346   1.049
  171    HG3  ARG  16           1HG      ARG  16   4.346 -12.131   1.491
  172    HD2  ARG  16           2HD      ARG  16   3.580 -13.227  -0.401
  173    HD3  ARG  16           1HD      ARG  16   5.073 -12.948  -1.288
  174    HE   ARG  16           HE       ARG  16   6.063 -14.759  -0.174
  175   HH11  ARG  16          1HH1      ARG  16   2.743 -14.291   0.828
  176   HH12  ARG  16          2HH1      ARG  16   2.596 -15.881   1.492
  177   HH21  ARG  16          1HH2      ARG  16   5.858 -16.844   0.696
  178   HH22  ARG  16          2HH2      ARG  16   4.361 -17.330   1.421
  179    H    LEU  17           H        LEU  17   2.156  -8.793  -1.189
  180    HA   LEU  17           HA       LEU  17  -0.042  -8.639  -0.547
  181    HB2  LEU  17           2HB      LEU  17  -1.299 -10.487  -0.269
  182    HB3  LEU  17           1HB      LEU  17   0.137 -11.325  -0.809
  183    HG   LEU  17           HG       LEU  17   0.601 -11.284   1.860
  184   HD11  LEU  17          1HD1      LEU  17  -1.232 -11.158   3.152
  185   HD12  LEU  17          2HD1      LEU  17  -2.233 -12.025   1.985
  186   HD13  LEU  17          3HD1      LEU  17  -1.939 -10.297   1.784
  187   HD21  LEU  17          1HD2      LEU  17   0.747 -13.256   0.500
  188   HD22  LEU  17          2HD2      LEU  17  -1.000 -13.278   0.263
  189   HD23  LEU  17          3HD2      LEU  17  -0.322 -13.598   1.860
  190    H    GLY  18           H        GLY  18   2.522  -8.150   0.863
  191    HA2  GLY  18           2HA      GLY  18   3.145  -7.130   2.838
  192    HA3  GLY  18           1HA      GLY  18   1.437  -7.020   3.233
  Start of MODEL    8
    1    H1   ALA   1           1HT      ALA   1  -7.811  13.595   0.297
    2    H2   ALA   1           2HT      ALA   1  -7.307  14.453  -1.102
    3    H3   ALA   1           3HT      ALA   1  -6.346  14.487   0.320
    4    HA   ALA   1           HA       ALA   1  -6.902  12.170  -1.406
    5    HB1  ALA   1           1HB      ALA   1  -4.577  12.267  -1.976
    6    HB2  ALA   1           2HB      ALA   1  -4.300  13.578  -0.828
    7    HB3  ALA   1           3HB      ALA   1  -5.285  13.856  -2.264
    8    H    LEU   2           H        LEU   2  -5.580  10.281  -0.806
    9    HA   LEU   2           HA       LEU   2  -4.294   9.962   1.636
   10    HB2  LEU   2           2HB      LEU   2  -6.248   8.466   2.620
   11    HB3  LEU   2           1HB      LEU   2  -6.094  10.172   3.003
   12    HG   LEU   2           HG       LEU   2  -7.679   9.776   0.608
   13   HD11  LEU   2          1HD1      LEU   2  -8.771   8.546   3.132
   14   HD12  LEU   2          2HD1      LEU   2  -8.192   7.630   1.741
   15   HD13  LEU   2          3HD1      LEU   2  -9.588   8.694   1.577
   16   HD21  LEU   2          1HD2      LEU   2  -7.728  11.306   3.118
   17   HD22  LEU   2          2HD2      LEU   2  -9.309  10.923   2.440
   18   HD23  LEU   2          3HD2      LEU   2  -8.127  11.803   1.474
   19    H    TYR   3           H        TYR   3  -6.265   8.542  -0.854
   20    HA   TYR   3           HA       TYR   3  -5.835   5.882  -0.587
   21    HB2  TYR   3           2HB      TYR   3  -6.050   7.615  -3.022
   22    HB3  TYR   3           1HB      TYR   3  -5.891   5.866  -3.150
   23    HD1  TYR   3           2HD      TYR   3  -7.550   6.260  -0.206
   24    HD2  TYR   3           1HD      TYR   3  -8.167   6.760  -4.376
   25    HE1  TYR   3           2HE      TYR   3  -9.939   6.000   0.130
   26    HE2  TYR   3           1HE      TYR   3 -10.572   6.507  -4.056
   27    HH   TYR   3           HH       TYR   3 -12.048   6.593  -0.976
   28    H    LYS   4           H        LYS   4  -3.465   8.205  -1.128
   29    HA   LYS   4           HA       LYS   4  -1.711   6.436  -2.527
   30    HB2  LYS   4           2HB      LYS   4  -0.197   8.311  -2.552
   31    HB3  LYS   4           1HB      LYS   4  -1.827   8.857  -2.943
   32    HG2  LYS   4           2HG      LYS   4  -1.489   9.058  -0.135
   33    HG3  LYS   4           1HG      LYS   4  -0.093   9.807  -0.915
   34    HD2  LYS   4           2HD      LYS   4  -1.388  11.387  -2.005
   35    HD3  LYS   4           1HD      LYS   4  -2.847  10.400  -1.915
   36    HE2  LYS   4           2HE      LYS   4  -3.467  11.434  -0.052
   37    HE3  LYS   4           1HE      LYS   4  -1.954  10.987   0.734
   38    HZ1  LYS   4           1HZ      LYS   4  -0.919  12.952  -0.137
   39    HZ2  LYS   4           2HZ      LYS   4  -2.339  13.402   0.664
   40    HZ3  LYS   4           3HZ      LYS   4  -2.301  13.354  -1.026
   41    H    LYS   5           H        LYS   5  -2.310   7.365   0.745
   42    HA   LYS   5           HA       LYS   5   0.168   6.259   1.726
   43    HB2  LYS   5           2HB      LYS   5  -0.615   6.800   3.913
   44    HB3  LYS   5           1HB      LYS   5  -1.071   8.133   2.867
   45    HG2  LYS   5           2HG      LYS   5  -3.271   6.458   2.801
   46    HG3  LYS   5           1HG      LYS   5  -2.724   6.385   4.474
   47    HD2  LYS   5           2HD      LYS   5  -3.261   8.919   2.928
   48    HD3  LYS   5           1HD      LYS   5  -4.370   8.181   4.084
   49    HE2  LYS   5           2HE      LYS   5  -3.380   9.420   5.648
   50    HE3  LYS   5           1HE      LYS   5  -1.978   8.365   5.469
   51    HZ1  LYS   5           1HZ      LYS   5  -1.481  10.014   3.503
   52    HZ2  LYS   5           2HZ      LYS   5  -1.017  10.373   5.089
   53    HZ3  LYS   5           3HZ      LYS   5  -2.416  11.068   4.440
   54    H    PHE   6           H        PHE   6  -3.196   5.277   1.396
   55    HA   PHE   6           HA       PHE   6  -2.669   2.768   2.696
   56    HB2  PHE   6           2HB      PHE   6  -4.939   2.319   2.610
   57    HB3  PHE   6           1HB      PHE   6  -4.872   4.061   2.764
   58    HD1  PHE   6           1HD      PHE   6  -4.063   3.821  -0.485
   59    HD2  PHE   6           2HD      PHE   6  -7.338   2.950   2.056
   60    HE1  PHE   6           1HE      PHE   6  -5.573   4.078  -2.383
   61    HE2  PHE   6           2HE      PHE   6  -8.874   3.212   0.153
   62    HZ   PHE   6           HZ       PHE   6  -7.971   3.803  -2.064
   63    H    LYS   7           H        LYS   7  -2.309   4.022  -0.425
   64    HA   LYS   7           HA       LYS   7  -2.587   1.532  -1.827
   65    HB2  LYS   7           2HB      LYS   7  -2.109   4.270  -2.549
   66    HB3  LYS   7           1HB      LYS   7  -0.834   3.283  -3.233
   67    HG2  LYS   7           2HG      LYS   7  -2.894   3.703  -4.666
   68    HG3  LYS   7           1HG      LYS   7  -2.314   2.042  -4.535
   69    HD2  LYS   7           2HD      LYS   7  -4.211   2.649  -2.446
   70    HD3  LYS   7           1HD      LYS   7  -4.900   2.973  -4.037
   71    HE2  LYS   7           2HE      LYS   7  -4.043   0.668  -4.695
   72    HE3  LYS   7           1HE      LYS   7  -3.772   0.397  -2.974
   73    HZ1  LYS   7           1HZ      LYS   7  -5.941   0.103  -2.610
   74    HZ2  LYS   7           2HZ      LYS   7  -6.080  -0.105  -4.283
   75    HZ3  LYS   7           3HZ      LYS   7  -6.399   1.404  -3.591
   76    H    LYS   8           H        LYS   8  -0.231   3.409  -0.164
   77    HA   LYS   8           HA       LYS   8   2.169   2.227  -0.909
   78    HB2  LYS   8           2HB      LYS   8   1.124   3.887   1.241
   79    HB3  LYS   8           1HB      LYS   8   2.441   2.844   1.776
   80    HG2  LYS   8           2HG      LYS   8   3.076   5.149   0.946
   81    HG3  LYS   8           1HG      LYS   8   3.944   3.789   0.222
   82    HD2  LYS   8           2HD      LYS   8   3.134   4.228  -1.810
   83    HD3  LYS   8           1HD      LYS   8   1.490   4.401  -1.188
   84    HE2  LYS   8           2HE      LYS   8   2.134   6.699  -0.406
   85    HE3  LYS   8           1HE      LYS   8   3.658   6.499  -1.269
   86    HZ1  LYS   8           1HZ      LYS   8   1.063   6.167  -2.641
   87    HZ2  LYS   8           2HZ      LYS   8   2.581   6.483  -3.317
   88    HZ3  LYS   8           3HZ      LYS   8   1.770   7.694  -2.458
   89    H    LYS   9           H        LYS   9   0.049   1.580   1.774
   90    HA   LYS   9           HA       LYS   9   1.400  -0.729   2.679
   91    HB2  LYS   9           2HB      LYS   9  -0.326  -1.031   4.194
   92    HB3  LYS   9           1HB      LYS   9  -0.477   0.684   3.845
   93    HG2  LYS   9           2HG      LYS   9  -2.080  -0.526   1.938
   94    HG3  LYS   9           1HG      LYS   9  -2.354  -1.476   3.399
   95    HD2  LYS   9           2HD      LYS   9  -2.309   1.365   3.958
   96    HD3  LYS   9           1HD      LYS   9  -3.520   0.958   2.743
   97    HE2  LYS   9           2HE      LYS   9  -3.244  -0.234   5.498
   98    HE3  LYS   9           1HE      LYS   9  -4.522   0.841   4.932
   99    HZ1  LYS   9           1HZ      LYS   9  -4.887  -1.021   3.189
  100    HZ2  LYS   9           2HZ      LYS   9  -5.501  -1.215   4.753
  101    HZ3  LYS   9           3HZ      LYS   9  -4.070  -1.997   4.303
  102    H    LEU  10           H        LEU  10  -0.757  -0.165   0.067
  103    HA   LEU  10           HA       LEU  10  -1.417  -2.954  -0.297
  104    HB2  LEU  10           2HB      LEU  10  -2.856  -0.991  -1.047
  105    HB3  LEU  10           1HB      LEU  10  -1.691  -0.745  -2.333
  106    HG   LEU  10           HG       LEU  10  -2.946  -3.433  -2.018
  107   HD11  LEU  10          1HD1      LEU  10  -4.599  -1.319  -2.085
  108   HD12  LEU  10          2HD1      LEU  10  -4.962  -2.865  -2.853
  109   HD13  LEU  10          3HD1      LEU  10  -4.314  -1.536  -3.813
  110   HD21  LEU  10          1HD2      LEU  10  -2.808  -2.791  -4.674
  111   HD22  LEU  10          2HD2      LEU  10  -1.584  -3.687  -3.776
  112   HD23  LEU  10          3HD2      LEU  10  -1.406  -1.949  -4.010
  113    H    LEU  11           H        LEU  11   1.258  -1.018  -0.834
  114    HA   LEU  11           HA       LEU  11   2.248  -2.299  -3.212
  115    HB2  LEU  11           2HB      LEU  11   3.862  -0.896  -1.086
  116    HB3  LEU  11           1HB      LEU  11   4.304  -1.154  -2.764
  117    HG   LEU  11           HG       LEU  11   2.063   0.635  -1.824
  118   HD11  LEU  11          1HD1      LEU  11   4.877   1.229  -2.737
  119   HD12  LEU  11          2HD1      LEU  11   4.143   1.622  -1.181
  120   HD13  LEU  11          3HD1      LEU  11   3.602   2.444  -2.645
  121   HD21  LEU  11          1HD2      LEU  11   3.050  -0.233  -4.492
  122   HD22  LEU  11          2HD2      LEU  11   2.506   1.435  -4.304
  123   HD23  LEU  11          3HD2      LEU  11   1.407   0.103  -3.945
  124    H    LYS  12           H        LYS  12   2.785  -2.471   0.259
  125    HA   LYS  12           HA       LYS  12   4.625  -4.586   0.285
  126    HB2  LYS  12           2HB      LYS  12   4.481  -3.716   2.390
  127    HB3  LYS  12           1HB      LYS  12   2.779  -3.318   2.218
  128    HG2  LYS  12           2HG      LYS  12   3.627  -6.161   2.536
  129    HG3  LYS  12           1HG      LYS  12   3.510  -5.099   3.939
  130    HD2  LYS  12           2HD      LYS  12   1.155  -4.556   2.776
  131    HD3  LYS  12           1HD      LYS  12   1.381  -6.213   2.212
  132    HE2  LYS  12           2HE      LYS  12   1.708  -6.943   4.533
  133    HE3  LYS  12           1HE      LYS  12   1.446  -5.288   5.082
  134    HZ1  LYS  12           1HZ      LYS  12  -0.743  -5.542   4.947
  135    HZ2  LYS  12           2HZ      LYS  12  -0.471  -7.200   4.764
  136    HZ3  LYS  12           3HZ      LYS  12  -0.669  -6.222   3.399
  137    H    SER  13           H        SER  13   1.103  -4.478   0.100
  138    HA   SER  13           HA       SER  13   0.719  -7.299   0.325
  139    HB2  SER  13           2HB      SER  13  -1.554  -6.879  -0.207
  140    HB3  SER  13           1HB      SER  13  -1.032  -5.437   0.663
  141    HG   SER  13           HG       SER  13  -1.453  -5.780  -2.106
  142    H    LEU  14           H        LEU  14   1.210  -5.035  -2.309
  143    HA   LEU  14           HA       LEU  14   0.716  -6.808  -4.449
  144    HB2  LEU  14           2HB      LEU  14   0.839  -4.795  -5.424
  145    HB3  LEU  14           1HB      LEU  14   1.731  -4.116  -4.080
  146    HG   LEU  14           HG       LEU  14   3.235  -5.810  -6.017
  147   HD11  LEU  14          1HD1      LEU  14   1.897  -4.426  -7.491
  148   HD12  LEU  14          2HD1      LEU  14   3.573  -3.874  -7.490
  149   HD13  LEU  14          3HD1      LEU  14   2.351  -2.985  -6.581
  150   HD21  LEU  14          1HD2      LEU  14   4.636  -5.042  -4.368
  151   HD22  LEU  14          2HD2      LEU  14   3.756  -3.527  -4.176
  152   HD23  LEU  14          3HD2      LEU  14   4.812  -3.764  -5.568
  153    H    LYS  15           H        LYS  15   3.600  -5.986  -2.602
  154    HA   LYS  15           HA       LYS  15   5.566  -7.266  -4.043
  155    HB2  LYS  15           2HB      LYS  15   6.057  -5.933  -2.058
  156    HB3  LYS  15           1HB      LYS  15   5.262  -7.120  -1.036
  157    HG2  LYS  15           2HG      LYS  15   7.518  -8.030  -2.740
  158    HG3  LYS  15           1HG      LYS  15   7.881  -7.057  -1.314
  159    HD2  LYS  15           2HD      LYS  15   6.439  -8.691  -0.010
  160    HD3  LYS  15           1HD      LYS  15   6.481  -9.718  -1.442
  161    HE2  LYS  15           2HE      LYS  15   8.195 -10.340   0.211
  162    HE3  LYS  15           1HE      LYS  15   8.892  -9.842  -1.330
  163    HZ1  LYS  15           1HZ      LYS  15   8.574  -7.913   0.882
  164    HZ2  LYS  15           2HZ      LYS  15   9.623  -7.842  -0.443
  165    HZ3  LYS  15           3HZ      LYS  15   9.919  -8.937   0.812
  166    H    ARG  16           H        ARG  16   3.857  -8.698  -1.258
  167    HA   ARG  16           HA       ARG  16   4.554 -11.358  -2.228
  168    HB2  ARG  16           2HB      ARG  16   4.707 -10.611   0.226
  169    HB3  ARG  16           1HB      ARG  16   2.954 -10.754   0.254
  170    HG2  ARG  16           2HG      ARG  16   3.435 -13.136  -0.707
  171    HG3  ARG  16           1HG      ARG  16   5.026 -12.874   0.010
  172    HD2  ARG  16           2HD      ARG  16   4.250 -13.221   2.069
  173    HD3  ARG  16           1HD      ARG  16   2.893 -12.126   1.819
  174    HE   ARG  16           HE       ARG  16   1.598 -13.980   1.651
  175   HH11  ARG  16          1HH1      ARG  16   4.791 -14.815   0.503
  176   HH12  ARG  16          2HH1      ARG  16   4.362 -16.450   0.130
  177   HH21  ARG  16          1HH2      ARG  16   1.039 -16.128   1.170
  178   HH22  ARG  16          2HH2      ARG  16   2.232 -17.198   0.514
  179    H    LEU  17           H        LEU  17   1.549 -10.067  -0.827
  180    HA   LEU  17           HA       LEU  17  -0.206 -10.168  -2.865
  181    HB2  LEU  17           2HB      LEU  17  -1.253 -12.468  -2.638
  182    HB3  LEU  17           1HB      LEU  17   0.265 -12.386  -3.508
  183    HG   LEU  17           HG       LEU  17   1.412 -13.113  -1.377
  184   HD11  LEU  17          1HD1      LEU  17  -0.129 -12.603   0.308
  185   HD12  LEU  17          2HD1      LEU  17  -0.161 -14.362   0.190
  186   HD13  LEU  17          3HD1      LEU  17  -1.453 -13.407  -0.537
  187   HD21  LEU  17          1HD2      LEU  17   0.444 -15.507  -1.588
  188   HD22  LEU  17          2HD2      LEU  17   1.255 -14.782  -2.976
  189   HD23  LEU  17          3HD2      LEU  17  -0.507 -14.825  -2.907
  190    H    GLY  18           H        GLY  18   0.159  -9.009  -0.303
  191    HA2  GLY  18           2HA      GLY  18  -1.384  -8.102   1.196
  192    HA3  GLY  18           1HA      GLY  18  -2.530  -9.353   0.739
  Start of MODEL    9
    1    H1   ALA   1           1HT      ALA   1  -7.293  13.980   0.754
    2    H2   ALA   1           2HT      ALA   1  -8.647  13.082   0.201
    3    H3   ALA   1           3HT      ALA   1  -7.862  14.188  -0.851
    4    HA   ALA   1           HA       ALA   1  -7.374  11.816  -1.226
    5    HB1  ALA   1           1HB      ALA   1  -5.138  12.252  -1.815
    6    HB2  ALA   1           2HB      ALA   1  -4.946  13.439  -0.525
    7    HB3  ALA   1           3HB      ALA   1  -5.964  13.807  -1.917
    8    H    LEU   2           H        LEU   2  -6.102  10.015  -0.582
    9    HA   LEU   2           HA       LEU   2  -4.756   9.838   1.891
   10    HB2  LEU   2           2HB      LEU   2  -6.670   8.016   2.572
   11    HB3  LEU   2           1HB      LEU   2  -6.470   9.600   3.293
   12    HG   LEU   2           HG       LEU   2  -8.109   9.633   0.866
   13   HD11  LEU   2          1HD1      LEU   2 -10.067   8.732   2.404
   14   HD12  LEU   2          2HD1      LEU   2  -8.751   7.765   3.074
   15   HD13  LEU   2          3HD1      LEU   2  -9.130   7.667   1.355
   16   HD21  LEU   2          1HD2      LEU   2  -7.778  11.101   3.267
   17   HD22  LEU   2          2HD2      LEU   2  -9.450  10.543   3.203
   18   HD23  LEU   2          3HD2      LEU   2  -8.785  11.488   1.872
   19    H    TYR   3           H        TYR   3  -6.554   8.153  -0.584
   20    HA   TYR   3           HA       TYR   3  -5.801   5.574  -0.425
   21    HB2  TYR   3           2HB      TYR   3  -5.781   7.333  -2.870
   22    HB3  TYR   3           1HB      TYR   3  -5.531   5.592  -2.947
   23    HD1  TYR   3           2HD      TYR   3  -7.336   4.051  -2.381
   24    HD2  TYR   3           1HD      TYR   3  -7.917   8.258  -2.454
   25    HE1  TYR   3           2HE      TYR   3  -9.770   3.711  -2.419
   26    HE2  TYR   3           1HE      TYR   3 -10.336   7.943  -2.489
   27    HH   TYR   3           HH       TYR   3 -11.979   6.113  -1.763
   28    H    LYS   4           H        LYS   4  -3.799   8.259  -1.255
   29    HA   LYS   4           HA       LYS   4  -1.613   7.025  -2.306
   30    HB2  LYS   4           2HB      LYS   4  -0.321   8.952  -1.596
   31    HB3  LYS   4           1HB      LYS   4  -1.903   9.436  -2.190
   32    HG2  LYS   4           2HG      LYS   4  -1.787   9.009   0.704
   33    HG3  LYS   4           1HG      LYS   4  -0.768  10.316   0.109
   34    HD2  LYS   4           2HD      LYS   4  -2.754  11.203  -1.119
   35    HD3  LYS   4           1HD      LYS   4  -3.733   9.977  -0.312
   36    HE2  LYS   4           2HE      LYS   4  -4.034  11.505   1.288
   37    HE3  LYS   4           1HE      LYS   4  -2.380  11.134   1.774
   38    HZ1  LYS   4           1HZ      LYS   4  -1.566  13.010   0.738
   39    HZ2  LYS   4           2HZ      LYS   4  -3.048  13.567   1.335
   40    HZ3  LYS   4           3HZ      LYS   4  -2.894  13.161  -0.300
   41    H    LYS   5           H        LYS   5  -2.452   7.387   1.071
   42    HA   LYS   5           HA       LYS   5  -0.081   6.043   1.993
   43    HB2  LYS   5           2HB      LYS   5  -1.142   6.069   4.186
   44    HB3  LYS   5           1HB      LYS   5  -1.274   7.649   3.432
   45    HG2  LYS   5           2HG      LYS   5  -3.573   6.161   2.736
   46    HG3  LYS   5           1HG      LYS   5  -3.326   5.997   4.472
   47    HD2  LYS   5           2HD      LYS   5  -3.208   8.669   3.106
   48    HD3  LYS   5           1HD      LYS   5  -4.738   7.970   3.640
   49    HE2  LYS   5           2HE      LYS   5  -4.220   8.182   5.858
   50    HE3  LYS   5           1HE      LYS   5  -2.484   8.068   5.575
   51    HZ1  LYS   5           1HZ      LYS   5  -3.772  10.401   4.439
   52    HZ2  LYS   5           2HZ      LYS   5  -2.305  10.270   5.270
   53    HZ3  LYS   5           3HZ      LYS   5  -3.759  10.347   6.130
   54    H    PHE   6           H        PHE   6  -3.332   5.199   1.080
   55    HA   PHE   6           HA       PHE   6  -3.218   2.570   2.139
   56    HB2  PHE   6           2HB      PHE   6  -5.036   3.446  -0.095
   57    HB3  PHE   6           1HB      PHE   6  -5.298   2.138   1.053
   58    HD1  PHE   6           2HD      PHE   6  -4.223   4.023   3.399
   59    HD2  PHE   6           1HD      PHE   6  -7.253   4.315   0.426
   60    HE1  PHE   6           2HE      PHE   6  -5.483   5.569   4.839
   61    HE2  PHE   6           1HE      PHE   6  -8.518   5.858   1.861
   62    HZ   PHE   6           HZ       PHE   6  -7.628   6.491   4.063
   63    H    LYS   7           H        LYS   7  -2.235   3.959  -0.901
   64    HA   LYS   7           HA       LYS   7  -2.019   1.470  -2.263
   65    HB2  LYS   7           2HB      LYS   7  -0.196   3.772  -2.851
   66    HB3  LYS   7           1HB      LYS   7  -0.819   2.563  -3.956
   67    HG2  LYS   7           2HG      LYS   7  -2.872   3.611  -4.164
   68    HG3  LYS   7           1HG      LYS   7  -2.669   4.520  -2.670
   69    HD2  LYS   7           2HD      LYS   7  -1.433   5.005  -5.352
   70    HD3  LYS   7           1HD      LYS   7  -2.321   6.128  -4.321
   71    HE2  LYS   7           2HE      LYS   7  -0.354   5.740  -2.663
   72    HE3  LYS   7           1HE      LYS   7   0.505   5.172  -4.094
   73    HZ1  LYS   7           1HZ      LYS   7  -0.582   7.509  -4.927
   74    HZ2  LYS   7           2HZ      LYS   7   1.010   7.310  -4.393
   75    HZ3  LYS   7           3HZ      LYS   7  -0.176   7.856  -3.321
   76    H    LYS   8           H        LYS   8  -0.015   3.407  -0.193
   77    HA   LYS   8           HA       LYS   8   2.461   2.237  -0.381
   78    HB2  LYS   8           2HB      LYS   8   0.927   3.558   1.773
   79    HB3  LYS   8           1HB      LYS   8   2.307   2.605   2.291
   80    HG2  LYS   8           2HG      LYS   8   2.829   4.979   1.975
   81    HG3  LYS   8           1HG      LYS   8   3.782   3.926   0.926
   82    HD2  LYS   8           2HD      LYS   8   1.595   4.457  -0.624
   83    HD3  LYS   8           1HD      LYS   8   1.805   5.976   0.250
   84    HE2  LYS   8           2HE      LYS   8   4.334   5.593  -0.418
   85    HE3  LYS   8           1HE      LYS   8   3.601   4.643  -1.710
   86    HZ1  LYS   8           1HZ      LYS   8   2.743   7.414  -1.136
   87    HZ2  LYS   8           2HZ      LYS   8   2.491   6.507  -2.540
   88    HZ3  LYS   8           3HZ      LYS   8   4.038   7.080  -2.172
   89    H    LYS   9           H        LYS   9  -0.121   1.364   1.810
   90    HA   LYS   9           HA       LYS   9   1.079  -1.041   2.704
   91    HB2  LYS   9           2HB      LYS   9  -1.854  -0.293   2.710
   92    HB3  LYS   9           1HB      LYS   9  -1.112  -1.566   3.673
   93    HG2  LYS   9           2HG      LYS   9  -0.757  -0.092   5.284
   94    HG3  LYS   9           1HG      LYS   9   0.341   0.775   4.211
   95    HD2  LYS   9           2HD      LYS   9  -1.836   1.828   3.265
   96    HD3  LYS   9           1HD      LYS   9  -2.544   1.301   4.794
   97    HE2  LYS   9           2HE      LYS   9  -0.233   3.190   4.381
   98    HE3  LYS   9           1HE      LYS   9  -1.811   3.554   5.076
   99    HZ1  LYS   9           1HZ      LYS   9   0.514   2.331   6.299
  100    HZ2  LYS   9           2HZ      LYS   9  -0.966   1.619   6.704
  101    HZ3  LYS   9           3HZ      LYS   9  -0.713   3.266   6.995
  102    H    LEU  10           H        LEU  10  -0.549  -0.216  -0.165
  103    HA   LEU  10           HA       LEU  10  -1.154  -2.996  -0.781
  104    HB2  LEU  10           2HB      LEU  10  -2.031  -0.408  -1.788
  105    HB3  LEU  10           1HB      LEU  10  -1.594  -1.506  -3.087
  106    HG   LEU  10           HG       LEU  10  -3.158  -2.919  -1.174
  107   HD11  LEU  10          1HD1      LEU  10  -4.999  -1.679  -0.779
  108   HD12  LEU  10          2HD1      LEU  10  -4.884  -0.819  -2.315
  109   HD13  LEU  10          3HD1      LEU  10  -3.864  -0.340  -0.958
  110   HD21  LEU  10          1HD2      LEU  10  -4.345  -3.620  -3.035
  111   HD22  LEU  10          2HD2      LEU  10  -2.775  -3.204  -3.722
  112   HD23  LEU  10          3HD2      LEU  10  -4.128  -2.085  -3.877
  113    H    LEU  11           H        LEU  11   1.451  -1.067  -0.752
  114    HA   LEU  11           HA       LEU  11   2.643  -1.944  -3.241
  115    HB2  LEU  11           2HB      LEU  11   3.946  -0.579  -0.877
  116    HB3  LEU  11           1HB      LEU  11   4.645  -0.775  -2.473
  117    HG   LEU  11           HG       LEU  11   2.272   0.937  -1.752
  118   HD11  LEU  11          1HD1      LEU  11   3.736   2.780  -2.449
  119   HD12  LEU  11          2HD1      LEU  11   5.053   1.630  -2.685
  120   HD13  LEU  11          3HD1      LEU  11   4.391   1.895  -1.072
  121   HD21  LEU  11          1HD2      LEU  11   2.806  -0.308  -4.201
  122   HD22  LEU  11          2HD2      LEU  11   3.328   1.364  -4.393
  123   HD23  LEU  11          3HD2      LEU  11   1.675   1.007  -3.891
  124    H    LYS  12           H        LYS  12   3.012  -2.487   0.240
  125    HA   LYS  12           HA       LYS  12   4.903  -4.613  -0.116
  126    HB2  LYS  12           2HB      LYS  12   5.075  -4.604   2.146
  127    HB3  LYS  12           1HB      LYS  12   4.164  -3.109   2.040
  128    HG2  LYS  12           2HG      LYS  12   2.431  -5.445   2.159
  129    HG3  LYS  12           1HG      LYS  12   3.516  -5.333   3.542
  130    HD2  LYS  12           2HD      LYS  12   2.777  -2.942   3.789
  131    HD3  LYS  12           1HD      LYS  12   1.549  -3.275   2.569
  132    HE2  LYS  12           2HE      LYS  12   1.774  -5.046   4.963
  133    HE3  LYS  12           1HE      LYS  12   0.973  -3.482   5.109
  134    HZ1  LYS  12           1HZ      LYS  12  -0.627  -4.105   3.501
  135    HZ2  LYS  12           2HZ      LYS  12  -0.513  -5.403   4.581
  136    HZ3  LYS  12           3HZ      LYS  12   0.229  -5.498   3.064
  137    H    SER  13           H        SER  13   1.430  -4.300   0.005
  138    HA   SER  13           HA       SER  13   0.993  -7.136   0.141
  139    HB2  SER  13           2HB      SER  13  -1.226  -6.637   0.411
  140    HB3  SER  13           1HB      SER  13  -0.576  -5.051   0.822
  141    HG   SER  13           HG       SER  13  -1.662  -5.910  -1.648
  142    H    LEU  14           H        LEU  14   1.599  -4.789  -2.269
  143    HA   LEU  14           HA       LEU  14   0.404  -6.161  -4.425
  144    HB2  LEU  14           2HB      LEU  14   0.910  -4.166  -5.332
  145    HB3  LEU  14           1HB      LEU  14   2.042  -3.812  -4.044
  146    HG   LEU  14           HG       LEU  14   3.034  -5.663  -6.120
  147   HD11  LEU  14          1HD1      LEU  14   2.694  -2.734  -6.725
  148   HD12  LEU  14          2HD1      LEU  14   1.718  -4.022  -7.431
  149   HD13  LEU  14          3HD1      LEU  14   3.451  -3.955  -7.748
  150   HD21  LEU  14          1HD2      LEU  14   5.027  -4.175  -5.859
  151   HD22  LEU  14          2HD2      LEU  14   4.514  -4.988  -4.379
  152   HD23  LEU  14          3HD2      LEU  14   4.125  -3.287  -4.630
  153    H    LYS  15           H        LYS  15   3.458  -6.333  -2.769
  154    HA   LYS  15           HA       LYS  15   4.592  -8.146  -4.684
  155    HB2  LYS  15           2HB      LYS  15   6.020  -6.571  -3.483
  156    HB3  LYS  15           1HB      LYS  15   5.570  -7.318  -1.958
  157    HG2  LYS  15           2HG      LYS  15   6.821  -8.969  -4.106
  158    HG3  LYS  15           1HG      LYS  15   7.822  -7.926  -3.093
  159    HD2  LYS  15           2HD      LYS  15   6.557  -9.063  -1.123
  160    HD3  LYS  15           1HD      LYS  15   6.174 -10.304  -2.319
  161    HE2  LYS  15           2HE      LYS  15   8.872  -9.452  -1.312
  162    HE3  LYS  15           1HE      LYS  15   8.135 -11.055  -1.269
  163    HZ1  LYS  15           1HZ      LYS  15   9.647  -9.797  -3.357
  164    HZ2  LYS  15           2HZ      LYS  15   8.193 -10.456  -3.915
  165    HZ3  LYS  15           3HZ      LYS  15   9.307 -11.436  -3.106
  166    H    ARG  16           H        ARG  16   4.478  -8.674  -1.187
  167    HA   ARG  16           HA       ARG  16   3.983 -11.492  -1.701
  168    HB2  ARG  16           2HB      ARG  16   5.780 -10.777  -0.142
  169    HB3  ARG  16           1HB      ARG  16   4.549 -10.123   0.929
  170    HG2  ARG  16           2HG      ARG  16   5.543 -12.496   1.355
  171    HG3  ARG  16           1HG      ARG  16   3.821 -12.195   1.591
  172    HD2  ARG  16           2HD      ARG  16   3.338 -13.107  -0.608
  173    HD3  ARG  16           1HD      ARG  16   5.058 -13.351  -0.905
  174    HE   ARG  16           HE       ARG  16   4.225 -14.703   1.452
  175   HH11  ARG  16          1HH1      ARG  16   4.158 -14.914  -2.032
  176   HH12  ARG  16          2HH1      ARG  16   4.030 -16.640  -2.049
  177   HH21  ARG  16          1HH2      ARG  16   4.057 -16.970   1.432
  178   HH22  ARG  16          2HH2      ARG  16   3.971 -17.810  -0.081
  179    H    LEU  17           H        LEU  17   1.978  -8.945  -1.350
  180    HA   LEU  17           HA       LEU  17  -0.290  -8.873  -0.973
  181    HB2  LEU  17           2HB      LEU  17  -1.499 -10.777  -0.927
  182    HB3  LEU  17           1HB      LEU  17   0.027 -11.534  -1.328
  183    HG   LEU  17           HG       LEU  17   0.126 -11.548   1.406
  184   HD11  LEU  17          1HD1      LEU  17  -1.884 -11.650   2.393
  185   HD12  LEU  17          2HD1      LEU  17  -2.599 -12.557   1.060
  186   HD13  LEU  17          3HD1      LEU  17  -2.455 -10.805   0.954
  187   HD21  LEU  17          1HD2      LEU  17   0.704 -13.531   0.468
  188   HD22  LEU  17          2HD2      LEU  17  -0.622 -13.495  -0.695
  189   HD23  LEU  17          3HD2      LEU  17  -0.930 -13.953   0.980
  190    H    GLY  18           H        GLY  18   2.056  -8.402   0.803
  191    HA2  GLY  18           2HA      GLY  18   2.271  -7.351   2.861
  192    HA3  GLY  18           1HA      GLY  18   0.551  -7.591   3.127
  Start of MODEL   10
    1    H1   ALA   1           1HT      ALA   1  -7.040  12.884   1.681
    2    H2   ALA   1           2HT      ALA   1  -6.448  13.871   0.407
    3    H3   ALA   1           3HT      ALA   1  -5.423  13.450   1.718
    4    HA   ALA   1           HA       ALA   1  -6.382  11.822  -0.504
    5    HB1  ALA   1           1HB      ALA   1  -4.206  11.676  -1.066
    6    HB2  ALA   1           2HB      ALA   1  -3.672  11.564   0.611
    7    HB3  ALA   1           3HB      ALA   1  -4.061  13.135  -0.086
    8    H    LEU   2           H        LEU   2  -5.615   9.506  -0.351
    9    HA   LEU   2           HA       LEU   2  -5.401   8.346   2.258
   10    HB2  LEU   2           2HB      LEU   2  -7.576   6.907   1.175
   11    HB3  LEU   2           1HB      LEU   2  -7.524   7.829   2.663
   12    HG   LEU   2           HG       LEU   2  -8.047   9.301   0.121
   13   HD11  LEU   2          1HD1      LEU   2 -10.339   8.747   0.068
   14   HD12  LEU   2          2HD1      LEU   2 -10.239   7.861   1.589
   15   HD13  LEU   2          3HD1      LEU   2  -9.473   7.213   0.139
   16   HD21  LEU   2          1HD2      LEU   2  -8.388  10.917   1.605
   17   HD22  LEU   2          2HD2      LEU   2  -8.176   9.785   2.940
   18   HD23  LEU   2          3HD2      LEU   2  -9.772  10.017   2.227
   19    H    TYR   3           H        TYR   3  -6.233   7.665  -1.092
   20    HA   TYR   3           HA       TYR   3  -5.281   5.064  -1.241
   21    HB2  TYR   3           2HB      TYR   3  -4.932   6.934  -3.555
   22    HB3  TYR   3           1HB      TYR   3  -5.358   5.229  -3.565
   23    HD1  TYR   3           1HD      TYR   3  -6.639   8.607  -2.802
   24    HD2  TYR   3           2HD      TYR   3  -7.584   4.543  -3.551
   25    HE1  TYR   3           1HE      TYR   3  -9.009   9.206  -2.978
   26    HE2  TYR   3           2HE      TYR   3  -9.962   5.110  -3.729
   27    HH   TYR   3           HH       TYR   3 -11.308   7.773  -2.602
   28    H    LYS   4           H        LYS   4  -3.498   7.938  -0.766
   29    HA   LYS   4           HA       LYS   4  -1.151   6.914  -2.012
   30    HB2  LYS   4           2HB      LYS   4  -1.041   9.085   0.038
   31    HB3  LYS   4           1HB      LYS   4  -0.026   8.868  -1.374
   32    HG2  LYS   4           2HG      LYS   4  -2.623  10.226  -1.073
   33    HG3  LYS   4           1HG      LYS   4  -1.231  10.642  -2.065
   34    HD2  LYS   4           2HD      LYS   4  -2.382   9.908  -3.817
   35    HD3  LYS   4           1HD      LYS   4  -2.205   8.276  -3.170
   36    HE2  LYS   4           2HE      LYS   4  -4.328   8.200  -2.439
   37    HE3  LYS   4           1HE      LYS   4  -4.333   9.883  -1.946
   38    HZ1  LYS   4           1HZ      LYS   4  -5.153   8.692  -4.455
   39    HZ2  LYS   4           2HZ      LYS   4  -4.253  10.116  -4.608
   40    HZ3  LYS   4           3HZ      LYS   4  -5.684  10.113  -3.706
   41    H    LYS   5           H        LYS   5  -2.284   7.277   1.273
   42    HA   LYS   5           HA       LYS   5   0.060   5.969   2.243
   43    HB2  LYS   5           2HB      LYS   5  -1.131   6.017   4.465
   44    HB3  LYS   5           1HB      LYS   5  -0.872   7.590   3.724
   45    HG2  LYS   5           2HG      LYS   5  -3.410   6.444   2.946
   46    HG3  LYS   5           1HG      LYS   5  -3.259   6.583   4.697
   47    HD2  LYS   5           2HD      LYS   5  -2.303   8.986   3.967
   48    HD3  LYS   5           1HD      LYS   5  -3.412   8.689   2.627
   49    HE2  LYS   5           2HE      LYS   5  -5.238   8.333   4.196
   50    HE3  LYS   5           1HE      LYS   5  -4.136   8.557   5.554
   51    HZ1  LYS   5           1HZ      LYS   5  -4.716  10.630   3.507
   52    HZ2  LYS   5           2HZ      LYS   5  -3.796  10.826   4.912
   53    HZ3  LYS   5           3HZ      LYS   5  -5.460  10.549   5.025
   54    H    PHE   6           H        PHE   6  -3.206   5.102   1.455
   55    HA   PHE   6           HA       PHE   6  -2.839   2.470   2.554
   56    HB2  PHE   6           2HB      PHE   6  -5.082   2.226   2.482
   57    HB3  PHE   6           1HB      PHE   6  -5.009   3.977   2.395
   58    HD1  PHE   6           1HD      PHE   6  -4.776   1.201  -0.124
   59    HD2  PHE   6           2HD      PHE   6  -6.591   4.853   1.090
   60    HE1  PHE   6           1HE      PHE   6  -6.142   1.198  -2.164
   61    HE2  PHE   6           2HE      PHE   6  -7.963   4.851  -0.948
   62    HZ   PHE   6           HZ       PHE   6  -7.727   3.031  -2.569
   63    H    LYS   7           H        LYS   7  -2.450   3.989  -0.548
   64    HA   LYS   7           HA       LYS   7  -2.505   1.482  -1.972
   65    HB2  LYS   7           2HB      LYS   7  -2.817   3.468  -3.305
   66    HB3  LYS   7           1HB      LYS   7  -1.303   4.147  -2.722
   67    HG2  LYS   7           2HG      LYS   7  -0.650   1.670  -3.855
   68    HG3  LYS   7           1HG      LYS   7  -1.784   2.434  -4.968
   69    HD2  LYS   7           2HD      LYS   7   0.606   2.968  -5.428
   70    HD3  LYS   7           1HD      LYS   7  -0.403   4.385  -5.137
   71    HE2  LYS   7           2HE      LYS   7   0.557   3.659  -2.618
   72    HE3  LYS   7           1HE      LYS   7   1.929   3.450  -3.706
   73    HZ1  LYS   7           1HZ      LYS   7   0.969   5.809  -4.517
   74    HZ2  LYS   7           2HZ      LYS   7   2.191   5.635  -3.360
   75    HZ3  LYS   7           3HZ      LYS   7   0.590   5.873  -2.868
   76    H    LYS   8           H        LYS   8  -0.289   3.446  -0.184
   77    HA   LYS   8           HA       LYS   8   2.178   2.318  -0.819
   78    HB2  LYS   8           2HB      LYS   8   0.965   3.851   1.357
   79    HB3  LYS   8           1HB      LYS   8   2.285   2.816   1.898
   80    HG2  LYS   8           2HG      LYS   8   2.846   5.207   1.209
   81    HG3  LYS   8           1HG      LYS   8   3.846   3.911   0.543
   82    HD2  LYS   8           2HD      LYS   8   3.170   4.311  -1.551
   83    HD3  LYS   8           1HD      LYS   8   1.483   4.491  -1.058
   84    HE2  LYS   8           2HE      LYS   8   1.708   6.677  -1.449
   85    HE3  LYS   8           1HE      LYS   8   2.764   6.745  -0.039
   86    HZ1  LYS   8           1HZ      LYS   8   4.001   5.891  -2.529
   87    HZ2  LYS   8           2HZ      LYS   8   4.601   6.897  -1.310
   88    HZ3  LYS   8           3HZ      LYS   8   3.522   7.513  -2.457
   89    H    LYS   9           H        LYS   9  -0.208   1.524   1.571
   90    HA   LYS   9           HA       LYS   9   1.057  -0.804   2.566
   91    HB2  LYS   9           2HB      LYS   9  -1.604   0.461   2.836
   92    HB3  LYS   9           1HB      LYS   9  -1.569  -1.277   3.091
   93    HG2  LYS   9           2HG      LYS   9  -1.246  -0.485   5.217
   94    HG3  LYS   9           1HG      LYS   9   0.414  -0.740   4.679
   95    HD2  LYS   9           2HD      LYS   9   0.758   1.370   5.346
   96    HD3  LYS   9           1HD      LYS   9  -0.077   1.827   3.861
   97    HE2  LYS   9           2HE      LYS   9  -1.036   3.013   5.734
   98    HE3  LYS   9           1HE      LYS   9  -2.207   1.857   5.102
   99    HZ1  LYS   9           1HZ      LYS   9  -0.494   0.910   7.255
  100    HZ2  LYS   9           2HZ      LYS   9  -2.138   0.628   6.975
  101    HZ3  LYS   9           3HZ      LYS   9  -1.638   2.083   7.678
  102    H    LEU  10           H        LEU  10  -0.715  -0.135  -0.282
  103    HA   LEU  10           HA       LEU  10  -1.306  -2.938  -0.776
  104    HB2  LEU  10           2HB      LEU  10  -2.701  -0.822  -1.516
  105    HB3  LEU  10           1HB      LEU  10  -1.581  -0.813  -2.866
  106    HG   LEU  10           HG       LEU  10  -2.846  -3.409  -2.280
  107   HD11  LEU  10          1HD1      LEU  10  -4.410  -0.981  -3.009
  108   HD12  LEU  10          2HD1      LEU  10  -4.853  -2.340  -1.976
  109   HD13  LEU  10          3HD1      LEU  10  -4.843  -2.530  -3.730
  110   HD21  LEU  10          1HD2      LEU  10  -3.186  -2.924  -4.913
  111   HD22  LEU  10          2HD2      LEU  10  -1.724  -3.623  -4.220
  112   HD23  LEU  10          3HD2      LEU  10  -1.793  -1.897  -4.575
  113    H    LEU  11           H        LEU  11   1.318  -0.968  -0.934
  114    HA   LEU  11           HA       LEU  11   2.461  -1.994  -3.389
  115    HB2  LEU  11           2HB      LEU  11   3.833  -0.528  -1.132
  116    HB3  LEU  11           1HB      LEU  11   4.455  -0.774  -2.753
  117    HG   LEU  11           HG       LEU  11   2.098   0.935  -1.979
  118   HD11  LEU  11          1HD1      LEU  11   3.654   2.677  -3.079
  119   HD12  LEU  11          2HD1      LEU  11   4.927   1.490  -2.797
  120   HD13  LEU  11          3HD1      LEU  11   4.013   2.144  -1.438
  121   HD21  LEU  11          1HD2      LEU  11   3.022  -0.122  -4.581
  122   HD22  LEU  11          2HD2      LEU  11   2.552   1.576  -4.532
  123   HD23  LEU  11          3HD2      LEU  11   1.403   0.328  -4.047
  124    H    LYS  12           H        LYS  12   2.813  -2.387   0.091
  125    HA   LYS  12           HA       LYS  12   4.765  -4.469  -0.117
  126    HB2  LYS  12           2HB      LYS  12   4.896  -4.223   2.119
  127    HB3  LYS  12           1HB      LYS  12   3.740  -2.915   1.955
  128    HG2  LYS  12           2HG      LYS  12   2.261  -5.333   2.073
  129    HG3  LYS  12           1HG      LYS  12   3.472  -5.379   3.351
  130    HD2  LYS  12           2HD      LYS  12   2.648  -2.921   3.775
  131    HD3  LYS  12           1HD      LYS  12   1.202  -3.492   2.941
  132    HE2  LYS  12           2HE      LYS  12   2.281  -5.228   5.080
  133    HE3  LYS  12           1HE      LYS  12   1.545  -3.708   5.586
  134    HZ1  LYS  12           1HZ      LYS  12  -0.483  -4.470   5.131
  135    HZ2  LYS  12           2HZ      LYS  12   0.212  -6.011   5.057
  136    HZ3  LYS  12           3HZ      LYS  12  -0.020  -5.120   3.639
  137    H    SER  13           H        SER  13   1.273  -4.249  -0.072
  138    HA   SER  13           HA       SER  13   0.903  -7.085   0.122
  139    HB2  SER  13           2HB      SER  13  -0.877  -5.757   1.006
  140    HB3  SER  13           1HB      SER  13  -0.983  -4.808  -0.476
  141    HG   SER  13           HG       SER  13  -1.803  -6.606  -1.534
  142    H    LEU  14           H        LEU  14   1.517  -4.813  -2.353
  143    HA   LEU  14           HA       LEU  14   0.404  -6.330  -4.467
  144    HB2  LEU  14           2HB      LEU  14   0.784  -4.359  -5.460
  145    HB3  LEU  14           1HB      LEU  14   1.849  -3.858  -4.164
  146    HG   LEU  14           HG       LEU  14   3.029  -5.712  -6.137
  147   HD11  LEU  14          1HD1      LEU  14   1.639  -4.231  -7.544
  148   HD12  LEU  14          2HD1      LEU  14   3.370  -4.031  -7.815
  149   HD13  LEU  14          3HD1      LEU  14   2.484  -2.842  -6.860
  150   HD21  LEU  14          1HD2      LEU  14   4.862  -3.950  -5.905
  151   HD22  LEU  14          2HD2      LEU  14   4.490  -4.931  -4.487
  152   HD23  LEU  14          3HD2      LEU  14   3.882  -3.278  -4.602
  153    H    LYS  15           H        LYS  15   3.439  -6.290  -2.763
  154    HA   LYS  15           HA       LYS  15   4.704  -8.080  -4.621
  155    HB2  LYS  15           2HB      LYS  15   6.049  -6.415  -3.473
  156    HB3  LYS  15           1HB      LYS  15   5.591  -7.086  -1.915
  157    HG2  LYS  15           2HG      LYS  15   6.928  -8.854  -3.899
  158    HG3  LYS  15           1HG      LYS  15   7.894  -7.671  -3.014
  159    HD2  LYS  15           2HD      LYS  15   6.618  -8.662  -0.938
  160    HD3  LYS  15           1HD      LYS  15   6.400 -10.049  -2.007
  161    HE2  LYS  15           2HE      LYS  15   8.988  -8.828  -1.075
  162    HE3  LYS  15           1HE      LYS  15   8.377 -10.449  -0.750
  163    HZ1  LYS  15           1HZ      LYS  15   9.799  -9.450  -3.047
  164    HZ2  LYS  15           2HZ      LYS  15   8.439 -10.372  -3.446
  165    HZ3  LYS  15           3HZ      LYS  15   9.650 -11.035  -2.469
  166    H    ARG  16           H        ARG  16   4.571  -8.512  -1.114
  167    HA   ARG  16           HA       ARG  16   4.205 -11.366  -1.535
  168    HB2  ARG  16           2HB      ARG  16   5.959 -10.560   0.005
  169    HB3  ARG  16           1HB      ARG  16   4.715  -9.856   1.027
  170    HG2  ARG  16           2HG      ARG  16   5.761 -12.208   1.558
  171    HG3  ARG  16           1HG      ARG  16   4.057 -11.870   1.864
  172    HD2  ARG  16           2HD      ARG  16   3.352 -13.145   0.075
  173    HD3  ARG  16           1HD      ARG  16   4.878 -12.977  -0.785
  174    HE   ARG  16           HE       ARG  16   5.756 -14.469   1.106
  175   HH11  ARG  16          1HH1      ARG  16   2.526 -14.685  -0.235
  176   HH12  ARG  16          2HH1      ARG  16   2.357 -16.366   0.138
  177   HH21  ARG  16          1HH2      ARG  16   5.524 -16.675   1.585
  178   HH22  ARG  16          2HH2      ARG  16   4.057 -17.496   1.167
  179    H    LEU  17           H        LEU  17   2.097  -8.898  -1.295
  180    HA   LEU  17           HA       LEU  17  -0.172  -8.902  -0.947
  181    HB2  LEU  17           2HB      LEU  17  -1.310 -10.847  -0.855
  182    HB3  LEU  17           1HB      LEU  17   0.251 -11.558  -1.203
  183    HG   LEU  17           HG       LEU  17   0.285 -11.476   1.539
  184   HD11  LEU  17          1HD1      LEU  17  -1.747 -11.756   2.476
  185   HD12  LEU  17          2HD1      LEU  17  -2.397 -12.604   1.073
  186   HD13  LEU  17          3HD1      LEU  17  -2.287 -10.843   1.068
  187   HD21  LEU  17          1HD2      LEU  17   0.183 -13.802   1.429
  188   HD22  LEU  17          2HD2      LEU  17   0.779 -13.331  -0.163
  189   HD23  LEU  17          3HD2      LEU  17  -0.913 -13.781   0.046
  190    H    GLY  18           H        GLY  18   2.082  -8.201   0.824
  191    HA2  GLY  18           2HA      GLY  18   2.297  -7.165   2.875
  192    HA3  GLY  18           1HA      GLY  18   0.551  -7.288   3.047