*HEADER ANTIMICROBIAL PROTEIN 18-AUG-09 SMS20094 *TITLE EFFECTS OF PEPTOID RESIDUE SUBSTITUTIONS ON STRUCTURAL FLEXIBILITY AND *TITLE 2 BACTERIAL-CELL SELECTIVITY OF PISCIDIN 1 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: MORONECIDIN; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: TRNAS PIS-1[NKG], PISCIDIN-1; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: PISCIDIN 1 ANALOGUE, TRNAS FORM *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: MORONE SAXATILIS; *SOURCE 4 ORGANISM_COMMON: STRIPED BASS; *SOURCE 5 ORGANISM_TAXID: 34816; *SOURCE 6 OTHER_DETAILS: SYNTHESIZED BY THE STANDARD FMOC-BASED SOLID-PHASE *SOURCE 7 METHOD *KEYWDS PIS-1 NKG(TRANS FORM), ANTIMICROBIAL PEPTIDE, PISCIDIN 1, PEPTOID, *KEYWDS 2 CELL SELECTIVITY, ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.-K.KIM, S.-A.LEE, J.-Y.LEE, Y.KIM ! Pis-1 NkG(trans) in 150mMDPC at 313K set message=off echo=off end restraints dihedral reset !! 4 assign (resid 3 and name c ) (resid 4 and name n ) (resid 4 and name ca) (resid 4 and name c ) 1.0 -60.0 25.0 2 !! 5 assign (resid 4 and name c ) (resid 5 and name n ) (resid 5 and name ca) (resid 5 and name c ) 1.0 -60.0 25.0 2 !! 6 assign (resid 5 and name c ) (resid 6 and name n ) (resid 6 and name ca) (resid 6 and name c ) 1.0 -60.0 25.0 2 !! 7 assign (resid 6 and name c ) (resid 7 and name n ) (resid 7 and name ca) (resid 7 and name c ) 1.0 -60.0 45.0 2 !! 9 assign (resid 8 and name c ) (resid 9 and name n ) (resid 9 and name ca) (resid 9 and name c ) 1.0 -60.0 45.0 2 !! 10 assign (resid 9 and name c ) (resid 10 and name n ) (resid 10 and name ca) (resid 10 and name c ) 1.0 -60.0 45.0 2 !! 11 assign (resid 10 and name c ) (resid 11 and name n ) (resid 11 and name ca) (resid 11 and name c ) 1.0 -60.0 45.0 2 !! 12 assign (resid 11 and name c ) (resid 12 and name n ) (resid 12 and name ca) (resid 12 and name c ) 1.0 -80.0 25.0 2 !! 13 assign (resid 12 and name c ) (resid 13 and name n ) (resid 13 and name ca) (resid 13 and name c ) 1.0 -60.0 45.0 2 !! 14 assign (resid 13 and name c ) (resid 14 and name n ) (resid 14 and name ca) (resid 14 and name c ) 1.0 -80.0 45.0 2 !! 15 assign (resid 14 and name c ) (resid 15 and name n ) (resid 15 and name ca) (resid 15 and name c ) 1.0 -60.0 25.0 2 !! 16 assign (resid 15 and name c ) (resid 16 and name n ) (resid 16 and name ca) (resid 16 and name c ) 1.0 -80.0 25.0 2 !! 17 assign (resid 16 and name c ) (resid 17 and name n ) (resid 17 and name ca) (resid 17 and name c ) 1.0 -60.0 25.0 2 !! 18 assign (resid 17 and name c ) (resid 18 and name n ) (resid 18 and name ca) (resid 18 and name c ) 1.0 -80.0 45.0 2 !! 19 assign (resid 18 and name c ) (resid 19 and name n ) (resid 19 and name ca) (resid 19 and name c ) 1.0 -60.0 25.0 2 !! 20 assign (resid 19 and name c ) (resid 20 and name n ) (resid 20 and name ca) (resid 20 and name c ) 1.0 -80.0 25.0 2 !! 21 assign (resid 20 and name c ) (resid 21 and name n ) (resid 21 and name ca) (resid 21 and name c ) 1.0 -80.0 45.0 2 end set message=on echo=on end !Pis-1 [NkG] (trans) in 150mM DPCat 313K message=off end !week 4.0 2.2 1.0 !medium 3.0 1.2 0.3 !strong 2.5 0.7 0.2 !H-bond assign (resid 15 and name N )(resid 11 and name O ) 3.3 0.8 0.2 assign (resid 18 and name N )(resid 14 and name O ) 3.3 0.8 0.2 assign (resid 19 and name N )(resid 15 and name O ) 3.3 0.8 0.2 assign (resid 20 and name N )(resid 16 and name O ) 3.3 0.8 0.2 assign (resid 21 and name N )(resid 17 and name O ) 3.3 0.8 0.2 ! intra assign (residue 2 and name HB1) (residue 2 and name HA) 4.0 2.2 1.0 !W assign (residue 2 and name HB2) (residue 2 and name HA) 4.0 2.2 1.0 ! W assign (residue 2 and name HN) (residue 2 and name HA) 4.0 2.2 1.0 ! W assign (residue 2 and name HN) (residue 2 and name HD#) 4.0 2.2 1.0 ! W assign (residue 2 and name HD#) (residue 2 and name HA) 3.0 1.2 1.3 ! M assign (residue 2 and name HD#) (residue 2 and name HB1) 3.0 1.2 1.3 ! M assign (residue 2 and name HD#) (residue 2 and name HB2) 3.0 1.2 1.3 ! M assign (residue 3 and name HB1) (residue 3 and name HA) 3.0 1.2 0.3 ! M assign (residue 3 and name HB2) (residue 3 and name HA) 4.0 2.2 1.0 ! W assign (residue 3 and name HD#) (residue 3 and name HA) 4.0 2.2 1.0 ! W assign (residue 3 and name HD#) (residue 3 and name HB1) 4.0 2.2 1.0 ! W assign (residue 3 and name HD#) (residue 3 and name HB2) 4.0 2.2 1.0 ! W assign (residue 3 and name HN) (residue 3 and name HA) 4.0 2.2 1.0 ! W assign (residue 3 and name HN) (residue 3 and name HB1) 4.0 2.2 1.0 ! W assign (residue 3 and name HN) (residue 3 and name HB2) 4.0 2.2 1.0 ! W assign (residue 4 and name HB2) (residue 4 and name HA) 3.0 1.2 0.3 ! M assign (residue 4 and name HD#) (residue 4 and name HB1) 3.0 1.2 0.8 ! M assign (residue 4 and name HD#) (residue 4 and name HB2) 3.0 1.2 0.8 ! M assign (residue 4 and name HB1) (residue 4 and name HA) 3.0 1.2 0.3 ! M assign (residue 4 and name HD#) (residue 4 and name HA) 3.0 1.2 0.3 ! M assign (residue 4 and name HN) (residue 4 and name HA) 2.5 0.7 0.2 ! S assign (residue 4 and name HN) (residue 4 and name HB1) 4.0 2.2 1.0 ! W assign (residue 4 and name HN) (residue 4 and name HB2) 4.0 2.2 1.0 ! W assign (residue 5 and name HN) (residue 5 and name HD#) 4.0 2.2 1.0 ! W assign (residue 5 and name HN) (residue 5 and name HG11) 4.0 2.2 1.0 ! W assign (residue 5 and name HN) (residue 5 and name HG12) 4.0 2.2 1.0 ! W assign (residue 5 and name HN) (residue 5 and name HA) 3.0 1.2 0.3 ! M assign (residue 5 and name HN) (residue 5 and name HB) 3.0 1.2 0.3 ! M assign (residue 5 and name HN) (residue 5 and name HG2#) 3.0 1.2 1.3 ! M assign (residue 6 and name HD#) (residue 6 and name HB1) 3.0 1.2 0.3 ! M assign (residue 6 and name HD#) (residue 6 and name HB2) 3.0 1.2 0.3 ! M assign (residue 6 and name HN) (residue 6 and name HB1) 4.0 2.2 1.0 ! W assign (residue 6 and name HN) (residue 6 and name HB2) 4.0 2.2 1.0 ! W assign (residue 7 and name HN) (residue 7 and name HB#) 4.0 2.2 1.0 ! W assign (residue 7 and name HN) (residue 7 and name HG#) 4.0 2.2 1.0 ! W assign (residue 7 and name HB#) (residue 7 and name HA) 4.0 2.2 1.0 ! W assign (residue 7 and name HD#) (residue 7 and name HA) 4.0 2.2 1.0 ! W assign (residue 7 and name HD#) (residue 7 and name HB#) 4.0 2.2 1.0 ! W assign (residue 7 and name HE#) (residue 7 and name HD#) 4.0 2.2 1.0 ! W assign (residue 7 and name HG#) (residue 7 and name HA) 4.0 2.2 1.0 ! W assign (residue 7 and name HB#) (residue 7 and name HD#) 3.0 1.2 0.3 ! M assign (residue 7 and name HD#) (residue 7 and name HG#) 3.0 1.2 0.3 ! M assign (residue 7 and name HG#) (residue 7 and name HD#) 3.0 1.2 0.3 ! M assign (residue 8 and name1HA) (residue 8 and name #HG) 4.0 2.2 1.0 ! W assign (residue 8 and name #HB) (residue 8 and name 1HA) 4.0 2.2 1.0 ! W assign (residue 8 and name #HB) (residue 8 and name 2HA) 4.0 2.2 1.0 ! W assign (residue 8 and name #HD) (residue 8 and name #HB) 4.0 2.2 1.0 ! W assign (residue 8 and name #HE) (residue 8 and name #HB) 4.0 2.2 1.0 ! W assign (residue 8 and name #HG) (residue 8 and name 1HA) 4.0 2.2 1.0 ! W assign (residue 8 and name #HG) (residue 8 and name 2HA) 4.0 2.2 1.0 ! W assign (residue 8 and name #HG) (residue 8 and name #HB) 2.5 0.7 0.2 !S assign (residue 8 and name #HE) (residue 8 and name #HG) 3.0 1.2 0.3! M assign (residue 9 and name HB) (residue 9 and name HA) 2.5 0.7 0.2 ! S assign (residue 9 and name HN) (residue 9 and name HD#) 3.0 1.2 1.3! M assign (residue 9 and name HN) (residue 9 and name HA) 3.0 1.2 0.3! M assign (residue 9 and name HN) (residue 9 and name HB) 3.0 1.2 0.8 ! M assign (residue 9 and name HN) (residue 9 and name HG11) 4.0 2.2 1.0 ! W assign (residue 9 and name HD#) (residue 9 and name HA) 3.0 1.2 0.8! M assign (residue 9 and name HD#) (residue 9 and name HB) 2.5 0.7 1.2 !S assign (residue 10 and name HN) (residue 10 and name HB) 4.0 2.2 1.0 ! W assign (residue 10 and name HG#) (residue 10 and name HA) 2.5 0.7 0.2! S assign (residue 10 and name HG#) (residue 10 and name HB) 2.5 0.7 0.2! S assign (residue 10 and name HN) (residue 10 and name HG#) 4.0 2.2 1.0 !W assign (residue 10 and name HN) (residue 10 and name HA) 4.0 2.2 1.0 ! W assign (residue 11 and name HD#) (residue 11 and name HB1) 3.0 1.2 0.3 !M assign (residue 11 and name HD#) (residue 11 and name HB2) 3.0 1.2 0.3 !M assign (residue 11 and name HN) (residue 11 and name HA) 3.0 1.2 0.3 ! M assign (residue 11 and name HN) (residue 11 and name HB1) 3.0 1.2 0.3 !M assign (residue 11 and name HD#) (residue 11 and name HA) 4.0 2.2 1.0 !W assign (residue 11 and name HD#) (residue 11 and name HN) 4.0 2.2 1.0 !W assign (residue 11 and name HN) (residue 11 and name HB2) 4.0 2.2 1.0 !W assign (residue 12 and name HG1#) (residue 12 and name HA) 2.5 0.7 0.2 !S assign (residue 12 and name HN) (residue 12 and name HG1#) 3.0 1.2 1.3 !M S assign (residue 12 and name HN) (residue 12 and name HA) 3.0 1.2 0.3 ! M assign (residue 12 and name HN) (residue 12 and name HB) 3.0 1.2 0.8 ! M assign (residue 12 and name HN) (residue 12 and name HG2#) 3.0 1.2 1.3 !M assign (residue 12 and name HA) (residue 12 and name HB) 4.0 2.2 1.0 ! W assign (residue 12 and name HA) (residue 12 and name HG1#) 4.0 2.2 1.0 !W assign (residue 13 and name HN) (residue 13 and name HA1) 2.5 0.7 0.2! S assign (residue 13 and name HN) (residue 13 and name HA2) 3.0 1.2 0.3 !M assign (residue 14 and name HN) (residue 14 and name HA) 2.5 0.7 0.2 !S assign (residue 14 and name HN) (residue 14 and name HB1) 3.0 1.2 0.3 !S assign (residue 14 and name HN) (residue 14 and name HB2) 3.0 1.2 0.3 !M assign (residue 14 and name HN) (residue 14 and name HD#) 4.0 2.2 1.0 !W assign (residue 14 and name HN) (residue 14 and name HG#) 4.0 2.2 1.0 !W assign (residue 15 and name HA) (residue 15 and name HG#) 4.0 2.2 1.0 !W assign (residue 15 and name HB) (residue 15 and name HG#) 3.0 1.2 0.3 !M assign (residue 15 and name HG#) (residue 15 and name HA) 3.0 1.2 0.3 !M assign (residue 15 and name HN) (residue 15 and name HA) 2.5 0.7 0.2 !S assign (residue 15 and name HN) (residue 15 and name HB) 3.0 1.2 0.3 !M assign (residue 15 and name HN) (residue 15 and name HG#) 3.0 1.2 0.3 !M assign (residue 16 and name HN) (residue 16 and name HA) 2.5 0.7 0.2 !S assign (residue 16 and name HN) (residue 16 and name HB) 3.0 1.2 0.3 ! M assign (residue 16 and name HN) (residue 16 and name HD#) 3.0 1.2 0.3 !M assign (residue 16 and name HN) (residue 16 and name HG2#) 3.0 1.2 0.8 !M assign (residue 17 and name HN) (residue 17 and name HA) 2.5 0.7 0.2 !S assign (residue 17 and name HN) (residue 17 and name HB1) 3.0 1.2 0.3 !M assign (residue 17 and name HN) (residue 17 and name HB2) 3.0 1.2 0.3 !M assign (residue 17 and name HD#) (residue 17 and name HA) 3.0 1.2 0.3 !M assign (residue 17 and name HD#) (residue 17 and name HB1) 4.0 2.2 1.0 !W assign (residue 17 and name HD#) (residue 17 and name HB2) 4.0 2.2 1.0 !W assign (residue 18 and name HE#) (residue 18 and name HB#) 4.0 2.2 1.0 !W assign (residue 18 and name HE#) (residue 18 and name HD#) 4.0 2.2 1.0 !W assign (residue 18 and name HE#) (residue 18 and name HG1) 4.0 2.2 1.0 !W assign (residue 18 and name HE#) (residue 18 and name HG2) 4.0 2.2 1.0 !W assign (residue 18 and name HG1) (residue 18 and name HD#) 4.0 2.2 1.0 !W assign (residue 18 and name HG2) (residue 18 and name HD#) 4.0 2.2 1.0 !W assign (residue 18 and name HN) (residue 18 and name HG1) 3.0 1.2 0.3 !M assign (residue 18 and name HN) (residue 18 and name HG2) 3.0 1.2 0.3 !M assign (residue 18 and name HG2) (residue 18 and name HA) 2.5 0.7 0.2! S assign (residue 18 and name HN) (residue 18 and name HA) 2.5 0.7 0.2 !S assign (residue 18 and name HN) (residue 18 and name HB#) 2.5 0.7 0.2! S assign (residue 19 and name HD#) (residue 19 and name HA) 4.0 2.2 1.0! W assign (residue 19 and name HN) (residue 19 and name HA) 2.5 0.7 0.2 !S assign (residue 19 and name HN) (residue 19 and name HB#) 2.5 0.7 0.2! S assign (residue 19 and name HN) (residue 19 and name HD#) 4.0 2.2 1.0 !W assign (residue 19 and name HG#) (residue 19 and name HA) 3.0 1.2 0.8 !M assign (residue 19 and name HN) (residue 19 and name HG#) 3.0 1.2 0.8 !M assign (residue 19 and name HA) (residue 19 and name HB#) 4.0 2.2 1.0 !W assign (residue 20 and name HN) (residue 20 and name HA) 2.5 0.7 0.2 !S assign (residue 20 and name HN) (residue 20 and name HG1#) 3.0 1.2 0.3! M assign (residue 20 and name HN) (residue 20 and name HB) 3.0 1.2 0.3 ! M assign (residue 20 and name HN) (residue 20 and name HG2#) 3.0 1.2 1.3 !M assign (residue 20 and name HA) (residue 20 and name HG1#) 4.0 2.2 1.0 !W assign (residue 20 and name HA) (residue 20 and name HG2#) 4.0 2.2 1.0 !W assign (residue 21 and name HN) (residue 21 and name HA) 2.5 0.7 0.2 !S assign (residue 21 and name HN) (residue 21 and name HG#) 4.0 2.2 1.0 !W assign (residue 21 and name HA) (residue 21 and name HG#) 4.0 2.2 1.0 !W assign (residue 21 and name HB) (residue 21 and name HA) 4.0 2.2 1.0 ! W assign (residue 21 and name HN) (residue 21 and name HB) 3.0 1.2 0.3 ! M assign (residue 21 and name HB) (residue 21 and name HG#) 4.0 2.2 1.0 !W assign (residue 22 and name HN) (residue 22 and name HA1) 2.5 0.7 0.2! S assign (residue 22 and name HN) (residue 22 and name HA2) 2.5 0.7 0.2! S ! i+1 assign (residue 4 and name HN) (residue 3 and name HA) 4.0 2.2 1.0 !W assign (residue 6 and name HN) (residue 5 and name HA) 3.0 1.2 0.3! M assign (residue 9 and name HN) (residue 8 and name 1HA) 4.0 2.2 1.0 !W assign (residue 9 and name HN) (residue 8 and name 2HA) 4.0 2.2 1.0 !W assign (residue 10 and name HN) (residue 9 and name HA) 2.5 0.7 1.2 !S assign (residue 11 and name HN) (residue 10 and name HA) 4.0 2.2 1.0! W assign (residue 12 and name HN) (residue 11 and name HA) 3.0 1.2 0.8! M assign (residue 13 and name HN) (residue 12 and name HA) 3.0 1.2 0.3!M assign (residue 14 and name HN) (residue 13 and name HA1) 3.0 1.2 0.3! M assign (residue 16 and name HN) (residue 15 and name HA) 3.0 1.2 0.8! M assign (residue 17 and name HN) (residue 16 and name HA) 3.0 1.2 0.3!M assign (residue 18 and name HN) (residue 17 and name HA) 3.0 1.2 0.8! M assign (residue 19 and name HN) (residue 18 and name HA) 3.0 1.2 0.3!M assign (residue 20 and name HN) (residue 19 and name HA) 3.0 1.2 0.3!M assign (residue 21 and name HN) (residue 20 and name HA) 3.0 1.2 0.3!M assign (residue 22 and name HN) (residue 21 and name HA) 3.0 1.2 0.3!M assign (residue 5 and name HN) (residue 4 and name HN) 4.0 2.2 1.0 !W assign (residue 6 and name HN) (residue 5 and name HN) 4.0 2.2 1.0 !W assign (residue 6 and name HN) (residue 7 and name HN) 4.0 2.2 1.0 !W assign (residue 11 and name HN) (residue 10 and name HN) 4.0 2.2 1.0! W assign (residue 12 and name HN) (residue 11 and name HN) 4.0 2.2 1.0! W assign (residue 12 and name HN) (residue 13 and name HN) 3.0 1.2 1.3! M assign (residue 14 and name HN) (residue 13 and name HN) 3.0 1.2 0.3!M assign (residue 14 and name HN) (residue 15 and name HN) 2.5 0.7 0.7! S assign (residue 15 and name HN) (residue 16 and name HN) 2.5 0.7 0.2! S assign (residue 17 and name HN) (residue 16 and name HN) 4.0 2.2 1.0! W assign (residue 17 and name HN) (residue 18 and name HN) 3.0 1.2 1.3!M assign (residue 19 and name HN) (residue 18 and name HN) 3.0 1.2 0.3!M assign (residue 19 and name HN) (residue 20 and name HN) 3.0 1.2 0.3!M assign (residue 20 and name HN) (residue 21 and name HN) 3.0 1.2 0.3!M assign (residue 21 and name HN) (residue 22 and name HN) 3.0 1.2 0.8! M assign (residue 3 and name HN) (residue 2 and name HB2) 4.0 2.2 1.0 !W assign (residue 4 and name HB1) (residue 5 and name HA) 4.0 2.2 1.5 !W assign (residue 4 and name HB2) (residue 5 and name HA) 4.0 2.2 1.5 !W assign (residue 5 and name HN) (residue 4 and name HB1) 4.0 2.2 1.0 !W assign (residue 5 and name HN) (residue 4 and name HB2) 4.0 2.2 1.0 !W assign (residue 5 and name HD#) (residue 6 and name HB1) 4.0 2.2 2.5! W assign (residue 5 and name HG2#) (residue 6 and name HB1) 4.0 2.2 2.5! W assign (residue 6 and name HN) (residue 5 and name HB) 4.0 2.2 1.0 !W assign (residue 6 and name HN) (residue 5 and name HD#) 4.0 2.2 2.0 !W assign (residue 6 and name HN) (residue 5 and name HG12) 4.0 2.2 1.0! W assign (residue 7 and name HN) (residue 6 and name HB1) 4.0 2.2 1.0 !W assign (residue 7 and name HN) (residue 6 and name HB2) 4.0 2.2 1.0 !W assign (residue 7 and name HB#) (residue 8 and name #HB) 4.0 2.2 1.0! W assign (residue 8 and name #HB) (residue 7 and name HG#) 4.0 2.2 1.0! W assign (residue 8 and name #HB) (residue 7 and name HA) 3.0 1.2 0.8 !M assign (residue 8 and name #HB) (residue 7 and name HD#) 3.0 1.2 0.8! M assign (residue 9 and name HB) (residue 8 and name 2HA) 4.0 2.2 1.5 !W assign (residue 9 and name HN) (residue 8 and name #HB) 4.0 2.2 1.0 !W assign (residue 10 and name HN) (residue 9 and name HG11) 4.0 2.2 1.5! W assign (residue 11 and name HN) (residue 10 and name HB) 4.0 2.2 1.0! W assign (residue 11 and name HN) (residue 10 and name HG#) 4.0 2.2 1.0! W assign (residue 12 and name HN) (residue 11 and name HB2) 3.0 1.2 1.3! M assign (residue 12 and name HB) (residue 11 and name HB1) 4.0 2.2 1.5! W assign (residue 12 and name HB) (residue 13 and name HA2) 4.0 2.2 1.5! W assign (residue 13 and name HN) (residue 12 and name HB) 4.0 2.2 1.0! W assign (residue 13 and name HN) (residue 12 and name HG1#) 4.0 2.2 1.0 !W assign (residue 13 and name HN) (residue 12 and name HG2#) 4.0 2.2 1.0 !W assign (residue 15 and name HN) (residue 14 and name HB1) 3.0 1.2 0.8! M assign (residue 16 and name HG2#) (residue 17 and name HA) 3.0 1.2 0.3! M assign (residue 16 and name HN) (residue 15 and name HB) 3.0 1.2 0.8! M0.5 assign (residue 17 and name HN) (residue 16 and name HB) 3.0 1.2 0.3!M assign (residue 17 and name HB2) (residue 18 and name HA) 4.0 2.2 2.0! W assign (residue 18 and name HB#) (residue 17 and name HB1) 4.0 2.2 1.5! W assign (residue 18 and name HB#) (residue 17 and name HB2) 4.0 2.2 1.5 !W assign (residue 18 and name HN) (residue 17 and name HB1) 4.0 2.2 1.0! W assign (residue 18 and name HN) (residue 17 and name HB2) 3.0 1.2 0.8! M assign (residue 19 and name HN) (residue 18 and name HB#) 3.0 1.2 1.3! M assign (residue 19 and name HA) (residue 18 and name HB#) 4.0 2.2 1.0! W assign (residue 19 and name HN) (residue 18 and name HG2) 4.0 2.2 1.0! W assign (residue 20 and name HN) (residue 19 and name HB#) 4.0 2.2 1.0! W assign (residue 20 and name HN) (residue 19 and name HG#) 4.0 2.2 1.0! W assign (residue 20 and name HB) (residue 21 and name HA) 4.0 2.2 2.0! W0.5 assign (residue 20 and name HN) (residue 19 and name HD#) 4.0 2.2 1.0! W assign (residue 20 and name HG2#) (residue 21 and name HA) 4.0 2.2 2.0 !W assign (residue 21 and name HA) (residue 20 and name HG1#) 4.0 2.2 2.0 !W assign (residue 21 and name HN) (residue 20 and name HB) 3.0 1.2 1.3! M assign (residue 21 and name HN) (residue 20 and name HG1#) 3.0 1.2 1.3 !M assign (residue 21 and name HN) (residue 20 and name HG2#) 3.0 1.2 1.3 !M assign (residue 22 and name HN) (residue 21 and name HB) 4.0 2.2 1.0! W assign (residue 22 and name HN) (residue 21 and name HG#) 4.0 2.2 1.0! W ! i+2,3,4 assign (residue 4 and name HD#) (residue 2 and name HB2) 4.0 2.2 2.5! W assign (residue 7 and name HN) (residue 5 and name HB) 4.0 2.2 1.0 ! W assign (residue 11 and name HN) (residue 9 and name HA) 4.0 2.2 2.0 ! W assign (residue 12 and name HG2#) (residue 10 and name HA) 4.0 2.2 2.5 ! W assign (residue 12 and name HN) (residue 10 and name HA) 4.0 2.2 2.0 ! W assign (residue 13 and name HN) (residue 11 and name HA) 4.0 2.2 1.5 ! W assign (residue 13 and name HN) (residue 11 and name HB1) 4.0 2.2 1.5 ! W assign (residue 13 and name HN) (residue 11 and name HB2) 4.0 2.2 1.5 ! W assign (residue 15 and name HN) (residue 13 and name HN) 4.0 2.2 1.5 ! W assign (residue 14 and name HN) (residue 12 and name HA) 4.0 2.2 2.0 ! W assign (residue 14 and name HN) (residue 12 and name HN) 4.0 2.2 1.0 ! W assign (residue 17 and name HN) (residue 15 and name HB) 4.0 2.2 1.0 ! W assign (residue 17 and name HN) (residue 19 and name HN) 4.0 2.2 2.0 ! W assign (residue 18 and name HN) (residue 16 and name HA) 4.0 2.2 1.5 ! W assign (residue 19 and name HN) (residue 17 and name HA) 4.0 2.2 2.5 ! W assign (residue 20 and name HN) (residue 18 and name HB#) 4.0 2.2 2.0 ! W assign (residue 20 and name HN) (residue 18 and name HA) 4.0 2.2 2.0! W assign (residue 21 and name HN) (residue 19 and name HB#) 4.0 2.2 2.5 ! W assign (residue 22 and name HN) (residue 20 and name HB) 4.0 2.2 2.0 ! W assign (residue 12 and name HN) (residue 9 and name HA) 4.0 2.2 2.0 ! W assign (residue 12 and name HN) (residue 9 and name HB) 4.0 2.2 2.0 ! W assign (residue 12 and name HA) (residue 15 and name HA) 4.0 2.2 2.5 ! W assign (residue 14 and name HN) (residue 11 and name HA) 4.0 2.2 1.5 ! W assign (residue 14 and name HB1) (residue 17 and name HB2) 4.0 2.2 1.0 ! W assign (residue 14 and name HB2) (residue 17 and name HB2) 4.0 2.2 1.0 ! W assign (residue 14 and name HD#) (residue 17 and name HB1) 4.0 2.2 1.0 ! W assign (residue 14 and name HG#) (residue 17 and name HB2) 4.0 2.2 1.0 ! W assign (residue 15 and name HN) (residue 12 and name HA) 4.0 2.2 2.0 ! W assign (residue 16 and name HN) (residue 13 and name HA1) 4.0 2.2 1.0 ! W assign (residue 16 and name HB) (residue 13 and name HA1) 4.0 2.2 1.0 ! W assign (residue 16 and name HN) (residue 13 and name HA2) 4.0 2.2 1.0 ! W assign (residue 17 and name HN) (residue 14 and name HA) 4.0 2.2 1.0 ! W assign (residue 17 and name HB2) (residue 14 and name HB1) 4.0 2.2 1.0 ! W assign (residue 18 and name HB#) (residue 21 and name HA) 4.0 2.2 2.0 ! W assign (residue 18 and name HA) (residue 15 and name HA) 4.0 2.2 1.5 ! W assign (residue 19 and name HB#) (residue 16 and name HA) 4.0 2.2 2.0 ! W assign (residue 19 and name HN) (residue 16 and name HA) 4.0 2.2 2.0 ! W assign (residue 20 and name HN) (residue 17 and name HA) 4.0 2.2 1.5 ! W assign (residue 21 and name HN) (residue 18 and name HA) 4.0 2.2 2.0 ! W assign (residue 21 and name HN) (residue 18 and name HB#) 4.0 2.2 2.5 ! W assign (residue 13 and name HN) (residue 9 and name HA) 4.0 2.2 2.0 !W assign (residue 13 and name HN) (residue 9 and name HB) 4.0 2.2 2.0 !W assign (residue 15 and name HN) (residue 11 and name HA) 4.0 2.2 1.5 ! W assign (residue 16 and name HN) (residue 12 and name HA) 4.0 2.2 1.5 ! W assign (residue 20 and name HN) (residue 16 and name HA) 4.0 2.2 1.5 ! W assign (residue 21 and name HN) (residue 17 and name HD#) 4.0 2.2 2.5 ! W assign (residue 22 and name HN) (residue 18 and name HA) 4.0 2.2 2.0 ! W Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 1HT PHE 1 -9.156 1.187 11.475 2 H2 PHE 1 2HT PHE 1 -8.037 2.311 10.867 3 H3 PHE 1 3HT PHE 1 -7.967 0.687 10.373 4 HA PHE 1 HA PHE 1 -10.331 2.403 9.841 5 HB2 PHE 1 2HB PHE 1 -7.869 3.043 9.004 6 HB3 PHE 1 1HB PHE 1 -8.234 1.813 7.793 7 HD1 PHE 1 2HD PHE 1 -10.187 4.523 9.517 8 HD2 PHE 1 1HD PHE 1 -9.028 2.708 5.800 9 HE1 PHE 1 2HE PHE 1 -11.594 6.151 8.283 10 HE2 PHE 1 1HE PHE 1 -10.434 4.336 4.567 11 HZ PHE 1 HZ PHE 1 -11.717 6.057 5.808 12 H PHE 2 H PHE 2 -10.079 1.242 7.074 13 HA PHE 2 HA PHE 2 -11.111 -1.500 7.718 14 HB2 PHE 2 2HB PHE 2 -11.687 0.354 5.382 15 HB3 PHE 2 1HB PHE 2 -12.497 -1.177 5.714 16 HD1 PHE 2 1HD PHE 2 -12.409 -0.721 8.822 17 HD2 PHE 2 2HD PHE 2 -13.771 1.649 5.509 18 HE1 PHE 2 1HE PHE 2 -14.009 0.445 10.315 19 HE2 PHE 2 2HE PHE 2 -15.371 2.816 7.002 20 HZ PHE 2 HZ PHE 2 -15.490 2.214 9.405 21 H HIS 3 H HIS 3 -9.097 0.391 5.479 22 HA HIS 3 HA HIS 3 -7.321 -0.312 4.082 23 HB2 HIS 3 2HB HIS 3 -7.162 -1.737 6.372 24 HB3 HIS 3 1HB HIS 3 -7.442 -3.056 5.236 25 HD1 HIS 3 1HD HIS 3 -5.126 -0.049 5.618 26 HD2 HIS 3 2HD HIS 3 -5.161 -3.836 3.876 27 HE1 HIS 3 1HE HIS 3 -2.803 -0.427 4.681 28 H HIS 4 H HIS 4 -8.984 -0.232 2.315 29 HA HIS 4 HA HIS 4 -10.689 -2.222 1.440 30 HB2 HIS 4 2HB HIS 4 -8.846 -0.295 0.038 31 HB3 HIS 4 1HB HIS 4 -9.903 -1.358 -0.893 32 HD1 HIS 4 1HD HIS 4 -11.174 -0.206 2.397 33 HD2 HIS 4 2HD HIS 4 -11.485 0.981 -1.587 34 HE1 HIS 4 1HE HIS 4 -13.090 1.447 2.290 35 H ILE 5 H ILE 5 -10.238 -3.727 -0.537 36 HA ILE 5 HA ILE 5 -8.322 -5.716 0.211 37 HB ILE 5 HB ILE 5 -9.632 -5.294 -2.489 38 HG12 ILE 5 2HG1 ILE 5 -10.788 -6.245 0.142 39 HG13 ILE 5 1HG1 ILE 5 -11.436 -5.027 -0.955 40 HG21 ILE 5 1HG2 ILE 5 -9.312 -7.911 -1.079 41 HG22 ILE 5 2HG2 ILE 5 -7.891 -7.183 -1.825 42 HG23 ILE 5 3HG2 ILE 5 -9.305 -7.564 -2.807 43 HD11 ILE 5 3HD1 ILE 5 -11.404 -7.127 -2.636 44 HD12 ILE 5 1HD1 ILE 5 -12.780 -6.772 -1.592 45 HD13 ILE 5 2HD1 ILE 5 -11.601 -7.993 -1.113 46 H PHE 6 H PHE 6 -7.813 -5.596 -3.040 47 HA PHE 6 HA PHE 6 -5.064 -4.608 -2.704 48 HB2 PHE 6 2HB PHE 6 -4.853 -5.474 -5.006 49 HB3 PHE 6 1HB PHE 6 -5.665 -6.654 -3.976 50 HD1 PHE 6 2HD PHE 6 -6.284 -3.924 -6.446 51 HD2 PHE 6 1HD PHE 6 -7.859 -7.396 -4.466 52 HE1 PHE 6 2HE PHE 6 -8.251 -3.894 -7.956 53 HE2 PHE 6 1HE PHE 6 -9.826 -7.365 -5.976 54 HZ PHE 6 HZ PHE 6 -10.022 -5.614 -7.721 55 H ARG 7 H ARG 7 -7.985 -3.110 -3.296 56 HA ARG 7 HA ARG 7 -7.603 -1.393 -5.489 57 HB2 ARG 7 2HB ARG 7 -8.892 -1.000 -2.774 58 HB3 ARG 7 1HB ARG 7 -9.089 0.139 -4.105 59 HG2 ARG 7 2HG ARG 7 -9.640 -2.784 -4.545 60 HG3 ARG 7 1HG ARG 7 -10.862 -1.762 -3.787 61 HD2 ARG 7 2HD ARG 7 -10.026 -0.225 -5.947 62 HD3 ARG 7 1HD ARG 7 -10.043 -1.877 -6.596 63 HE ARG 7 HE ARG 7 -12.381 -1.584 -5.031 64 HH11 ARG 7 1HH1 ARG 7 -11.543 -1.829 -8.174 65 HH12 ARG 7 2HH1 ARG 7 -12.772 -0.789 -8.814 66 HH21 ARG 7 1HH2 ARG 7 -13.718 0.440 -5.713 67 HH22 ARG 7 2HH2 ARG 7 -14.003 0.495 -7.421 68 2HA UVR 8 2HA UVR 8 -5.226 2.108 -3.594 69 1HA UVR 8 1HA UVR 8 -5.167 2.621 -5.284 70 1HB UVR 8 1HB UVR 8 -7.936 0.567 -6.135 71 2HB UVR 8 2HB UVR 8 -6.706 -0.230 -6.294 72 1HG UVR 8 1HG UVR 8 -5.254 0.513 -7.620 73 2HG UVR 8 2HG UVR 8 -6.857 0.106 -8.277 74 1HD UVR 8 1HD UVR 8 -6.683 2.975 -7.582 75 2HD UVR 8 2HD UVR 8 -5.341 2.551 -8.671 76 1HE UVR 8 1HE UVR 8 -8.114 3.106 -9.494 77 2HE UVR 8 2HE UVR 8 -8.039 1.788 -8.843 78 2HZ UVR 8 2HZ UVR 8 -6.939 1.157 -11.199 79 1HZ UVR 8 1HZ UVR 8 -7.423 0.271 -9.912 80 H ILE 9 H ILE 9 -3.440 2.073 -6.484 81 HA ILE 9 HA ILE 9 -1.436 0.106 -6.110 82 HB ILE 9 HB ILE 9 -1.989 1.688 -8.065 83 HG12 ILE 9 2HG1 ILE 9 0.604 1.862 -8.584 84 HG13 ILE 9 1HG1 ILE 9 0.735 0.866 -7.133 85 HG21 ILE 9 1HG2 ILE 9 0.117 3.478 -6.906 86 HG22 ILE 9 2HG2 ILE 9 -1.558 3.697 -6.401 87 HG23 ILE 9 3HG2 ILE 9 -1.125 3.844 -8.104 88 HD11 ILE 9 3HD1 ILE 9 -0.189 0.130 -9.804 89 HD12 ILE 9 1HD1 ILE 9 -1.351 -0.309 -8.550 90 HD13 ILE 9 2HD1 ILE 9 0.307 -0.907 -8.466 91 H VAL 10 H VAL 10 -1.911 3.193 -4.524 92 HA VAL 10 HA VAL 10 0.553 3.971 -3.580 93 HB VAL 10 HB VAL 10 -2.079 3.640 -2.111 94 HG11 VAL 10 1HG1 VAL 10 -0.898 4.168 -0.252 95 HG12 VAL 10 2HG1 VAL 10 -0.717 5.769 -0.970 96 HG13 VAL 10 3HG1 VAL 10 0.546 4.558 -1.187 97 HG21 VAL 10 3HG2 VAL 10 -2.642 5.275 -3.580 98 HG22 VAL 10 1HG2 VAL 10 -0.964 5.531 -4.060 99 HG23 VAL 10 2HG2 VAL 10 -1.599 6.321 -2.617 100 H HIS 11 H HIS 11 -1.195 1.038 -2.684 101 HA HIS 11 HA HIS 11 0.387 0.360 -0.371 102 HB2 HIS 11 2HB HIS 11 -1.880 -0.550 -1.628 103 HB3 HIS 11 1HB HIS 11 -0.723 -1.822 -2.022 104 HD1 HIS 11 1HD HIS 11 -1.580 0.197 1.116 105 HD2 HIS 11 2HD HIS 11 -0.671 -3.711 -0.018 106 HE1 HIS 11 1HE HIS 11 -1.662 -1.199 3.227 107 H VAL 12 H VAL 12 0.423 -1.219 -3.597 108 HA VAL 12 HA VAL 12 2.908 -2.545 -3.238 109 HB VAL 12 HB VAL 12 2.811 -2.724 -5.725 110 HG11 VAL 12 1HG1 VAL 12 1.078 -4.204 -5.616 111 HG12 VAL 12 2HG1 VAL 12 -0.043 -2.996 -4.988 112 HG13 VAL 12 3HG1 VAL 12 1.091 -3.798 -3.900 113 HG21 VAL 12 3HG2 VAL 12 0.277 -1.144 -5.743 114 HG22 VAL 12 1HG2 VAL 12 1.466 -1.372 -7.025 115 HG23 VAL 12 2HG2 VAL 12 1.793 -0.243 -5.710 116 H GLY 13 H GLY 13 2.202 0.753 -3.819 117 HA2 GLY 13 2HA GLY 13 4.837 1.389 -4.962 118 HA3 GLY 13 1HA GLY 13 3.581 2.557 -4.545 119 H LYS 14 H LYS 14 3.102 2.220 -1.937 120 HA LYS 14 HA LYS 14 5.186 3.490 -0.571 121 HB2 LYS 14 2HB LYS 14 2.807 3.295 0.124 122 HB3 LYS 14 1HB LYS 14 3.079 1.596 0.512 123 HG2 LYS 14 2HG LYS 14 5.140 3.018 1.811 124 HG3 LYS 14 1HG LYS 14 3.662 3.934 2.109 125 HD2 LYS 14 2HD LYS 14 2.689 1.482 2.556 126 HD3 LYS 14 1HD LYS 14 4.377 1.163 2.954 127 HE2 LYS 14 2HE LYS 14 2.951 3.567 4.104 128 HE3 LYS 14 1HE LYS 14 2.856 1.976 4.888 129 HZ1 LYS 14 3HZ LYS 14 5.461 3.007 3.985 130 HZ2 LYS 14 1HZ LYS 14 5.118 1.901 5.225 131 HZ3 LYS 14 2HZ LYS 14 4.818 3.556 5.459 132 H THR 15 H THR 15 4.806 0.095 -1.311 133 HA THR 15 HA THR 15 6.347 -1.150 0.674 134 HB THR 15 HB THR 15 6.425 -1.742 -2.292 135 HG1 THR 15 1HG THR 15 4.418 -2.423 -2.160 136 HG21 THR 15 3HG2 THR 15 7.205 -3.783 -1.699 137 HG22 THR 15 1HG2 THR 15 6.070 -3.918 -0.356 138 HG23 THR 15 2HG2 THR 15 7.583 -3.036 -0.147 139 H ILE 16 H ILE 16 7.372 0.577 -2.250 140 HA ILE 16 HA ILE 16 10.111 -0.004 -2.223 141 HB ILE 16 HB ILE 16 8.306 1.713 -3.516 142 HG12 ILE 16 2HG1 ILE 16 10.559 2.211 -4.856 143 HG13 ILE 16 1HG1 ILE 16 11.157 0.896 -3.844 144 HG21 ILE 16 1HG2 ILE 16 10.545 3.261 -2.190 145 HG22 ILE 16 2HG2 ILE 16 8.817 3.614 -2.160 146 HG23 ILE 16 3HG2 ILE 16 9.734 3.827 -3.651 147 HD11 ILE 16 3HD1 ILE 16 8.666 -0.008 -4.698 148 HD12 ILE 16 1HD1 ILE 16 10.229 -0.515 -5.343 149 HD13 ILE 16 2HD1 ILE 16 9.335 0.792 -6.121 150 H HIS 17 H HIS 17 8.407 2.621 -0.633 151 HA HIS 17 HA HIS 17 10.430 3.913 0.751 152 HB2 HIS 17 2HB HIS 17 7.586 3.592 0.875 153 HB3 HIS 17 1HB HIS 17 8.215 3.522 2.520 154 HD1 HIS 17 1HD HIS 17 6.726 5.972 0.767 155 HD2 HIS 17 2HD HIS 17 10.619 5.764 2.246 156 HE1 HIS 17 1HE HIS 17 7.547 8.361 0.960 157 H ARG 18 H ARG 18 8.595 1.061 1.879 158 HA ARG 18 HA ARG 18 10.257 0.655 4.181 159 HB2 ARG 18 2HB ARG 18 8.335 -1.179 2.744 160 HB3 ARG 18 1HB ARG 18 8.904 -1.377 4.404 161 HG2 ARG 18 2HG ARG 18 7.890 0.801 5.001 162 HG3 ARG 18 1HG ARG 18 7.296 0.968 3.349 163 HD2 ARG 18 2HD ARG 18 5.523 0.076 4.844 164 HD3 ARG 18 1HD ARG 18 5.983 -1.133 3.627 165 HE ARG 18 HE ARG 18 7.678 -1.407 5.922 166 HH11 ARG 18 1HH1 ARG 18 4.604 -2.159 4.572 167 HH12 ARG 18 2HH1 ARG 18 4.227 -3.364 5.757 168 HH21 ARG 18 1HH2 ARG 18 7.134 -2.862 7.581 169 HH22 ARG 18 2HH2 ARG 18 5.658 -3.762 7.461 170 H LEU 19 H LEU 19 10.501 -0.205 0.864 171 HA LEU 19 HA LEU 19 11.912 -2.599 0.852 172 HB2 LEU 19 2HB LEU 19 12.455 -1.980 -1.314 173 HB3 LEU 19 1HB LEU 19 11.220 -0.772 -0.982 174 HG LEU 19 HG LEU 19 13.189 0.679 -0.092 175 HD11 LEU 19 1HD1 LEU 19 14.556 -1.701 -0.937 176 HD12 LEU 19 2HD1 LEU 19 15.237 -0.250 -0.200 177 HD13 LEU 19 3HD1 LEU 19 15.077 -0.358 -1.954 178 HD21 LEU 19 3HD2 LEU 19 13.789 1.253 -2.559 179 HD22 LEU 19 1HD2 LEU 19 12.107 1.423 -2.056 180 HD23 LEU 19 2HD2 LEU 19 12.612 0.006 -2.977 181 H VAL 20 H VAL 20 12.925 0.546 1.879 182 HA VAL 20 HA VAL 20 15.631 -0.444 2.495 183 HB VAL 20 HB VAL 20 15.702 1.546 1.193 184 HG11 VAL 20 1HG1 VAL 20 13.435 2.423 2.988 185 HG12 VAL 20 2HG1 VAL 20 13.448 2.288 1.229 186 HG13 VAL 20 3HG1 VAL 20 14.348 3.582 2.021 187 HG21 VAL 20 3HG2 VAL 20 15.859 2.329 4.117 188 HG22 VAL 20 1HG2 VAL 20 16.543 3.258 2.783 189 HG23 VAL 20 2HG2 VAL 20 17.173 1.653 3.155 190 H THR 21 H THR 21 12.641 0.458 3.858 191 HA THR 21 HA THR 21 13.794 0.455 6.583 192 HB THR 21 HB THR 21 11.138 1.648 5.884 193 HG1 THR 21 1HG THR 21 12.277 2.724 4.429 194 HG21 THR 21 3HG2 THR 21 12.932 3.131 7.628 195 HG22 THR 21 1HG2 THR 21 12.705 1.474 8.189 196 HG23 THR 21 2HG2 THR 21 11.308 2.524 7.951 197 H GLY 22 H GLY 22 13.173 -1.991 5.324 198 HA2 GLY 22 1HA GLY 22 10.650 -3.070 5.492 199 HA3 GLY 22 2HA GLY 22 12.083 -3.980 5.969 Start of MODEL 2 1 H1 PHE 1 1HT PHE 1 -8.453 12.847 -1.287 2 H2 PHE 1 2HT PHE 1 -7.874 11.301 -1.689 3 H3 PHE 1 3HT PHE 1 -8.952 11.496 -0.389 4 HA PHE 1 HA PHE 1 -10.546 12.460 -2.169 5 HB2 PHE 1 2HB PHE 1 -8.155 11.708 -3.587 6 HB3 PHE 1 1HB PHE 1 -9.505 10.739 -4.181 7 HD1 PHE 1 1HD PHE 1 -11.820 12.375 -4.077 8 HD2 PHE 1 2HD PHE 1 -7.785 13.555 -4.962 9 HE1 PHE 1 1HE PHE 1 -12.670 14.331 -5.343 10 HE2 PHE 1 2HE PHE 1 -8.636 15.510 -6.228 11 HZ PHE 1 HZ PHE 1 -11.077 15.898 -6.419 12 H PHE 2 H PHE 2 -8.944 9.269 -2.551 13 HA PHE 2 HA PHE 2 -11.554 7.994 -1.849 14 HB2 PHE 2 2HB PHE 2 -9.775 7.681 -3.962 15 HB3 PHE 2 1HB PHE 2 -9.401 6.313 -2.916 16 HD1 PHE 2 2HD PHE 2 -12.389 6.364 -1.754 17 HD2 PHE 2 1HD PHE 2 -10.668 6.133 -5.686 18 HE1 PHE 2 2HE PHE 2 -14.410 5.189 -2.570 19 HE2 PHE 2 1HE PHE 2 -12.693 4.956 -6.499 20 HZ PHE 2 HZ PHE 2 -14.563 4.484 -4.941 21 H HIS 3 H HIS 3 -10.932 5.594 -0.927 22 HA HIS 3 HA HIS 3 -9.599 6.118 1.639 23 HB2 HIS 3 2HB HIS 3 -10.419 3.771 2.080 24 HB3 HIS 3 1HB HIS 3 -11.686 4.896 1.598 25 HD1 HIS 3 1HD HIS 3 -12.794 2.425 0.950 26 HD2 HIS 3 2HD HIS 3 -9.783 3.882 -1.538 27 HE1 HIS 3 1HE HIS 3 -12.985 1.150 -1.229 28 H HIS 4 H HIS 4 -7.353 6.177 1.337 29 HA HIS 4 HA HIS 4 -5.877 4.486 -0.419 30 HB2 HIS 4 2HB HIS 4 -5.439 6.465 1.699 31 HB3 HIS 4 1HB HIS 4 -4.162 5.252 1.613 32 HD1 HIS 4 1HD HIS 4 -6.050 6.304 -1.458 33 HD2 HIS 4 2HD HIS 4 -2.340 7.006 0.308 34 HE1 HIS 4 1HE HIS 4 -4.646 7.501 -3.194 35 H ILE 5 H ILE 5 -7.400 2.563 0.590 36 HA ILE 5 HA ILE 5 -6.274 1.365 3.029 37 HB ILE 5 HB ILE 5 -8.690 1.336 2.369 38 HG12 ILE 5 2HG1 ILE 5 -7.599 -1.482 2.377 39 HG13 ILE 5 1HG1 ILE 5 -7.519 -0.457 3.811 40 HG21 ILE 5 1HG2 ILE 5 -8.888 -0.745 0.576 41 HG22 ILE 5 2HG2 ILE 5 -7.492 0.138 -0.039 42 HG23 ILE 5 3HG2 ILE 5 -9.039 0.961 0.157 43 HD11 ILE 5 3HD1 ILE 5 -10.153 -0.222 2.780 44 HD12 ILE 5 1HD1 ILE 5 -9.651 -0.996 4.283 45 HD13 ILE 5 2HD1 ILE 5 -9.762 -1.942 2.798 46 H PHE 6 H PHE 6 -5.764 -1.116 2.800 47 HA PHE 6 HA PHE 6 -3.372 -1.595 1.511 48 HB2 PHE 6 2HB PHE 6 -4.478 -3.107 3.098 49 HB3 PHE 6 1HB PHE 6 -5.722 -3.478 1.904 50 HD1 PHE 6 2HD PHE 6 -5.050 -4.602 -0.268 51 HD2 PHE 6 1HD PHE 6 -2.384 -4.231 3.079 52 HE1 PHE 6 2HE PHE 6 -3.615 -6.391 -1.213 53 HE2 PHE 6 1HE PHE 6 -0.950 -6.020 2.135 54 HZ PHE 6 HZ PHE 6 -1.565 -7.100 -0.011 55 H ARG 7 H ARG 7 -6.557 -1.486 0.036 56 HA ARG 7 HA ARG 7 -5.881 -2.831 -2.431 57 HB2 ARG 7 2HB ARG 7 -8.011 -0.881 -1.529 58 HB3 ARG 7 1HB ARG 7 -7.989 -1.549 -3.161 59 HG2 ARG 7 2HG ARG 7 -7.631 -3.609 -1.120 60 HG3 ARG 7 1HG ARG 7 -9.155 -2.740 -0.933 61 HD2 ARG 7 2HD ARG 7 -10.030 -3.657 -2.826 62 HD3 ARG 7 1HD ARG 7 -8.519 -3.437 -3.731 63 HE ARG 7 HE ARG 7 -8.137 -5.441 -1.715 64 HH11 ARG 7 1HH1 ARG 7 -10.836 -5.765 -3.400 65 HH12 ARG 7 2HH1 ARG 7 -10.313 -7.012 -4.483 66 HH21 ARG 7 1HH2 ARG 7 -6.957 -6.665 -3.684 67 HH22 ARG 7 2HH2 ARG 7 -8.117 -7.520 -4.645 68 2HA UVR 8 2HA UVR 8 -5.057 1.156 -4.753 69 1HA UVR 8 1HA UVR 8 -5.155 0.102 -6.171 70 1HB UVR 8 1HB UVR 8 -6.585 -2.738 -4.259 71 2HB UVR 8 2HB UVR 8 -5.125 -2.617 -4.423 72 1HG UVR 8 1HG UVR 8 -4.387 -2.475 -6.371 73 2HG UVR 8 2HG UVR 8 -5.303 -3.941 -5.948 74 1HD UVR 8 1HD UVR 8 -7.333 -2.732 -7.144 75 2HD UVR 8 2HD UVR 8 -6.121 -1.647 -7.865 76 1HE UVR 8 1HE UVR 8 -6.706 -3.749 -9.393 77 2HE UVR 8 2HE UVR 8 -6.813 -4.289 -8.027 78 2HZ UVR 8 2HZ UVR 8 -5.504 -5.689 -8.884 79 1HZ UVR 8 1HZ UVR 8 -4.217 -4.764 -8.480 80 H ILE 9 H ILE 9 -3.290 0.802 -7.035 81 HA ILE 9 HA ILE 9 -0.816 -0.453 -6.563 82 HB ILE 9 HB ILE 9 -1.645 2.060 -7.940 83 HG12 ILE 9 2HG1 ILE 9 -0.771 0.432 -9.872 84 HG13 ILE 9 1HG1 ILE 9 -1.170 -0.789 -8.664 85 HG21 ILE 9 1HG2 ILE 9 1.095 0.777 -7.974 86 HG22 ILE 9 2HG2 ILE 9 0.704 2.339 -7.253 87 HG23 ILE 9 3HG2 ILE 9 0.583 2.119 -8.999 88 HD11 ILE 9 3HD1 ILE 9 -3.028 -0.043 -10.330 89 HD12 ILE 9 1HD1 ILE 9 -3.128 1.401 -9.323 90 HD13 ILE 9 2HD1 ILE 9 -3.442 -0.187 -8.622 91 H VAL 10 H VAL 10 -2.075 2.585 -5.269 92 HA VAL 10 HA VAL 10 0.156 3.874 -4.265 93 HB VAL 10 HB VAL 10 -2.395 4.304 -4.024 94 HG11 VAL 10 1HG1 VAL 10 -1.839 2.744 -1.480 95 HG12 VAL 10 2HG1 VAL 10 -2.911 2.237 -2.785 96 HG13 VAL 10 3HG1 VAL 10 -3.311 3.656 -1.817 97 HG21 VAL 10 3HG2 VAL 10 -1.162 4.991 -1.437 98 HG22 VAL 10 1HG2 VAL 10 -1.796 6.049 -2.698 99 HG23 VAL 10 2HG2 VAL 10 -0.168 5.384 -2.841 100 H HIS 11 H HIS 11 -1.400 0.972 -2.904 101 HA HIS 11 HA HIS 11 0.286 0.778 -0.574 102 HB2 HIS 11 2HB HIS 11 -1.947 -0.301 -0.947 103 HB3 HIS 11 1HB HIS 11 -1.190 -1.377 -2.121 104 HD1 HIS 11 1HD HIS 11 0.429 -0.317 1.126 105 HD2 HIS 11 2HD HIS 11 -1.288 -3.719 -0.563 106 HE1 HIS 11 1HE HIS 11 0.922 -2.230 2.711 107 H VAL 12 H VAL 12 0.427 -0.758 -3.807 108 HA VAL 12 HA VAL 12 2.738 -2.356 -3.345 109 HB VAL 12 HB VAL 12 1.925 -1.017 -5.935 110 HG11 VAL 12 1HG1 VAL 12 2.510 -3.546 -6.573 111 HG12 VAL 12 2HG1 VAL 12 3.484 -3.419 -5.110 112 HG13 VAL 12 3HG1 VAL 12 3.759 -2.309 -6.452 113 HG21 VAL 12 3HG2 VAL 12 0.532 -3.084 -4.281 114 HG22 VAL 12 1HG2 VAL 12 0.544 -3.305 -6.031 115 HG23 VAL 12 2HG2 VAL 12 -0.150 -1.843 -5.332 116 H GLY 13 H GLY 13 2.377 1.018 -3.581 117 HA2 GLY 13 2HA GLY 13 5.129 1.505 -4.527 118 HA3 GLY 13 1HA GLY 13 3.944 2.745 -4.111 119 H LYS 14 H LYS 14 3.223 2.196 -1.572 120 HA LYS 14 HA LYS 14 5.160 3.263 0.086 121 HB2 LYS 14 2HB LYS 14 2.626 2.378 0.345 122 HB3 LYS 14 1HB LYS 14 3.465 1.090 1.211 123 HG2 LYS 14 2HG LYS 14 2.964 2.750 2.853 124 HG3 LYS 14 1HG LYS 14 4.681 2.935 2.493 125 HD2 LYS 14 2HD LYS 14 4.275 4.829 1.082 126 HD3 LYS 14 1HD LYS 14 2.534 4.544 1.093 127 HE2 LYS 14 2HE LYS 14 2.260 5.478 3.184 128 HE3 LYS 14 1HE LYS 14 3.853 4.933 3.746 129 HZ1 LYS 14 3HZ LYS 14 3.836 7.329 3.341 130 HZ2 LYS 14 1HZ LYS 14 3.377 7.065 1.730 131 HZ3 LYS 14 2HZ LYS 14 4.896 6.535 2.276 132 H THR 15 H THR 15 4.881 -0.096 -0.976 133 HA THR 15 HA THR 15 6.580 -1.369 0.874 134 HB THR 15 HB THR 15 6.461 -1.884 -2.109 135 HG1 THR 15 1HG THR 15 4.599 -2.503 -0.066 136 HG21 THR 15 3HG2 THR 15 6.326 -4.295 -0.917 137 HG22 THR 15 1HG2 THR 15 7.218 -3.415 0.324 138 HG23 THR 15 2HG2 THR 15 7.860 -3.518 -1.316 139 H ILE 16 H ILE 16 7.355 0.397 -2.117 140 HA ILE 16 HA ILE 16 10.123 -0.041 -2.204 141 HB ILE 16 HB ILE 16 8.184 1.489 -3.499 142 HG12 ILE 16 2HG1 ILE 16 10.070 2.009 -5.079 143 HG13 ILE 16 1HG1 ILE 16 11.183 1.335 -3.887 144 HG21 ILE 16 1HG2 ILE 16 10.284 3.290 -2.260 145 HG22 ILE 16 2HG2 ILE 16 8.531 3.451 -2.158 146 HG23 ILE 16 3HG2 ILE 16 9.354 3.738 -3.692 147 HD11 ILE 16 3HD1 ILE 16 9.607 -0.066 -5.822 148 HD12 ILE 16 1HD1 ILE 16 9.036 -0.516 -4.215 149 HD13 ILE 16 2HD1 ILE 16 10.735 -0.735 -4.642 150 H HIS 17 H HIS 17 8.278 2.391 -0.483 151 HA HIS 17 HA HIS 17 10.335 3.869 0.704 152 HB2 HIS 17 2HB HIS 17 7.503 3.455 0.954 153 HB3 HIS 17 1HB HIS 17 8.206 3.516 2.571 154 HD1 HIS 17 1HD HIS 17 10.389 5.547 2.324 155 HD2 HIS 17 2HD HIS 17 6.702 6.055 0.445 156 HE1 HIS 17 1HE HIS 17 10.142 8.031 1.890 157 H ARG 18 H ARG 18 8.672 0.966 1.988 158 HA ARG 18 HA ARG 18 10.490 0.759 4.218 159 HB2 ARG 18 2HB ARG 18 8.413 -1.116 3.086 160 HB3 ARG 18 1HB ARG 18 9.205 -1.312 4.651 161 HG2 ARG 18 2HG ARG 18 8.076 1.367 4.273 162 HG3 ARG 18 1HG ARG 18 6.858 0.092 4.220 163 HD2 ARG 18 2HD ARG 18 7.402 -0.679 6.400 164 HD3 ARG 18 1HD ARG 18 8.947 0.193 6.408 165 HE ARG 18 HE ARG 18 7.282 2.271 6.107 166 HH11 ARG 18 1HH1 ARG 18 5.387 -0.116 7.143 167 HH12 ARG 18 2HH1 ARG 18 5.126 0.460 8.755 168 HH21 ARG 18 1HH2 ARG 18 7.635 2.848 8.593 169 HH22 ARG 18 2HH2 ARG 18 6.397 2.139 9.576 170 H LEU 19 H LEU 19 10.447 -0.350 0.968 171 HA LEU 19 HA LEU 19 11.932 -2.721 1.085 172 HB2 LEU 19 2HB LEU 19 11.436 -2.344 -1.102 173 HB3 LEU 19 1HB LEU 19 11.267 -0.617 -0.823 174 HG LEU 19 HG LEU 19 13.784 -0.441 -0.875 175 HD11 LEU 19 1HD1 LEU 19 13.822 -3.119 -2.219 176 HD12 LEU 19 2HD1 LEU 19 13.870 -3.059 -0.458 177 HD13 LEU 19 3HD1 LEU 19 15.127 -2.260 -1.401 178 HD21 LEU 19 3HD2 LEU 19 13.334 -1.591 -3.499 179 HD22 LEU 19 1HD2 LEU 19 13.513 0.105 -3.047 180 HD23 LEU 19 2HD2 LEU 19 11.926 -0.662 -2.982 181 H VAL 20 H VAL 20 12.842 0.521 1.762 182 HA VAL 20 HA VAL 20 15.693 -0.202 1.949 183 HB VAL 20 HB VAL 20 15.370 1.735 0.606 184 HG11 VAL 20 1HG1 VAL 20 13.974 3.665 1.528 185 HG12 VAL 20 2HG1 VAL 20 13.389 2.536 2.749 186 HG13 VAL 20 3HG1 VAL 20 13.068 2.233 1.041 187 HG21 VAL 20 3HG2 VAL 20 15.844 2.795 3.403 188 HG22 VAL 20 1HG2 VAL 20 16.410 3.505 1.892 189 HG23 VAL 20 2HG2 VAL 20 17.072 1.967 2.447 190 H THR 21 H THR 21 12.889 0.427 3.770 191 HA THR 21 HA THR 21 13.930 1.490 6.176 192 HB THR 21 HB THR 21 11.549 -0.198 5.428 193 HG1 THR 21 1HG THR 21 10.593 1.898 6.105 194 HG21 THR 21 3HG2 THR 21 11.048 1.009 7.915 195 HG22 THR 21 1HG2 THR 21 12.638 0.260 8.075 196 HG23 THR 21 2HG2 THR 21 11.247 -0.716 7.598 197 H GLY 22 H GLY 22 15.994 -0.008 5.975 198 HA2 GLY 22 1HA GLY 22 16.098 -2.721 6.435 199 HA3 GLY 22 2HA GLY 22 17.236 -1.605 7.188 Start of MODEL 3 1 H1 PHE 1 1HT PHE 1 -6.575 12.192 -18.294 2 H2 PHE 1 2HT PHE 1 -8.189 12.121 -17.768 3 H3 PHE 1 3HT PHE 1 -6.932 12.301 -16.640 4 HA PHE 1 HA PHE 1 -7.099 14.348 -18.715 5 HB2 PHE 1 2HB PHE 1 -8.936 15.409 -17.232 6 HB3 PHE 1 1HB PHE 1 -9.426 14.096 -18.303 7 HD1 PHE 1 1HD PHE 1 -8.036 14.585 -14.846 8 HD2 PHE 1 2HD PHE 1 -10.685 12.363 -17.394 9 HE1 PHE 1 1HE PHE 1 -8.822 13.279 -12.891 10 HE2 PHE 1 2HE PHE 1 -11.472 11.057 -15.439 11 HZ PHE 1 HZ PHE 1 -10.539 11.514 -13.187 12 H PHE 2 H PHE 2 -5.033 13.353 -16.922 13 HA PHE 2 HA PHE 2 -4.140 15.802 -15.737 14 HB2 PHE 2 2HB PHE 2 -6.099 14.298 -14.280 15 HB3 PHE 2 1HB PHE 2 -4.576 14.227 -13.394 16 HD1 PHE 2 2HD PHE 2 -3.300 16.461 -13.053 17 HD2 PHE 2 1HD PHE 2 -7.442 16.226 -14.167 18 HE1 PHE 2 2HE PHE 2 -3.642 18.791 -12.275 19 HE2 PHE 2 1HE PHE 2 -7.783 18.555 -13.390 20 HZ PHE 2 HZ PHE 2 -5.883 19.838 -12.444 21 H HIS 3 H HIS 3 -4.063 12.413 -14.561 22 HA HIS 3 HA HIS 3 -2.236 10.933 -14.314 23 HB2 HIS 3 2HB HIS 3 -2.143 12.173 -16.833 24 HB3 HIS 3 1HB HIS 3 -0.493 12.274 -16.218 25 HD1 HIS 3 1HD HIS 3 -3.048 9.858 -17.438 26 HD2 HIS 3 2HD HIS 3 0.725 9.710 -15.669 27 HE1 HIS 3 1HE HIS 3 -2.224 7.479 -17.706 28 H HIS 4 H HIS 4 -1.572 11.614 -12.207 29 HA HIS 4 HA HIS 4 -0.130 13.956 -11.569 30 HB2 HIS 4 2HB HIS 4 -0.031 11.194 -10.319 31 HB3 HIS 4 1HB HIS 4 0.411 12.702 -9.518 32 HD1 HIS 4 1HD HIS 4 -2.019 14.350 -10.804 33 HD2 HIS 4 2HD HIS 4 -2.328 10.764 -8.702 34 HE1 HIS 4 1HE HIS 4 -4.388 14.242 -9.917 35 H ILE 5 H ILE 5 2.119 12.410 -10.210 36 HA ILE 5 HA ILE 5 4.097 12.761 -12.333 37 HB ILE 5 HB ILE 5 4.043 12.054 -9.407 38 HG12 ILE 5 2HG1 ILE 5 3.914 14.424 -10.312 39 HG13 ILE 5 1HG1 ILE 5 5.246 14.127 -9.192 40 HG21 ILE 5 1HG2 ILE 5 6.189 11.449 -11.361 41 HG22 ILE 5 2HG2 ILE 5 5.873 10.735 -9.780 42 HG23 ILE 5 3HG2 ILE 5 6.707 12.284 -9.897 43 HD11 ILE 5 3HD1 ILE 5 5.386 15.043 -11.899 44 HD12 ILE 5 1HD1 ILE 5 6.150 13.456 -11.817 45 HD13 ILE 5 2HD1 ILE 5 6.714 14.761 -10.773 46 H PHE 6 H PHE 6 5.530 11.058 -13.067 47 HA PHE 6 HA PHE 6 4.499 8.737 -14.087 48 HB2 PHE 6 2HB PHE 6 7.144 9.684 -13.156 49 HB3 PHE 6 1HB PHE 6 7.019 7.943 -13.397 50 HD1 PHE 6 1HD PHE 6 5.538 10.913 -15.150 51 HD2 PHE 6 2HD PHE 6 7.887 7.331 -15.476 52 HE1 PHE 6 1HE PHE 6 5.705 11.245 -17.602 53 HE2 PHE 6 2HE PHE 6 8.052 7.663 -17.927 54 HZ PHE 6 HZ PHE 6 6.960 9.620 -18.991 55 H ARG 7 H ARG 7 5.644 9.167 -10.748 56 HA ARG 7 HA ARG 7 5.747 6.603 -9.733 57 HB2 ARG 7 2HB ARG 7 5.015 7.621 -7.627 58 HB3 ARG 7 1HB ARG 7 6.034 8.762 -8.506 59 HG2 ARG 7 2HG ARG 7 4.275 10.169 -9.000 60 HG3 ARG 7 1HG ARG 7 3.095 8.858 -9.021 61 HD2 ARG 7 2HD ARG 7 2.836 10.393 -7.038 62 HD3 ARG 7 1HD ARG 7 3.167 8.713 -6.570 63 HE ARG 7 HE ARG 7 5.686 9.650 -6.718 64 HH11 ARG 7 1HH2 ARG 7 4.564 12.462 -6.603 65 HH12 ARG 7 2HH2 ARG 7 4.637 12.794 -4.905 66 HH21 ARG 7 1HH1 ARG 7 5.037 9.469 -4.004 67 HH22 ARG 7 2HH1 ARG 7 4.905 11.099 -3.432 68 2HA UVR 8 2HA UVR 8 2.143 3.829 -9.291 69 1HA UVR 8 1HA UVR 8 1.382 5.317 -9.871 70 1HB UVR 8 1HB UVR 8 4.240 5.585 -7.017 71 2HB UVR 8 2HB UVR 8 4.847 6.044 -8.278 72 1HG UVR 8 1HG UVR 8 5.718 4.167 -9.381 73 2HG UVR 8 2HG UVR 8 6.507 5.229 -8.191 74 1HD UVR 8 1HD UVR 8 5.924 3.546 -6.376 75 2HD UVR 8 2HD UVR 8 5.239 2.446 -7.597 76 1HE UVR 8 1HE UVR 8 8.033 3.150 -8.469 77 2HE UVR 8 2HE UVR 8 6.953 2.155 -8.550 78 2HZ UVR 8 2HZ UVR 8 8.125 1.297 -6.305 79 1HZ UVR 8 1HZ UVR 8 6.965 0.683 -7.282 80 H ILE 9 H ILE 9 0.249 3.298 -8.281 81 HA ILE 9 HA ILE 9 -1.285 4.700 -6.365 82 HB ILE 9 HB ILE 9 -1.514 2.377 -7.587 83 HG12 ILE 9 2HG1 ILE 9 -2.757 1.759 -5.148 84 HG13 ILE 9 1HG1 ILE 9 -2.687 3.521 -5.190 85 HG21 ILE 9 1HG2 ILE 9 0.547 1.532 -6.263 86 HG22 ILE 9 2HG2 ILE 9 -0.850 0.463 -6.375 87 HG23 ILE 9 3HG2 ILE 9 -0.562 1.387 -4.900 88 HD11 ILE 9 3HD1 ILE 9 -3.418 2.455 -7.787 89 HD12 ILE 9 1HD1 ILE 9 -4.277 3.621 -6.781 90 HD13 ILE 9 2HD1 ILE 9 -4.530 1.892 -6.539 91 H VAL 10 H VAL 10 -1.288 3.423 -3.963 92 HA VAL 10 HA VAL 10 1.381 4.146 -2.829 93 HB VAL 10 HB VAL 10 -0.049 4.205 -0.688 94 HG11 VAL 10 1HG1 VAL 10 0.530 6.072 -2.599 95 HG12 VAL 10 2HG1 VAL 10 -0.269 6.434 -1.068 96 HG13 VAL 10 3HG1 VAL 10 -1.229 6.185 -2.528 97 HG21 VAL 10 3HG2 VAL 10 -2.416 4.234 -0.908 98 HG22 VAL 10 1HG2 VAL 10 -1.900 2.839 -1.855 99 HG23 VAL 10 2HG2 VAL 10 -2.331 4.345 -2.666 100 H HIS 11 H HIS 11 -0.990 1.548 -3.062 101 HA HIS 11 HA HIS 11 -0.072 -0.197 -1.030 102 HB2 HIS 11 2HB HIS 11 -2.112 -0.366 -2.522 103 HB3 HIS 11 1HB HIS 11 -1.045 -0.935 -3.807 104 HD1 HIS 11 1HD HIS 11 -3.167 -2.241 -1.280 105 HD2 HIS 11 2HD HIS 11 0.627 -3.282 -2.662 106 HE1 HIS 11 1HE HIS 11 -2.767 -4.631 -0.542 107 H VAL 12 H VAL 12 0.691 -0.644 -4.503 108 HA VAL 12 HA VAL 12 3.001 -2.288 -3.949 109 HB VAL 12 HB VAL 12 3.320 -1.985 -6.432 110 HG11 VAL 12 1HG1 VAL 12 0.424 -2.436 -6.266 111 HG12 VAL 12 2HG1 VAL 12 1.338 -3.337 -5.056 112 HG13 VAL 12 3HG1 VAL 12 1.706 -3.539 -6.769 113 HG21 VAL 12 3HG2 VAL 12 0.750 -0.498 -6.582 114 HG22 VAL 12 1HG2 VAL 12 2.170 -0.398 -7.622 115 HG23 VAL 12 2HG2 VAL 12 2.156 0.434 -6.067 116 H GLY 13 H GLY 13 2.565 1.017 -3.634 117 HA2 GLY 13 2HA GLY 13 5.368 1.669 -4.390 118 HA3 GLY 13 1HA GLY 13 4.104 2.852 -4.051 119 H LYS 14 H LYS 14 3.176 2.524 -1.686 120 HA LYS 14 HA LYS 14 4.979 3.354 0.218 121 HB2 LYS 14 2HB LYS 14 2.470 3.106 0.372 122 HB3 LYS 14 1HB LYS 14 2.720 1.393 0.705 123 HG2 LYS 14 2HG LYS 14 2.647 2.210 2.869 124 HG3 LYS 14 1HG LYS 14 4.378 2.342 2.551 125 HD2 LYS 14 2HD LYS 14 4.279 4.654 2.232 126 HD3 LYS 14 1HD LYS 14 2.558 4.627 1.847 127 HE2 LYS 14 2HE LYS 14 1.922 4.617 4.068 128 HE3 LYS 14 1HE LYS 14 3.361 3.713 4.580 129 HZ1 LYS 14 3HZ LYS 14 3.136 6.324 4.939 130 HZ2 LYS 14 1HZ LYS 14 3.805 6.332 3.380 131 HZ3 LYS 14 2HZ LYS 14 4.631 5.569 4.654 132 H THR 15 H THR 15 4.434 0.014 -0.835 133 HA THR 15 HA THR 15 5.892 -1.298 1.224 134 HB THR 15 HB THR 15 5.829 -2.262 -1.618 135 HG1 THR 15 1HG THR 15 3.560 -2.333 0.052 136 HG21 THR 15 3HG2 THR 15 6.687 -3.842 -0.069 137 HG22 THR 15 1HG2 THR 15 5.014 -4.335 -0.335 138 HG23 THR 15 2HG2 THR 15 5.452 -3.455 1.130 139 H ILE 16 H ILE 16 6.899 -0.276 -2.054 140 HA ILE 16 HA ILE 16 9.592 -1.054 -1.899 141 HB ILE 16 HB ILE 16 7.866 0.376 -3.608 142 HG12 ILE 16 2HG1 ILE 16 9.960 0.173 -5.151 143 HG13 ILE 16 1HG1 ILE 16 10.683 -0.667 -3.779 144 HG21 ILE 16 1HG2 ILE 16 10.444 1.934 -3.293 145 HG22 ILE 16 2HG2 ILE 16 8.936 2.447 -2.536 146 HG23 ILE 16 3HG2 ILE 16 9.048 2.338 -4.293 147 HD11 ILE 16 3HD1 ILE 16 8.509 -1.536 -5.593 148 HD12 ILE 16 1HD1 ILE 16 8.258 -1.896 -3.884 149 HD13 ILE 16 2HD1 ILE 16 9.694 -2.500 -4.711 150 H HIS 17 H HIS 17 7.990 1.832 -0.764 151 HA HIS 17 HA HIS 17 10.200 3.393 -0.011 152 HB2 HIS 17 2HB HIS 17 7.352 3.263 0.382 153 HB3 HIS 17 1HB HIS 17 8.127 3.699 1.904 154 HD1 HIS 17 1HD HIS 17 10.487 5.356 0.917 155 HD2 HIS 17 2HD HIS 17 6.636 5.757 -0.629 156 HE1 HIS 17 1HE HIS 17 10.364 7.671 -0.108 157 H ARG 18 H ARG 18 8.615 0.692 1.621 158 HA ARG 18 HA ARG 18 10.020 1.007 4.099 159 HB2 ARG 18 2HB ARG 18 8.402 -1.157 2.790 160 HB3 ARG 18 1HB ARG 18 9.119 -1.375 4.387 161 HG2 ARG 18 2HG ARG 18 7.910 1.123 4.552 162 HG3 ARG 18 1HG ARG 18 6.763 0.168 3.610 163 HD2 ARG 18 2HD ARG 18 6.171 -1.070 5.423 164 HD3 ARG 18 1HD ARG 18 7.865 -1.317 5.894 165 HE ARG 18 HE ARG 18 6.159 0.955 6.724 166 HH11 ARG 18 1HH2 ARG 18 8.131 -0.979 8.248 167 HH12 ARG 18 2HH2 ARG 18 9.328 0.173 8.736 168 HH21 ARG 18 1HH1 ARG 18 8.191 2.657 6.599 169 HH22 ARG 18 2HH1 ARG 18 9.362 2.232 7.802 170 H LEU 19 H LEU 19 10.540 -0.845 1.174 171 HA LEU 19 HA LEU 19 12.503 -2.656 1.928 172 HB2 LEU 19 2HB LEU 19 11.865 -1.064 -0.501 173 HB3 LEU 19 1HB LEU 19 13.425 -1.885 -0.475 174 HG LEU 19 HG LEU 19 12.021 -3.948 0.328 175 HD11 LEU 19 1HD1 LEU 19 9.991 -1.958 -0.302 176 HD12 LEU 19 2HD1 LEU 19 9.812 -3.520 0.497 177 HD13 LEU 19 3HD1 LEU 19 9.784 -3.421 -1.264 178 HD21 LEU 19 3HD2 LEU 19 12.323 -4.728 -1.792 179 HD22 LEU 19 1HD2 LEU 19 13.073 -3.157 -2.077 180 HD23 LEU 19 2HD2 LEU 19 11.382 -3.418 -2.505 181 H VAL 20 H VAL 20 13.000 0.693 0.958 182 HA VAL 20 HA VAL 20 15.810 0.702 1.585 183 HB VAL 20 HB VAL 20 15.014 2.185 -0.105 184 HG11 VAL 20 1HG1 VAL 20 12.696 2.390 0.302 185 HG12 VAL 20 2HG1 VAL 20 13.311 4.006 0.646 186 HG13 VAL 20 3HG1 VAL 20 12.952 2.901 1.971 187 HG21 VAL 20 3HG2 VAL 20 15.395 3.803 2.420 188 HG22 VAL 20 1HG2 VAL 20 15.645 4.385 0.774 189 HG23 VAL 20 2HG2 VAL 20 16.705 3.142 1.442 190 H THR 21 H THR 21 13.086 0.764 3.511 191 HA THR 21 HA THR 21 13.176 2.578 5.502 192 HB THR 21 HB THR 21 13.057 -0.427 5.653 193 HG1 THR 21 1HG THR 21 11.116 1.599 6.035 194 HG21 THR 21 3HG2 THR 21 11.886 0.337 7.968 195 HG22 THR 21 1HG2 THR 21 13.156 1.556 7.858 196 HG23 THR 21 2HG2 THR 21 13.575 -0.156 7.864 197 H GLY 22 H GLY 22 15.661 0.186 4.950 198 HA2 GLY 22 1HA GLY 22 17.709 1.665 6.205 199 HA3 GLY 22 2HA GLY 22 17.122 0.459 7.345 Start of MODEL 4 1 H1 PHE 1 1HT PHE 1 -12.495 7.229 4.081 2 H2 PHE 1 2HT PHE 1 -11.677 6.307 2.911 3 H3 PHE 1 3HT PHE 1 -12.399 7.785 2.481 4 HA PHE 1 HA PHE 1 -10.831 9.004 3.850 5 HB2 PHE 1 2HB PHE 1 -10.663 6.378 4.975 6 HB3 PHE 1 1HB PHE 1 -9.044 6.855 4.463 7 HD1 PHE 1 1HD PHE 1 -8.819 9.650 4.870 8 HD2 PHE 1 2HD PHE 1 -10.987 6.801 7.243 9 HE1 PHE 1 1HE PHE 1 -8.638 11.150 6.836 10 HE2 PHE 1 2HE PHE 1 -10.805 8.301 9.209 11 HZ PHE 1 HZ PHE 1 -9.631 10.475 9.007 12 H PHE 2 H PHE 2 -10.567 9.524 1.518 13 HA PHE 2 HA PHE 2 -9.204 9.721 -0.402 14 HB2 PHE 2 2HB PHE 2 -7.240 8.119 1.260 15 HB3 PHE 2 1HB PHE 2 -6.868 9.284 -0.011 16 HD1 PHE 2 1HD PHE 2 -8.612 11.536 0.562 17 HD2 PHE 2 2HD PHE 2 -6.453 9.007 3.283 18 HE1 PHE 2 1HE PHE 2 -8.587 13.362 2.240 19 HE2 PHE 2 2HE PHE 2 -6.429 10.834 4.960 20 HZ PHE 2 HZ PHE 2 -7.496 13.011 4.440 21 H HIS 3 H HIS 3 -10.958 7.297 0.056 22 HA HIS 3 HA HIS 3 -9.493 5.395 -1.740 23 HB2 HIS 3 2HB HIS 3 -9.962 3.798 -0.206 24 HB3 HIS 3 1HB HIS 3 -10.562 5.069 0.852 25 HD1 HIS 3 1HD HIS 3 -13.111 5.312 1.104 26 HD2 HIS 3 2HD HIS 3 -12.011 2.371 -1.638 27 HE1 HIS 3 1HE HIS 3 -15.218 4.015 0.560 28 H HIS 4 H HIS 4 -12.223 7.437 -1.351 29 HA HIS 4 HA HIS 4 -14.341 6.338 -2.709 30 HB2 HIS 4 2HB HIS 4 -13.109 9.067 -3.206 31 HB3 HIS 4 1HB HIS 4 -14.801 8.632 -3.456 32 HD1 HIS 4 1HD HIS 4 -16.176 7.971 -1.258 33 HD2 HIS 4 2HD HIS 4 -12.460 9.731 -0.568 34 HE1 HIS 4 1HE HIS 4 -16.166 8.698 1.168 35 H ILE 5 H ILE 5 -11.342 7.568 -4.194 36 HA ILE 5 HA ILE 5 -12.257 6.910 -6.908 37 HB ILE 5 HB ILE 5 -9.781 8.024 -5.593 38 HG12 ILE 5 2HG1 ILE 5 -11.651 9.551 -5.951 39 HG13 ILE 5 1HG1 ILE 5 -10.357 9.952 -7.081 40 HG21 ILE 5 1HG2 ILE 5 -9.000 6.553 -7.402 41 HG22 ILE 5 2HG2 ILE 5 -8.782 8.246 -7.846 42 HG23 ILE 5 3HG2 ILE 5 -10.122 7.321 -8.524 43 HD11 ILE 5 3HD1 ILE 5 -12.279 9.946 -8.444 44 HD12 ILE 5 1HD1 ILE 5 -12.960 8.537 -7.630 45 HD13 ILE 5 2HD1 ILE 5 -11.583 8.348 -8.715 46 H PHE 6 H PHE 6 -11.067 5.342 -8.260 47 HA PHE 6 HA PHE 6 -10.433 2.876 -6.782 48 HB2 PHE 6 2HB PHE 6 -11.704 3.417 -9.093 49 HB3 PHE 6 1HB PHE 6 -10.081 3.153 -9.731 50 HD1 PHE 6 1HD PHE 6 -8.856 1.000 -9.084 51 HD2 PHE 6 2HD PHE 6 -13.062 1.593 -8.446 52 HE1 PHE 6 1HE PHE 6 -9.169 -1.451 -8.870 53 HE2 PHE 6 2HE PHE 6 -13.375 -0.859 -8.232 54 HZ PHE 6 HZ PHE 6 -11.429 -2.380 -8.444 55 H ARG 7 H ARG 7 -8.485 4.650 -6.052 56 HA ARG 7 HA ARG 7 -6.153 4.163 -7.845 57 HB2 ARG 7 2HB ARG 7 -7.133 6.345 -6.353 58 HB3 ARG 7 1HB ARG 7 -5.671 5.819 -5.516 59 HG2 ARG 7 2HG ARG 7 -5.446 5.903 -8.461 60 HG3 ARG 7 1HG ARG 7 -5.672 7.474 -7.691 61 HD2 ARG 7 2HD ARG 7 -3.699 5.648 -6.400 62 HD3 ARG 7 1HD ARG 7 -3.229 6.367 -7.954 63 HE ARG 7 HE ARG 7 -3.042 8.418 -6.813 64 HH11 ARG 7 1HH1 ARG 7 -3.044 7.167 -4.124 65 HH12 ARG 7 2HH1 ARG 7 -4.406 7.913 -3.357 66 HH21 ARG 7 1HH2 ARG 7 -5.796 9.041 -6.328 67 HH22 ARG 7 2HH2 ARG 7 -5.964 8.974 -4.606 68 2HA UVR 8 2HA UVR 8 -4.337 0.675 -5.552 69 1HA UVR 8 1HA UVR 8 -4.331 1.902 -4.282 70 1HB UVR 8 1HB UVR 8 -3.943 1.618 -8.048 71 2HB UVR 8 2HB UVR 8 -3.227 2.656 -7.287 72 1HG UVR 8 1HG UVR 8 -4.637 4.435 -8.807 73 2HG UVR 8 2HG UVR 8 -3.056 4.441 -7.988 74 1HD UVR 8 1HD UVR 8 -2.006 3.260 -9.699 75 2HD UVR 8 2HD UVR 8 -3.448 2.329 -10.166 76 1HE UVR 8 1HE UVR 8 -3.188 5.418 -10.809 77 2HE UVR 8 2HE UVR 8 -4.316 4.503 -10.569 78 2HZ UVR 8 2HZ UVR 8 -4.857 4.673 -12.368 79 1HZ UVR 8 1HZ UVR 8 -3.528 4.022 -13.065 80 H ILE 9 H ILE 9 -2.438 3.465 -6.158 81 HA ILE 9 HA ILE 9 0.037 2.068 -6.507 82 HB ILE 9 HB ILE 9 -0.837 4.316 -7.434 83 HG12 ILE 9 2HG1 ILE 9 1.512 5.225 -7.558 84 HG13 ILE 9 1HG1 ILE 9 1.991 3.983 -6.399 85 HG21 ILE 9 1HG2 ILE 9 -1.280 5.276 -5.154 86 HG22 ILE 9 2HG2 ILE 9 -0.266 6.303 -6.167 87 HG23 ILE 9 3HG2 ILE 9 0.463 5.329 -4.891 88 HD11 ILE 9 3HD1 ILE 9 0.470 2.696 -8.428 89 HD12 ILE 9 1HD1 ILE 9 2.189 2.508 -8.084 90 HD13 ILE 9 2HD1 ILE 9 1.648 3.730 -9.236 91 H VAL 10 H VAL 10 -1.250 3.960 -3.781 92 HA VAL 10 HA VAL 10 1.025 4.162 -2.147 93 HB VAL 10 HB VAL 10 -1.794 3.468 -1.270 94 HG11 VAL 10 1HG1 VAL 10 0.647 4.464 0.039 95 HG12 VAL 10 2HG1 VAL 10 -0.779 3.704 0.748 96 HG13 VAL 10 3HG1 VAL 10 -0.789 5.429 0.382 97 HG21 VAL 10 3HG2 VAL 10 -1.616 6.204 -1.229 98 HG22 VAL 10 1HG2 VAL 10 -2.361 5.279 -2.532 99 HG23 VAL 10 2HG2 VAL 10 -0.687 5.817 -2.678 100 H HIS 11 H HIS 11 -0.742 1.319 -3.074 101 HA HIS 11 HA HIS 11 0.191 -0.339 -0.839 102 HB2 HIS 11 2HB HIS 11 -1.774 -0.395 -2.878 103 HB3 HIS 11 1HB HIS 11 -0.723 -1.781 -3.171 104 HD1 HIS 11 1HD HIS 11 -1.447 -0.383 0.265 105 HD2 HIS 11 2HD HIS 11 -2.416 -3.725 -2.032 106 HE1 HIS 11 1HE HIS 11 -2.620 -2.005 1.817 107 H VAL 12 H VAL 12 0.693 -0.623 -4.383 108 HA VAL 12 HA VAL 12 3.066 -2.259 -4.051 109 HB VAL 12 HB VAL 12 3.167 -1.927 -6.543 110 HG11 VAL 12 1HG1 VAL 12 1.208 -3.224 -4.987 111 HG12 VAL 12 2HG1 VAL 12 1.629 -3.569 -6.664 112 HG13 VAL 12 3HG1 VAL 12 0.326 -2.438 -6.297 113 HG21 VAL 12 3HG2 VAL 12 1.692 0.405 -5.858 114 HG22 VAL 12 1HG2 VAL 12 0.618 -0.617 -6.815 115 HG23 VAL 12 2HG2 VAL 12 2.181 -0.124 -7.467 116 H GLY 13 H GLY 13 2.554 1.039 -3.689 117 HA2 GLY 13 2HA GLY 13 5.267 1.780 -4.652 118 HA3 GLY 13 1HA GLY 13 4.005 2.918 -4.177 119 H LYS 14 H LYS 14 3.358 2.714 -1.770 120 HA LYS 14 HA LYS 14 5.388 3.446 -0.057 121 HB2 LYS 14 2HB LYS 14 3.024 3.570 0.495 122 HB3 LYS 14 1HB LYS 14 2.893 1.811 0.484 123 HG2 LYS 14 2HG LYS 14 3.084 2.801 2.791 124 HG3 LYS 14 1HG LYS 14 4.342 1.623 2.411 125 HD2 LYS 14 2HD LYS 14 5.280 3.650 3.491 126 HD3 LYS 14 1HD LYS 14 5.900 3.435 1.854 127 HE2 LYS 14 2HE LYS 14 4.432 5.130 0.979 128 HE3 LYS 14 1HE LYS 14 3.519 5.205 2.500 129 HZ1 LYS 14 3HZ LYS 14 6.432 5.740 2.296 130 HZ2 LYS 14 1HZ LYS 14 5.440 5.978 3.650 131 HZ3 LYS 14 2HZ LYS 14 5.252 6.961 2.278 132 H THR 15 H THR 15 4.659 0.192 -1.151 133 HA THR 15 HA THR 15 6.016 -1.266 0.887 134 HB THR 15 HB THR 15 5.566 -1.875 -2.052 135 HG1 THR 15 1HG THR 15 3.576 -1.886 -1.422 136 HG21 THR 15 3HG2 THR 15 6.176 -3.640 0.331 137 HG22 THR 15 1HG2 THR 15 7.160 -3.428 -1.116 138 HG23 THR 15 2HG2 THR 15 5.604 -4.252 -1.221 139 H ILE 16 H ILE 16 7.107 -0.234 -2.366 140 HA ILE 16 HA ILE 16 9.755 -1.149 -2.186 141 HB ILE 16 HB ILE 16 8.126 0.398 -3.894 142 HG12 ILE 16 2HG1 ILE 16 9.859 -0.101 -5.545 143 HG13 ILE 16 1HG1 ILE 16 11.016 -0.445 -4.258 144 HG21 ILE 16 1HG2 ILE 16 10.782 1.803 -3.619 145 HG22 ILE 16 2HG2 ILE 16 9.366 2.365 -2.734 146 HG23 ILE 16 3HG2 ILE 16 9.346 2.327 -4.497 147 HD11 ILE 16 3HD1 ILE 16 10.309 -2.582 -4.294 148 HD12 ILE 16 1HD1 ILE 16 9.000 -2.181 -5.405 149 HD13 ILE 16 2HD1 ILE 16 8.761 -2.018 -3.666 150 H HIS 17 H HIS 17 8.246 1.750 -0.982 151 HA HIS 17 HA HIS 17 10.533 3.186 -0.155 152 HB2 HIS 17 2HB HIS 17 7.670 3.257 0.090 153 HB3 HIS 17 1HB HIS 17 8.385 3.602 1.666 154 HD1 HIS 17 1HD HIS 17 7.099 5.546 -0.793 155 HD2 HIS 17 2HD HIS 17 10.970 5.388 0.748 156 HE1 HIS 17 1HE HIS 17 8.178 7.772 -1.338 157 H ARG 18 H ARG 18 8.355 1.124 1.807 158 HA ARG 18 HA ARG 18 9.807 1.108 4.183 159 HB2 ARG 18 2HB ARG 18 8.192 -1.054 2.825 160 HB3 ARG 18 1HB ARG 18 8.678 -1.109 4.521 161 HG2 ARG 18 2HG ARG 18 7.538 1.143 4.806 162 HG3 ARG 18 1HG ARG 18 6.865 0.916 3.191 163 HD2 ARG 18 2HD ARG 18 5.263 -0.463 4.004 164 HD3 ARG 18 1HD ARG 18 6.483 -1.476 4.800 165 HE ARG 18 HE ARG 18 6.108 1.056 6.176 166 HH11 ARG 18 1HH1 ARG 18 3.342 -0.156 5.929 167 HH12 ARG 18 2HH1 ARG 18 3.251 -1.105 7.374 168 HH21 ARG 18 1HH2 ARG 18 6.668 -1.021 7.960 169 HH22 ARG 18 2HH2 ARG 18 5.134 -1.595 8.524 170 H LEU 19 H LEU 19 10.387 -0.637 1.226 171 HA LEU 19 HA LEU 19 12.193 -2.609 2.070 172 HB2 LEU 19 2HB LEU 19 11.179 -1.631 -0.296 173 HB3 LEU 19 1HB LEU 19 12.887 -1.207 -0.422 174 HG LEU 19 HG LEU 19 12.066 -3.968 0.448 175 HD11 LEU 19 1HD1 LEU 19 11.272 -2.887 -1.983 176 HD12 LEU 19 2HD1 LEU 19 11.462 -4.606 -1.638 177 HD13 LEU 19 3HD1 LEU 19 12.784 -3.704 -2.378 178 HD21 LEU 19 3HD2 LEU 19 14.499 -2.609 0.126 179 HD22 LEU 19 1HD2 LEU 19 14.381 -3.659 -1.286 180 HD23 LEU 19 2HD2 LEU 19 14.290 -4.348 0.334 181 H VAL 20 H VAL 20 12.675 0.790 1.430 182 HA VAL 20 HA VAL 20 15.535 0.729 1.880 183 HB VAL 20 HB VAL 20 15.425 2.933 1.158 184 HG11 VAL 20 1HG1 VAL 20 14.097 1.307 -0.370 185 HG12 VAL 20 2HG1 VAL 20 13.969 3.041 -0.666 186 HG13 VAL 20 3HG1 VAL 20 12.687 2.197 0.204 187 HG21 VAL 20 3HG2 VAL 20 13.022 4.122 1.468 188 HG22 VAL 20 1HG2 VAL 20 14.287 4.199 2.695 189 HG23 VAL 20 2HG2 VAL 20 12.984 3.019 2.843 190 H THR 21 H THR 21 12.800 0.706 3.811 191 HA THR 21 HA THR 21 12.999 2.376 5.904 192 HB THR 21 HB THR 21 12.645 -0.618 5.872 193 HG1 THR 21 1HG THR 21 10.971 1.652 5.909 194 HG21 THR 21 3HG2 THR 21 13.402 0.147 8.129 195 HG22 THR 21 1HG2 THR 21 11.754 -0.480 8.129 196 HG23 THR 21 2HG2 THR 21 12.034 1.260 8.169 197 H GLY 22 H GLY 22 15.319 -0.114 5.167 198 HA2 GLY 22 1HA GLY 22 16.765 -0.474 7.476 199 HA3 GLY 22 2HA GLY 22 17.552 -0.323 5.906 Start of MODEL 5 1 H1 PHE 1 1HT PHE 1 1.270 12.825 -27.984 2 H2 PHE 1 2HT PHE 1 2.926 13.191 -28.089 3 H3 PHE 1 3HT PHE 1 1.766 14.388 -28.420 4 HA PHE 1 HA PHE 1 2.846 14.581 -26.176 5 HB2 PHE 1 2HB PHE 1 0.700 15.212 -25.223 6 HB3 PHE 1 1HB PHE 1 0.642 15.532 -26.956 7 HD1 PHE 1 1HD PHE 1 -0.618 14.056 -28.475 8 HD2 PHE 1 2HD PHE 1 -0.607 13.425 -24.227 9 HE1 PHE 1 1HE PHE 1 -2.570 12.542 -28.694 10 HE2 PHE 1 2HE PHE 1 -2.558 11.910 -24.447 11 HZ PHE 1 HZ PHE 1 -3.540 11.469 -26.681 12 H PHE 2 H PHE 2 2.579 13.760 -23.917 13 HA PHE 2 HA PHE 2 1.381 11.223 -23.312 14 HB2 PHE 2 2HB PHE 2 2.998 10.306 -24.829 15 HB3 PHE 2 1HB PHE 2 4.291 11.294 -24.147 16 HD1 PHE 2 1HD PHE 2 1.787 8.687 -23.151 17 HD2 PHE 2 2HD PHE 2 5.671 10.397 -22.485 18 HE1 PHE 2 1HE PHE 2 2.294 6.898 -21.511 19 HE2 PHE 2 2HE PHE 2 6.178 8.608 -20.844 20 HZ PHE 2 HZ PHE 2 4.488 6.858 -20.356 21 H HIS 3 H HIS 3 0.892 12.016 -21.259 22 HA HIS 3 HA HIS 3 3.204 12.485 -19.431 23 HB2 HIS 3 2HB HIS 3 1.200 14.397 -20.411 24 HB3 HIS 3 1HB HIS 3 1.312 14.356 -18.652 25 HD1 HIS 3 1HD HIS 3 4.076 14.218 -17.892 26 HD2 HIS 3 2HD HIS 3 3.031 16.192 -21.412 27 HE1 HIS 3 1HE HIS 3 6.006 15.762 -18.449 28 H HIS 4 H HIS 4 0.750 10.544 -20.000 29 HA HIS 4 HA HIS 4 -1.148 10.484 -18.015 30 HB2 HIS 4 2HB HIS 4 0.580 8.367 -19.281 31 HB3 HIS 4 1HB HIS 4 -0.645 7.917 -18.096 32 HD1 HIS 4 1HD HIS 4 -3.157 8.769 -18.675 33 HD2 HIS 4 2HD HIS 4 -0.432 8.832 -21.829 34 HE1 HIS 4 1HE HIS 4 -4.524 8.954 -20.799 35 H ILE 5 H ILE 5 -0.963 10.777 -15.827 36 HA ILE 5 HA ILE 5 1.558 10.514 -14.418 37 HB ILE 5 HB ILE 5 -1.329 11.064 -13.746 38 HG12 ILE 5 2HG1 ILE 5 0.122 12.826 -14.759 39 HG13 ILE 5 1HG1 ILE 5 -0.423 13.253 -13.137 40 HG21 ILE 5 1HG2 ILE 5 0.909 10.358 -11.889 41 HG22 ILE 5 2HG2 ILE 5 -0.815 10.015 -11.747 42 HG23 ILE 5 3HG2 ILE 5 -0.207 11.635 -11.406 43 HD11 ILE 5 3HD1 ILE 5 1.912 13.754 -13.185 44 HD12 ILE 5 1HD1 ILE 5 2.295 12.221 -13.966 45 HD13 ILE 5 2HD1 ILE 5 1.765 12.245 -12.284 46 H PHE 6 H PHE 6 2.328 8.730 -13.328 47 HA PHE 6 HA PHE 6 1.128 6.137 -13.660 48 HB2 PHE 6 2HB PHE 6 3.580 7.035 -13.146 49 HB3 PHE 6 1HB PHE 6 3.081 6.770 -11.476 50 HD1 PHE 6 1HD PHE 6 2.500 4.953 -14.714 51 HD2 PHE 6 2HD PHE 6 3.867 4.743 -10.647 52 HE1 PHE 6 1HE PHE 6 2.911 2.521 -14.977 53 HE2 PHE 6 2HE PHE 6 4.278 2.311 -10.910 54 HZ PHE 6 HZ PHE 6 3.800 1.200 -13.075 55 H ARG 7 H ARG 7 -1.048 7.232 -12.713 56 HA ARG 7 HA ARG 7 -1.551 7.775 -10.049 57 HB2 ARG 7 2HB ARG 7 -2.989 7.171 -12.331 58 HB3 ARG 7 1HB ARG 7 -3.450 5.869 -11.236 59 HG2 ARG 7 2HG ARG 7 -3.483 8.163 -9.642 60 HG3 ARG 7 1HG ARG 7 -4.217 8.664 -11.167 61 HD2 ARG 7 2HD ARG 7 -5.936 7.067 -11.015 62 HD3 ARG 7 1HD ARG 7 -5.021 6.060 -9.875 63 HE ARG 7 HE ARG 7 -5.857 7.428 -8.140 64 HH11 ARG 7 1HH1 ARG 7 -8.004 8.395 -10.068 65 HH12 ARG 7 2HH1 ARG 7 -7.833 10.114 -9.930 66 HH21 ARG 7 1HH2 ARG 7 -4.713 9.949 -8.425 67 HH22 ARG 7 2HH2 ARG 7 -5.970 10.994 -9.000 68 2HA UVR 8 2HA UVR 8 0.113 2.971 -9.759 69 1HA UVR 8 1HA UVR 8 -1.306 2.230 -10.509 70 1HB UVR 8 1HB UVR 8 -2.477 5.116 -12.239 71 2HB UVR 8 2HB UVR 8 -2.610 3.812 -11.559 72 1HG UVR 8 1HG UVR 8 -0.770 2.581 -12.842 73 2HG UVR 8 2HG UVR 8 -2.534 2.400 -12.679 74 1HD UVR 8 1HD UVR 8 -2.066 2.596 -15.028 75 2HD UVR 8 2HD UVR 8 -2.781 4.166 -14.592 76 1HE UVR 8 1HE UVR 8 0.356 3.848 -14.637 77 2HE UVR 8 2HE UVR 8 -0.626 4.768 -14.042 78 2HZ UVR 8 2HZ UVR 8 0.179 5.736 -16.128 79 1HZ UVR 8 1HZ UVR 8 -1.446 5.631 -16.277 80 H ILE 9 H ILE 9 -0.553 1.297 -8.220 81 HA ILE 9 HA ILE 9 -2.642 2.084 -6.247 82 HB ILE 9 HB ILE 9 -1.151 -0.396 -6.949 83 HG12 ILE 9 2HG1 ILE 9 -3.706 -1.132 -6.667 84 HG13 ILE 9 1HG1 ILE 9 -3.958 0.588 -6.967 85 HG21 ILE 9 1HG2 ILE 9 -2.047 -1.523 -4.985 86 HG22 ILE 9 2HG2 ILE 9 -2.843 -0.037 -4.466 87 HG23 ILE 9 3HG2 ILE 9 -1.082 -0.143 -4.462 88 HD11 ILE 9 3HD1 ILE 9 -2.910 -1.517 -8.787 89 HD12 ILE 9 1HD1 ILE 9 -2.154 0.072 -8.904 90 HD13 ILE 9 2HD1 ILE 9 -3.891 -0.098 -9.154 91 H VAL 10 H VAL 10 -2.019 2.962 -4.294 92 HA VAL 10 HA VAL 10 0.682 3.718 -3.751 93 HB VAL 10 HB VAL 10 -1.560 3.327 -1.751 94 HG11 VAL 10 1HG1 VAL 10 1.035 4.683 -1.802 95 HG12 VAL 10 2HG1 VAL 10 0.012 4.272 -0.425 96 HG13 VAL 10 3HG1 VAL 10 -0.283 5.756 -1.331 97 HG21 VAL 10 3HG2 VAL 10 -1.260 5.244 -4.029 98 HG22 VAL 10 1HG2 VAL 10 -1.928 5.855 -2.515 99 HG23 VAL 10 2HG2 VAL 10 -2.723 4.525 -3.357 100 H HIS 11 H HIS 11 -1.265 0.953 -2.626 101 HA HIS 11 HA HIS 11 0.351 -0.124 -0.627 102 HB2 HIS 11 2HB HIS 11 -1.873 -0.876 -1.863 103 HB3 HIS 11 1HB HIS 11 -0.760 -1.895 -2.779 104 HD1 HIS 11 1HD HIS 11 -2.861 -2.230 -0.023 105 HD2 HIS 11 2HD HIS 11 1.171 -3.133 -0.583 106 HE1 HIS 11 1HE HIS 11 -2.253 -3.925 1.759 107 H VAL 12 H VAL 12 0.669 -0.761 -4.144 108 HA VAL 12 HA VAL 12 3.109 -2.282 -3.866 109 HB VAL 12 HB VAL 12 2.104 -0.817 -6.311 110 HG11 VAL 12 1HG1 VAL 12 3.779 -2.014 -7.218 111 HG12 VAL 12 2HG1 VAL 12 2.827 -3.458 -6.877 112 HG13 VAL 12 3HG1 VAL 12 4.032 -2.902 -5.717 113 HG21 VAL 12 3HG2 VAL 12 0.833 -3.133 -6.571 114 HG22 VAL 12 1HG2 VAL 12 0.097 -1.804 -5.674 115 HG23 VAL 12 2HG2 VAL 12 0.899 -3.115 -4.808 116 H GLY 13 H GLY 13 2.525 0.982 -3.467 117 HA2 GLY 13 2HA GLY 13 5.184 1.783 -4.549 118 HA3 GLY 13 1HA GLY 13 3.883 2.902 -4.137 119 H LYS 14 H LYS 14 3.237 2.787 -1.712 120 HA LYS 14 HA LYS 14 5.218 3.709 -0.042 121 HB2 LYS 14 2HB LYS 14 2.733 3.522 0.363 122 HB3 LYS 14 1HB LYS 14 2.992 1.830 0.792 123 HG2 LYS 14 2HG LYS 14 4.873 3.530 2.194 124 HG3 LYS 14 1HG LYS 14 3.216 4.052 2.502 125 HD2 LYS 14 2HD LYS 14 3.635 1.125 2.573 126 HD3 LYS 14 1HD LYS 14 4.439 2.028 3.858 127 HE2 LYS 14 2HE LYS 14 2.098 3.245 4.064 128 HE3 LYS 14 1HE LYS 14 1.502 1.761 3.293 129 HZ1 LYS 14 3HZ LYS 14 3.336 1.792 5.630 130 HZ2 LYS 14 1HZ LYS 14 2.567 0.441 4.949 131 HZ3 LYS 14 2HZ LYS 14 1.650 1.620 5.759 132 H THR 15 H THR 15 4.518 0.316 -0.783 133 HA THR 15 HA THR 15 6.100 -0.927 1.201 134 HB THR 15 HB THR 15 5.370 -1.646 -1.650 135 HG1 THR 15 1HG THR 15 3.807 -1.425 0.178 136 HG21 THR 15 3HG2 THR 15 7.323 -2.946 -1.137 137 HG22 THR 15 1HG2 THR 15 5.930 -4.003 -0.910 138 HG23 THR 15 2HG2 THR 15 6.735 -3.293 0.489 139 H ILE 16 H ILE 16 6.971 0.338 -2.016 140 HA ILE 16 HA ILE 16 9.624 -0.569 -2.147 141 HB ILE 16 HB ILE 16 7.877 1.186 -3.511 142 HG12 ILE 16 2HG1 ILE 16 9.799 1.078 -5.236 143 HG13 ILE 16 1HG1 ILE 16 10.626 0.071 -4.047 144 HG21 ILE 16 1HG2 ILE 16 9.213 2.984 -2.201 145 HG22 ILE 16 2HG2 ILE 16 9.074 3.176 -3.949 146 HG23 ILE 16 3HG2 ILE 16 10.562 2.540 -3.248 147 HD11 ILE 16 3HD1 ILE 16 9.316 -1.710 -4.507 148 HD12 ILE 16 1HD1 ILE 16 8.769 -0.815 -5.924 149 HD13 ILE 16 2HD1 ILE 16 7.846 -0.739 -4.423 150 H HIS 17 H HIS 17 8.207 2.131 -0.466 151 HA HIS 17 HA HIS 17 10.557 3.455 0.378 152 HB2 HIS 17 2HB HIS 17 7.717 3.503 0.812 153 HB3 HIS 17 1HB HIS 17 8.531 3.639 2.371 154 HD1 HIS 17 1HD HIS 17 11.073 5.166 1.373 155 HD2 HIS 17 2HD HIS 17 7.154 6.232 0.427 156 HE1 HIS 17 1HE HIS 17 11.126 7.624 0.761 157 H ARG 18 H ARG 18 8.473 1.233 2.265 158 HA ARG 18 HA ARG 18 10.233 0.892 4.429 159 HB2 ARG 18 2HB ARG 18 8.240 -1.029 3.218 160 HB3 ARG 18 1HB ARG 18 8.857 -1.100 4.870 161 HG2 ARG 18 2HG ARG 18 7.938 1.546 4.485 162 HG3 ARG 18 1HG ARG 18 6.691 0.491 3.819 163 HD2 ARG 18 2HD ARG 18 7.915 0.153 6.582 164 HD3 ARG 18 1HD ARG 18 6.344 0.913 6.258 165 HE ARG 18 HE ARG 18 6.888 -1.859 5.285 166 HH11 ARG 18 1HH2 ARG 18 6.002 -1.375 8.208 167 HH12 ARG 18 2HH2 ARG 18 4.298 -1.649 8.066 168 HH21 ARG 18 1HH1 ARG 18 4.282 -1.430 4.605 169 HH22 ARG 18 2HH1 ARG 18 3.324 -1.681 6.026 170 H LEU 19 H LEU 19 10.422 -0.269 1.220 171 HA LEU 19 HA LEU 19 11.859 -2.677 1.526 172 HB2 LEU 19 2HB LEU 19 10.927 -1.095 -0.516 173 HB3 LEU 19 1HB LEU 19 12.674 -0.914 -0.681 174 HG LEU 19 HG LEU 19 11.354 -3.614 -0.377 175 HD11 LEU 19 1HD1 LEU 19 10.932 -3.752 -2.622 176 HD12 LEU 19 2HD1 LEU 19 12.312 -2.738 -3.046 177 HD13 LEU 19 3HD1 LEU 19 10.812 -1.998 -2.488 178 HD21 LEU 19 3HD2 LEU 19 13.985 -2.827 -0.202 179 HD22 LEU 19 1HD2 LEU 19 13.854 -3.270 -1.904 180 HD23 LEU 19 2HD2 LEU 19 13.455 -4.448 -0.652 181 H VAL 20 H VAL 20 13.095 0.575 0.960 182 HA VAL 20 HA VAL 20 15.837 -0.050 1.403 183 HB VAL 20 HB VAL 20 15.263 1.905 0.161 184 HG11 VAL 20 1HG1 VAL 20 13.976 3.769 1.458 185 HG12 VAL 20 2HG1 VAL 20 13.466 2.454 2.516 186 HG13 VAL 20 3HG1 VAL 20 13.055 2.417 0.800 187 HG21 VAL 20 3HG2 VAL 20 16.113 2.744 2.942 188 HG22 VAL 20 1HG2 VAL 20 16.295 3.725 1.488 189 HG23 VAL 20 2HG2 VAL 20 17.192 2.215 1.652 190 H THR 21 H THR 21 13.250 0.164 3.549 191 HA THR 21 HA THR 21 13.911 1.398 5.864 192 HB THR 21 HB THR 21 12.990 -1.438 5.418 193 HG1 THR 21 1HG THR 21 11.618 0.870 6.317 194 HG21 THR 21 3HG2 THR 21 13.432 -1.801 7.604 195 HG22 THR 21 1HG2 THR 21 12.095 -0.697 7.925 196 HG23 THR 21 2HG2 THR 21 13.753 -0.093 7.906 197 H GLY 22 H GLY 22 15.621 -1.341 4.545 198 HA2 GLY 22 1HA GLY 22 17.511 -2.525 5.323 199 HA3 GLY 22 2HA GLY 22 18.110 -0.895 5.626 Start of MODEL 6 1 H1 PHE 1 1HT PHE 1 -1.805 20.967 -4.950 2 H2 PHE 1 2HT PHE 1 -1.332 19.442 -5.529 3 H3 PHE 1 3HT PHE 1 -0.212 20.431 -4.721 4 HA PHE 1 HA PHE 1 -1.452 18.452 -3.494 5 HB2 PHE 1 2HB PHE 1 0.279 20.374 -2.888 6 HB3 PHE 1 1HB PHE 1 -1.116 21.064 -2.058 7 HD1 PHE 1 1HD PHE 1 -2.392 18.250 -1.517 8 HD2 PHE 1 2HD PHE 1 1.498 19.928 -0.806 9 HE1 PHE 1 1HE PHE 1 -2.055 16.672 0.366 10 HE2 PHE 1 2HE PHE 1 1.835 18.349 1.077 11 HZ PHE 1 HZ PHE 1 0.058 16.721 1.663 12 H PHE 2 H PHE 2 -3.719 18.268 -4.158 13 HA PHE 2 HA PHE 2 -5.539 20.254 -2.833 14 HB2 PHE 2 2HB PHE 2 -5.697 18.579 -5.340 15 HB3 PHE 2 1HB PHE 2 -7.152 19.256 -4.608 16 HD1 PHE 2 1HD PHE 2 -3.686 20.303 -5.605 17 HD2 PHE 2 2HD PHE 2 -7.825 21.394 -5.252 18 HE1 PHE 2 1HE PHE 2 -3.198 22.493 -6.658 19 HE2 PHE 2 2HE PHE 2 -7.337 23.585 -6.306 20 HZ PHE 2 HZ PHE 2 -5.023 24.135 -7.009 21 H HIS 3 H HIS 3 -7.647 19.229 -2.093 22 HA HIS 3 HA HIS 3 -7.113 16.918 -0.417 23 HB2 HIS 3 2HB HIS 3 -9.350 18.803 -1.023 24 HB3 HIS 3 1HB HIS 3 -9.763 17.283 -0.229 25 HD1 HIS 3 1HD HIS 3 -7.260 16.945 1.550 26 HD2 HIS 3 2HD HIS 3 -9.358 20.527 1.171 27 HE1 HIS 3 1HE HIS 3 -6.740 18.303 3.625 28 H HIS 4 H HIS 4 -7.912 17.191 -3.685 29 HA HIS 4 HA HIS 4 -9.840 15.208 -4.162 30 HB2 HIS 4 2HB HIS 4 -7.614 16.530 -5.577 31 HB3 HIS 4 1HB HIS 4 -8.086 14.974 -6.255 32 HD1 HIS 4 1HD HIS 4 -11.125 15.084 -5.687 33 HD2 HIS 4 2HD HIS 4 -8.958 18.248 -7.321 34 HE1 HIS 4 1HE HIS 4 -12.793 16.528 -6.932 35 H ILE 5 H ILE 5 -8.581 13.246 -5.740 36 HA ILE 5 HA ILE 5 -7.780 11.318 -3.742 37 HB ILE 5 HB ILE 5 -8.001 11.478 -6.739 38 HG12 ILE 5 2HG1 ILE 5 -9.974 11.105 -5.203 39 HG13 ILE 5 1HG1 ILE 5 -9.727 9.821 -6.388 40 HG21 ILE 5 1HG2 ILE 5 -6.530 9.422 -5.128 41 HG22 ILE 5 2HG2 ILE 5 -6.168 10.052 -6.734 42 HG23 ILE 5 3HG2 ILE 5 -7.477 8.890 -6.517 43 HD11 ILE 5 3HD1 ILE 5 -9.509 8.313 -4.734 44 HD12 ILE 5 1HD1 ILE 5 -9.806 9.585 -3.549 45 HD13 ILE 5 2HD1 ILE 5 -8.158 9.226 -4.064 46 H PHE 6 H PHE 6 -5.686 10.422 -3.411 47 HA PHE 6 HA PHE 6 -3.446 12.243 -3.893 48 HB2 PHE 6 2HB PHE 6 -4.170 9.964 -2.233 49 HB3 PHE 6 1HB PHE 6 -2.535 9.792 -2.871 50 HD1 PHE 6 1HD PHE 6 -1.716 12.640 -3.102 51 HD2 PHE 6 2HD PHE 6 -3.829 10.589 0.024 52 HE1 PHE 6 1HE PHE 6 -0.895 14.303 -1.457 53 HE2 PHE 6 2HE PHE 6 -3.010 12.252 1.671 54 HZ PHE 6 HZ PHE 6 -1.542 14.111 0.930 55 H ARG 7 H ARG 7 -3.083 12.214 -6.182 56 HA ARG 7 HA ARG 7 -3.068 10.143 -8.004 57 HB2 ARG 7 2HB ARG 7 -1.935 12.730 -7.704 58 HB3 ARG 7 1HB ARG 7 -0.647 11.683 -8.299 59 HG2 ARG 7 2HG ARG 7 -2.596 10.833 -9.917 60 HG3 ARG 7 1HG ARG 7 -3.218 12.454 -9.606 61 HD2 ARG 7 2HD ARG 7 -0.647 13.094 -10.099 62 HD3 ARG 7 1HD ARG 7 -0.770 11.627 -11.090 63 HE ARG 7 HE ARG 7 -2.991 12.775 -11.919 64 HH11 ARG 7 1HH1 ARG 7 -1.897 15.241 -10.306 65 HH12 ARG 7 2HH1 ARG 7 -1.335 16.216 -11.623 66 HH21 ARG 7 1HH2 ARG 7 -1.475 13.639 -13.937 67 HH22 ARG 7 2HH2 ARG 7 -1.097 15.309 -13.679 68 2HA UVR 8 2HA UVR 8 0.985 8.038 -7.218 69 1HA UVR 8 1HA UVR 8 0.467 7.057 -8.596 70 1HB UVR 8 1HB UVR 8 -1.958 9.405 -9.685 71 2HB UVR 8 2HB UVR 8 -2.585 8.661 -8.578 72 1HG UVR 8 1HG UVR 8 -3.224 7.641 -10.547 73 2HG UVR 8 2HG UVR 8 -2.009 6.423 -10.092 74 1HD UVR 8 1HD UVR 8 -3.298 5.689 -8.378 75 2HD UVR 8 2HD UVR 8 -3.469 7.309 -7.664 76 1HE UVR 8 1HE UVR 8 -5.558 7.753 -9.122 77 2HE UVR 8 2HE UVR 8 -5.278 6.875 -7.974 78 2HZ UVR 8 2HZ UVR 8 -5.364 4.714 -8.898 79 1HZ UVR 8 1HZ UVR 8 -6.461 5.604 -8.072 80 H ILE 9 H ILE 9 0.052 5.069 -8.096 81 HA ILE 9 HA ILE 9 -1.658 3.943 -6.171 82 HB ILE 9 HB ILE 9 -0.443 2.976 -8.250 83 HG12 ILE 9 2HG1 ILE 9 -0.506 0.650 -7.209 84 HG13 ILE 9 1HG1 ILE 9 -0.861 1.444 -5.674 85 HG21 ILE 9 1HG2 ILE 9 1.655 1.944 -7.951 86 HG22 ILE 9 2HG2 ILE 9 1.535 2.009 -6.192 87 HG23 ILE 9 3HG2 ILE 9 1.836 3.484 -7.110 88 HD11 ILE 9 3HD1 ILE 9 -2.998 0.958 -6.547 89 HD12 ILE 9 1HD1 ILE 9 -2.522 1.394 -8.188 90 HD13 ILE 9 2HD1 ILE 9 -2.751 2.651 -6.973 91 H VAL 10 H VAL 10 -1.508 3.888 -3.968 92 HA VAL 10 HA VAL 10 1.142 4.354 -2.686 93 HB VAL 10 HB VAL 10 -1.039 5.669 -2.255 94 HG11 VAL 10 1HG1 VAL 10 -2.615 4.676 -0.710 95 HG12 VAL 10 2HG1 VAL 10 -1.623 3.227 -0.556 96 HG13 VAL 10 3HG1 VAL 10 -2.440 3.578 -2.078 97 HG21 VAL 10 3HG2 VAL 10 -0.139 6.263 -0.241 98 HG22 VAL 10 1HG2 VAL 10 1.161 5.179 -0.740 99 HG23 VAL 10 2HG2 VAL 10 -0.103 4.599 0.345 100 H HIS 11 H HIS 11 -0.402 1.711 -3.754 101 HA HIS 11 HA HIS 11 -0.222 0.060 -1.302 102 HB2 HIS 11 2HB HIS 11 -1.664 0.076 -3.752 103 HB3 HIS 11 1HB HIS 11 -0.694 -1.397 -3.740 104 HD1 HIS 11 1HD HIS 11 -0.729 -2.277 -0.890 105 HD2 HIS 11 2HD HIS 11 -4.113 -0.662 -2.713 106 HE1 HIS 11 1HE HIS 11 -2.718 -3.074 0.459 107 H VAL 12 H VAL 12 0.901 -0.654 -4.618 108 HA VAL 12 HA VAL 12 3.105 -2.267 -3.708 109 HB VAL 12 HB VAL 12 3.718 -2.110 -6.157 110 HG11 VAL 12 1HG1 VAL 12 0.754 -2.558 -5.749 111 HG12 VAL 12 2HG1 VAL 12 1.971 -3.691 -5.162 112 HG13 VAL 12 3HG1 VAL 12 1.825 -3.371 -6.890 113 HG21 VAL 12 3HG2 VAL 12 3.001 -0.317 -7.318 114 HG22 VAL 12 1HG2 VAL 12 2.096 0.246 -5.912 115 HG23 VAL 12 2HG2 VAL 12 1.335 -0.842 -7.072 116 H GLY 13 H GLY 13 2.702 1.073 -3.737 117 HA2 GLY 13 2HA GLY 13 5.525 1.719 -4.293 118 HA3 GLY 13 1HA GLY 13 4.258 2.879 -3.886 119 H LYS 14 H LYS 14 3.332 2.411 -1.538 120 HA LYS 14 HA LYS 14 5.164 3.122 0.397 121 HB2 LYS 14 2HB LYS 14 2.493 2.171 0.222 122 HB3 LYS 14 1HB LYS 14 3.274 1.265 1.520 123 HG2 LYS 14 2HG LYS 14 3.229 4.287 1.247 124 HG3 LYS 14 1HG LYS 14 2.281 3.341 2.397 125 HD2 LYS 14 2HD LYS 14 4.032 3.675 3.804 126 HD3 LYS 14 1HD LYS 14 4.820 2.404 2.866 127 HE2 LYS 14 2HE LYS 14 6.293 3.870 1.939 128 HE3 LYS 14 1HE LYS 14 5.019 5.062 1.614 129 HZ1 LYS 14 3HZ LYS 14 4.983 5.601 3.980 130 HZ2 LYS 14 1HZ LYS 14 6.520 5.882 3.319 131 HZ3 LYS 14 2HZ LYS 14 6.243 4.498 4.265 132 H THR 15 H THR 15 4.399 -0.193 -0.671 133 HA THR 15 HA THR 15 5.933 -1.601 1.249 134 HB THR 15 HB THR 15 5.457 -2.282 -1.670 135 HG1 THR 15 1HG THR 15 3.789 -2.291 0.590 136 HG21 THR 15 3HG2 THR 15 6.065 -3.873 0.818 137 HG22 THR 15 1HG2 THR 15 6.878 -3.923 -0.747 138 HG23 THR 15 2HG2 THR 15 5.266 -4.616 -0.568 139 H ILE 16 H ILE 16 6.791 -0.506 -2.040 140 HA ILE 16 HA ILE 16 9.473 -1.327 -2.070 141 HB ILE 16 HB ILE 16 7.686 0.121 -3.646 142 HG12 ILE 16 2HG1 ILE 16 9.543 0.014 -5.337 143 HG13 ILE 16 1HG1 ILE 16 10.619 -0.516 -4.042 144 HG21 ILE 16 1HG2 ILE 16 10.055 1.852 -2.889 145 HG22 ILE 16 2HG2 ILE 16 8.345 2.268 -2.794 146 HG23 ILE 16 3HG2 ILE 16 9.122 2.090 -4.367 147 HD11 ILE 16 3HD1 ILE 16 8.264 -2.102 -3.875 148 HD12 ILE 16 1HD1 ILE 16 9.889 -2.625 -4.321 149 HD13 ILE 16 2HD1 ILE 16 8.763 -2.087 -5.567 150 H HIS 17 H HIS 17 8.058 1.686 -0.956 151 HA HIS 17 HA HIS 17 10.307 3.119 -0.166 152 HB2 HIS 17 2HB HIS 17 7.454 2.992 0.392 153 HB3 HIS 17 1HB HIS 17 8.356 3.498 1.821 154 HD1 HIS 17 1HD HIS 17 10.666 4.968 0.226 155 HD2 HIS 17 2HD HIS 17 6.581 5.576 -0.342 156 HE1 HIS 17 1HE HIS 17 10.421 7.265 -0.812 157 H ARG 18 H ARG 18 8.409 0.843 1.855 158 HA ARG 18 HA ARG 18 9.943 0.866 4.167 159 HB2 ARG 18 2HB ARG 18 8.585 -1.433 2.749 160 HB3 ARG 18 1HB ARG 18 9.081 -1.462 4.441 161 HG2 ARG 18 2HG ARG 18 7.470 0.888 3.661 162 HG3 ARG 18 1HG ARG 18 6.614 -0.653 3.596 163 HD2 ARG 18 2HD ARG 18 8.226 0.262 6.003 164 HD3 ARG 18 1HD ARG 18 6.469 0.465 5.853 165 HE ARG 18 HE ARG 18 7.882 -2.161 5.958 166 HH11 ARG 18 1HH2 ARG 18 4.989 -0.535 5.183 167 HH12 ARG 18 2HH2 ARG 18 3.954 -1.687 5.960 168 HH21 ARG 18 1HH1 ARG 18 6.572 -3.534 7.290 169 HH22 ARG 18 2HH1 ARG 18 4.852 -3.385 7.154 170 H LEU 19 H LEU 19 10.595 -0.748 1.135 171 HA LEU 19 HA LEU 19 12.680 -2.469 1.862 172 HB2 LEU 19 2HB LEU 19 11.431 -1.668 -0.433 173 HB3 LEU 19 1HB LEU 19 13.028 -0.947 -0.642 174 HG LEU 19 HG LEU 19 12.394 -3.863 -0.132 175 HD11 LEU 19 1HD1 LEU 19 12.623 -4.106 -2.362 176 HD12 LEU 19 2HD1 LEU 19 14.156 -3.235 -2.345 177 HD13 LEU 19 3HD1 LEU 19 12.640 -2.347 -2.494 178 HD21 LEU 19 3HD2 LEU 19 15.083 -3.735 -0.633 179 HD22 LEU 19 1HD2 LEU 19 14.384 -3.824 0.984 180 HD23 LEU 19 2HD2 LEU 19 14.842 -2.261 0.305 181 H VAL 20 H VAL 20 12.723 0.959 1.184 182 HA VAL 20 HA VAL 20 15.589 1.184 1.662 183 HB VAL 20 HB VAL 20 15.365 3.180 0.564 184 HG11 VAL 20 1HG1 VAL 20 12.619 2.233 -0.180 185 HG12 VAL 20 2HG1 VAL 20 14.063 1.370 -0.712 186 HG13 VAL 20 3HG1 VAL 20 13.810 3.047 -1.196 187 HG21 VAL 20 3HG2 VAL 20 13.390 4.692 0.779 188 HG22 VAL 20 1HG2 VAL 20 14.158 4.343 2.328 189 HG23 VAL 20 2HG2 VAL 20 12.664 3.521 1.879 190 H THR 21 H THR 21 12.849 1.072 3.517 191 HA THR 21 HA THR 21 12.621 2.962 5.380 192 HB THR 21 HB THR 21 11.561 0.711 5.387 193 HG1 THR 21 1HG THR 21 11.086 1.354 7.312 194 HG21 THR 21 3HG2 THR 21 12.732 -1.200 5.735 195 HG22 THR 21 1HG2 THR 21 13.687 -0.482 7.033 196 HG23 THR 21 2HG2 THR 21 14.148 -0.220 5.350 197 H GLY 22 H GLY 22 14.651 4.128 5.442 198 HA2 GLY 22 1HA GLY 22 16.817 4.627 6.249 199 HA3 GLY 22 2HA GLY 22 16.135 4.002 7.749 Start of MODEL 7 1 H1 PHE 1 1HT PHE 1 -5.826 15.554 -9.233 2 H2 PHE 1 2HT PHE 1 -4.381 14.979 -9.916 3 H3 PHE 1 3HT PHE 1 -5.792 15.072 -10.858 4 HA PHE 1 HA PHE 1 -4.202 16.897 -11.334 5 HB2 PHE 1 2HB PHE 1 -6.969 17.330 -10.189 6 HB3 PHE 1 1HB PHE 1 -6.078 18.632 -10.980 7 HD1 PHE 1 2HD PHE 1 -7.723 15.366 -11.450 8 HD2 PHE 1 1HD PHE 1 -5.612 18.576 -13.373 9 HE1 PHE 1 2HE PHE 1 -8.410 14.491 -13.667 10 HE2 PHE 1 1HE PHE 1 -6.300 17.701 -15.588 11 HZ PHE 1 HZ PHE 1 -7.698 15.659 -15.736 12 H PHE 2 H PHE 2 -3.660 19.152 -10.476 13 HA PHE 2 HA PHE 2 -2.649 20.507 -8.832 14 HB2 PHE 2 2HB PHE 2 -4.696 18.982 -7.186 15 HB3 PHE 2 1HB PHE 2 -3.826 20.403 -6.615 16 HD1 PHE 2 1HD PHE 2 -3.836 22.437 -8.380 17 HD2 PHE 2 2HD PHE 2 -6.804 19.344 -8.110 18 HE1 PHE 2 1HE PHE 2 -5.477 23.915 -9.504 19 HE2 PHE 2 2HE PHE 2 -8.447 20.824 -9.236 20 HZ PHE 2 HZ PHE 2 -7.783 23.109 -9.932 21 H HIS 3 H HIS 3 -2.323 19.601 -6.004 22 HA HIS 3 HA HIS 3 0.234 18.673 -5.867 23 HB2 HIS 3 2HB HIS 3 -2.157 17.848 -4.196 24 HB3 HIS 3 1HB HIS 3 -0.479 17.633 -3.696 25 HD1 HIS 3 1HD HIS 3 -2.420 19.527 -2.141 26 HD2 HIS 3 2HD HIS 3 0.212 20.785 -5.120 27 HE1 HIS 3 1HE HIS 3 -2.018 21.996 -1.746 28 H HIS 4 H HIS 4 -2.546 16.703 -6.794 29 HA HIS 4 HA HIS 4 -1.755 14.098 -6.392 30 HB2 HIS 4 2HB HIS 4 -3.102 15.571 -8.614 31 HB3 HIS 4 1HB HIS 4 -2.697 13.876 -8.881 32 HD1 HIS 4 1HD HIS 4 -3.855 12.106 -7.364 33 HD2 HIS 4 2HD HIS 4 -5.138 16.010 -6.671 34 HE1 HIS 4 1HE HIS 4 -5.941 11.931 -5.937 35 H ILE 5 H ILE 5 0.492 13.676 -6.446 36 HA ILE 5 HA ILE 5 2.331 14.576 -8.404 37 HB ILE 5 HB ILE 5 3.706 12.800 -7.425 38 HG12 ILE 5 2HG1 ILE 5 1.280 11.829 -5.933 39 HG13 ILE 5 1HG1 ILE 5 1.693 11.159 -7.510 40 HG21 ILE 5 1HG2 ILE 5 3.837 14.270 -5.722 41 HG22 ILE 5 2HG2 ILE 5 2.605 13.306 -4.909 42 HG23 ILE 5 3HG2 ILE 5 2.134 14.696 -5.888 43 HD11 ILE 5 3HD1 ILE 5 2.763 9.731 -5.937 44 HD12 ILE 5 1HD1 ILE 5 3.333 11.094 -4.972 45 HD13 ILE 5 2HD1 ILE 5 4.044 10.773 -6.554 46 H PHE 6 H PHE 6 3.584 12.570 -9.623 47 HA PHE 6 HA PHE 6 1.777 11.750 -11.753 48 HB2 PHE 6 2HB PHE 6 4.020 12.324 -12.315 49 HB3 PHE 6 1HB PHE 6 4.681 11.301 -11.038 50 HD1 PHE 6 1HD PHE 6 2.524 11.055 -14.101 51 HD2 PHE 6 2HD PHE 6 5.465 9.176 -11.596 52 HE1 PHE 6 1HE PHE 6 2.667 9.157 -15.692 53 HE2 PHE 6 2HE PHE 6 5.607 7.279 -13.187 54 HZ PHE 6 HZ PHE 6 4.209 7.269 -15.235 55 H ARG 7 H ARG 7 3.431 10.102 -9.060 56 HA ARG 7 HA ARG 7 2.598 7.440 -9.812 57 HB2 ARG 7 2HB ARG 7 4.045 8.837 -7.700 58 HB3 ARG 7 1HB ARG 7 3.069 7.516 -7.055 59 HG2 ARG 7 2HG ARG 7 5.341 6.752 -7.712 60 HG3 ARG 7 1HG ARG 7 4.078 5.955 -8.652 61 HD2 ARG 7 2HD ARG 7 4.692 6.999 -10.608 62 HD3 ARG 7 1HD ARG 7 5.161 8.496 -9.778 63 HE ARG 7 HE ARG 7 6.817 6.005 -9.601 64 HH11 ARG 7 1HH2 ARG 7 6.824 9.053 -8.405 65 HH12 ARG 7 2HH2 ARG 7 8.320 9.562 -9.115 66 HH21 ARG 7 1HH1 ARG 7 8.571 6.805 -11.203 67 HH22 ARG 7 2HH1 ARG 7 9.308 8.288 -10.700 68 2HA UVR 8 2HA UVR 8 -1.761 6.433 -8.846 69 1HA UVR 8 1HA UVR 8 -1.436 7.764 -7.727 70 1HB UVR 8 1HB UVR 8 1.919 5.575 -9.281 71 2HB UVR 8 2HB UVR 8 1.211 6.599 -10.072 72 1HG UVR 8 1HG UVR 8 0.223 6.112 -11.479 73 2HG UVR 8 2HG UVR 8 0.978 4.521 -11.225 74 1HD UVR 8 1HD UVR 8 -1.193 3.798 -11.401 75 2HD UVR 8 2HD UVR 8 -1.293 4.176 -9.665 76 1HE UVR 8 1HE UVR 8 -1.948 6.684 -11.217 77 2HE UVR 8 2HE UVR 8 -2.104 5.979 -9.935 78 2HZ UVR 8 2HZ UVR 8 -4.062 6.307 -10.256 79 1HZ UVR 8 1HZ UVR 8 -4.212 5.081 -11.328 80 H ILE 9 H ILE 9 -1.247 4.288 -8.137 81 HA ILE 9 HA ILE 9 -2.447 3.495 -5.710 82 HB ILE 9 HB ILE 9 -1.875 2.211 -7.879 83 HG12 ILE 9 2HG1 ILE 9 -1.475 0.047 -6.430 84 HG13 ILE 9 1HG1 ILE 9 -1.723 1.150 -5.074 85 HG21 ILE 9 1HG2 ILE 9 0.580 2.693 -7.735 86 HG22 ILE 9 2HG2 ILE 9 0.220 0.973 -7.873 87 HG23 ILE 9 3HG2 ILE 9 0.660 1.658 -6.309 88 HD11 ILE 9 3HD1 ILE 9 -3.713 1.617 -7.121 89 HD12 ILE 9 1HD1 ILE 9 -3.946 1.182 -5.427 90 HD13 ILE 9 2HD1 ILE 9 -3.717 -0.080 -6.638 91 H VAL 10 H VAL 10 -1.692 3.357 -3.623 92 HA VAL 10 HA VAL 10 1.196 3.983 -3.158 93 HB VAL 10 HB VAL 10 0.245 4.447 -0.805 94 HG11 VAL 10 1HG1 VAL 10 0.545 5.990 -3.045 95 HG12 VAL 10 2HG1 VAL 10 0.111 6.620 -1.455 96 HG13 VAL 10 3HG1 VAL 10 -1.147 6.284 -2.645 97 HG21 VAL 10 3HG2 VAL 10 -1.934 3.136 -1.598 98 HG22 VAL 10 1HG2 VAL 10 -2.398 4.732 -2.188 99 HG23 VAL 10 2HG2 VAL 10 -2.053 4.491 -0.475 100 H HIS 11 H HIS 11 -1.121 1.448 -2.967 101 HA HIS 11 HA HIS 11 -0.177 -0.072 -0.752 102 HB2 HIS 11 2HB HIS 11 -2.265 -0.444 -2.049 103 HB3 HIS 11 1HB HIS 11 -1.300 -0.981 -3.424 104 HD1 HIS 11 1HD HIS 11 -2.603 -3.322 -3.087 105 HD2 HIS 11 2HD HIS 11 0.054 -2.274 -0.050 106 HE1 HIS 11 1HE HIS 11 -2.170 -5.431 -1.755 107 H VAL 12 H VAL 12 0.431 -1.030 -4.141 108 HA VAL 12 HA VAL 12 2.816 -2.503 -3.453 109 HB VAL 12 HB VAL 12 2.979 -2.725 -5.917 110 HG11 VAL 12 1HG1 VAL 12 1.179 -4.127 -6.007 111 HG12 VAL 12 2HG1 VAL 12 0.047 -2.867 -5.516 112 HG13 VAL 12 3HG1 VAL 12 1.018 -3.702 -4.303 113 HG21 VAL 12 3HG2 VAL 12 1.468 -1.501 -7.369 114 HG22 VAL 12 1HG2 VAL 12 2.330 -0.331 -6.369 115 HG23 VAL 12 2HG2 VAL 12 0.664 -0.764 -5.984 116 H GLY 13 H GLY 13 2.265 0.800 -3.756 117 HA2 GLY 13 2HA GLY 13 4.955 1.431 -4.816 118 HA3 GLY 13 1HA GLY 13 3.698 2.607 -4.423 119 H LYS 14 H LYS 14 3.119 2.578 -1.958 120 HA LYS 14 HA LYS 14 5.183 3.564 -0.415 121 HB2 LYS 14 2HB LYS 14 2.706 3.473 0.070 122 HB3 LYS 14 1HB LYS 14 2.930 1.803 0.591 123 HG2 LYS 14 2HG LYS 14 3.395 2.641 2.636 124 HG3 LYS 14 1HG LYS 14 4.926 3.183 1.949 125 HD2 LYS 14 2HD LYS 14 4.117 5.204 2.733 126 HD3 LYS 14 1HD LYS 14 3.427 5.215 1.109 127 HE2 LYS 14 2HE LYS 14 1.319 4.244 2.015 128 HE3 LYS 14 1HE LYS 14 2.011 4.321 3.647 129 HZ1 LYS 14 3HZ LYS 14 2.557 6.760 2.856 130 HZ2 LYS 14 1HZ LYS 14 1.063 6.375 3.560 131 HZ3 LYS 14 2HZ LYS 14 1.198 6.500 1.871 132 H THR 15 H THR 15 4.556 0.204 -1.181 133 HA THR 15 HA THR 15 5.942 -1.117 0.887 134 HB THR 15 HB THR 15 5.698 -1.721 -2.075 135 HG1 THR 15 1HG THR 15 3.724 -1.484 -0.962 136 HG21 THR 15 3HG2 THR 15 7.263 -3.293 -1.467 137 HG22 THR 15 1HG2 THR 15 5.815 -4.142 -0.930 138 HG23 THR 15 2HG2 THR 15 6.797 -3.253 0.233 139 H ILE 16 H ILE 16 7.139 0.279 -2.158 140 HA ILE 16 HA ILE 16 9.813 -0.545 -2.028 141 HB ILE 16 HB ILE 16 8.157 1.219 -3.491 142 HG12 ILE 16 2HG1 ILE 16 10.551 1.259 -4.815 143 HG13 ILE 16 1HG1 ILE 16 10.749 -0.153 -3.778 144 HG21 ILE 16 1HG2 ILE 16 9.029 3.130 -2.264 145 HG22 ILE 16 2HG2 ILE 16 9.723 3.134 -3.885 146 HG23 ILE 16 3HG2 ILE 16 10.686 2.580 -2.515 147 HD11 ILE 16 3HD1 ILE 16 9.024 0.203 -6.112 148 HD12 ILE 16 1HD1 ILE 16 8.150 -0.414 -4.709 149 HD13 ILE 16 2HD1 ILE 16 9.556 -1.284 -5.326 150 H HIS 17 H HIS 17 8.324 2.355 -0.722 151 HA HIS 17 HA HIS 17 10.453 3.640 0.489 152 HB2 HIS 17 2HB HIS 17 7.579 3.481 0.715 153 HB3 HIS 17 1HB HIS 17 8.287 3.691 2.314 154 HD1 HIS 17 1HD HIS 17 10.539 5.558 1.966 155 HD2 HIS 17 2HD HIS 17 7.041 6.003 -0.259 156 HE1 HIS 17 1HE HIS 17 10.484 7.968 1.190 157 H ARG 18 H ARG 18 8.810 0.699 1.523 158 HA ARG 18 HA ARG 18 10.134 0.602 4.091 159 HB2 ARG 18 2HB ARG 18 8.402 -1.259 2.481 160 HB3 ARG 18 1HB ARG 18 9.041 -1.705 4.065 161 HG2 ARG 18 2HG ARG 18 7.916 0.928 4.237 162 HG3 ARG 18 1HG ARG 18 6.729 -0.146 3.499 163 HD2 ARG 18 2HD ARG 18 8.243 -0.934 6.002 164 HD3 ARG 18 1HD ARG 18 6.701 -0.056 6.066 165 HE ARG 18 HE ARG 18 7.038 -2.718 4.731 166 HH11 ARG 18 1HH2 ARG 18 4.782 -0.343 4.730 167 HH12 ARG 18 2HH2 ARG 18 3.516 -1.247 5.490 168 HH21 ARG 18 1HH1 ARG 18 5.581 -3.878 6.409 169 HH22 ARG 18 2HH1 ARG 18 3.968 -3.248 6.441 170 H LEU 19 H LEU 19 10.735 -0.579 0.888 171 HA LEU 19 HA LEU 19 12.483 -2.722 1.393 172 HB2 LEU 19 2HB LEU 19 13.044 -2.488 -0.876 173 HB3 LEU 19 1HB LEU 19 11.483 -1.674 -0.798 174 HG LEU 19 HG LEU 19 12.989 0.442 -0.246 175 HD11 LEU 19 1HD1 LEU 19 15.202 0.114 -0.488 176 HD12 LEU 19 2HD1 LEU 19 14.941 -0.370 -2.163 177 HD13 LEU 19 3HD1 LEU 19 14.915 -1.581 -0.880 178 HD21 LEU 19 3HD2 LEU 19 12.188 -0.842 -2.811 179 HD22 LEU 19 1HD2 LEU 19 13.302 0.519 -2.924 180 HD23 LEU 19 2HD2 LEU 19 11.731 0.728 -2.152 181 H VAL 20 H VAL 20 12.912 0.669 1.762 182 HA VAL 20 HA VAL 20 15.795 0.351 2.300 183 HB VAL 20 HB VAL 20 15.431 2.065 0.717 184 HG11 VAL 20 1HG1 VAL 20 13.039 2.250 0.789 185 HG12 VAL 20 2HG1 VAL 20 13.676 3.855 1.149 186 HG13 VAL 20 3HG1 VAL 20 13.075 2.832 2.453 187 HG21 VAL 20 3HG2 VAL 20 16.855 2.839 2.557 188 HG22 VAL 20 1HG2 VAL 20 15.430 3.370 3.449 189 HG23 VAL 20 2HG2 VAL 20 15.880 4.176 1.946 190 H THR 21 H THR 21 12.846 0.504 3.849 191 HA THR 21 HA THR 21 12.860 2.086 6.042 192 HB THR 21 HB THR 21 11.356 0.123 5.422 193 HG1 THR 21 1HG THR 21 12.035 0.030 8.143 194 HG21 THR 21 3HG2 THR 21 11.891 -2.047 6.218 195 HG22 THR 21 1HG2 THR 21 13.221 -1.442 7.207 196 HG23 THR 21 2HG2 THR 21 13.371 -1.472 5.450 197 H GLY 22 H GLY 22 15.110 -0.521 5.491 198 HA2 GLY 22 1HA GLY 22 17.083 0.497 7.237 199 HA3 GLY 22 2HA GLY 22 16.202 -0.777 8.074 Start of MODEL 8 1 H1 PHE 1 1HT PHE 1 -3.527 6.345 -20.484 2 H2 PHE 1 2HT PHE 1 -3.169 5.703 -22.015 3 H3 PHE 1 3HT PHE 1 -4.589 6.606 -21.781 4 HA PHE 1 HA PHE 1 -2.361 7.646 -22.816 5 HB2 PHE 1 2HB PHE 1 -4.751 8.583 -21.303 6 HB3 PHE 1 1HB PHE 1 -3.506 9.787 -21.637 7 HD1 PHE 1 1HD PHE 1 -4.572 6.823 -23.652 8 HD2 PHE 1 2HD PHE 1 -4.355 11.105 -23.394 9 HE1 PHE 1 1HE PHE 1 -5.372 7.004 -25.991 10 HE2 PHE 1 2HE PHE 1 -5.155 11.287 -25.735 11 HZ PHE 1 HZ PHE 1 -5.663 9.236 -27.033 12 H PHE 2 H PHE 2 -3.243 8.799 -19.563 13 HA PHE 2 HA PHE 2 -0.322 8.971 -18.929 14 HB2 PHE 2 2HB PHE 2 -2.758 10.584 -18.427 15 HB3 PHE 2 1HB PHE 2 -1.623 10.498 -17.079 16 HD1 PHE 2 1HD PHE 2 -1.905 11.309 -20.706 17 HD2 PHE 2 2HD PHE 2 0.429 11.691 -17.120 18 HE1 PHE 2 1HE PHE 2 -0.430 12.949 -21.840 19 HE2 PHE 2 2HE PHE 2 1.905 13.331 -18.256 20 HZ PHE 2 HZ PHE 2 1.474 13.959 -20.615 21 H HIS 3 H HIS 3 -3.213 8.847 -16.839 22 HA HIS 3 HA HIS 3 -1.867 6.678 -15.272 23 HB2 HIS 3 2HB HIS 3 -3.395 7.549 -13.459 24 HB3 HIS 3 1HB HIS 3 -2.251 8.747 -14.063 25 HD1 HIS 3 1HD HIS 3 -3.195 10.646 -15.591 26 HD2 HIS 3 2HD HIS 3 -6.111 8.083 -14.074 27 HE1 HIS 3 1HE HIS 3 -5.424 11.771 -16.009 28 H HIS 4 H HIS 4 -4.482 7.291 -17.382 29 HA HIS 4 HA HIS 4 -6.651 5.828 -16.515 30 HB2 HIS 4 2HB HIS 4 -5.251 6.087 -19.169 31 HB3 HIS 4 1HB HIS 4 -6.720 5.122 -19.031 32 HD1 HIS 4 1HD HIS 4 -6.772 7.870 -16.659 33 HD2 HIS 4 2HD HIS 4 -7.787 7.397 -20.674 34 HE1 HIS 4 1HE HIS 4 -8.247 9.839 -17.261 35 H ILE 5 H ILE 5 -3.480 4.600 -17.353 36 HA ILE 5 HA ILE 5 -4.325 1.799 -17.522 37 HB ILE 5 HB ILE 5 -1.746 3.365 -17.541 38 HG12 ILE 5 2HG1 ILE 5 -3.215 3.205 -19.577 39 HG13 ILE 5 1HG1 ILE 5 -1.605 2.525 -19.815 40 HG21 ILE 5 1HG2 ILE 5 -0.852 0.927 -18.171 41 HG22 ILE 5 2HG2 ILE 5 -2.152 0.444 -17.083 42 HG23 ILE 5 3HG2 ILE 5 -0.867 1.503 -16.505 43 HD11 ILE 5 3HD1 ILE 5 -4.199 1.204 -19.932 44 HD12 ILE 5 1HD1 ILE 5 -3.104 0.394 -18.813 45 HD13 ILE 5 2HD1 ILE 5 -2.628 0.633 -20.494 46 H PHE 6 H PHE 6 -3.613 0.172 -15.960 47 HA PHE 6 HA PHE 6 -3.897 1.032 -13.187 48 HB2 PHE 6 2HB PHE 6 -3.460 -1.487 -12.841 49 HB3 PHE 6 1HB PHE 6 -4.876 -1.048 -13.793 50 HD1 PHE 6 2HD PHE 6 -1.323 -2.168 -14.047 51 HD2 PHE 6 1HD PHE 6 -5.086 -1.703 -16.069 52 HE1 PHE 6 2HE PHE 6 -0.458 -3.485 -15.957 53 HE2 PHE 6 1HE PHE 6 -4.220 -3.027 -17.978 54 HZ PHE 6 HZ PHE 6 -1.906 -3.915 -17.923 55 H ARG 7 H ARG 7 -1.688 2.379 -14.062 56 HA ARG 7 HA ARG 7 0.817 0.984 -13.711 57 HB2 ARG 7 2HB ARG 7 1.727 3.172 -13.961 58 HB3 ARG 7 1HB ARG 7 0.235 3.200 -14.900 59 HG2 ARG 7 2HG ARG 7 -0.361 5.003 -13.679 60 HG3 ARG 7 1HG ARG 7 -0.581 3.894 -12.324 61 HD2 ARG 7 2HD ARG 7 0.938 5.727 -11.673 62 HD3 ARG 7 1HD ARG 7 1.837 4.197 -11.734 63 HE ARG 7 HE ARG 7 2.465 4.896 -14.119 64 HH11 ARG 7 1HH2 ARG 7 0.683 7.426 -13.057 65 HH12 ARG 7 2HH2 ARG 7 1.929 8.624 -13.151 66 HH21 ARG 7 1HH1 ARG 7 4.472 6.320 -13.652 67 HH22 ARG 7 2HH1 ARG 7 4.077 7.998 -13.487 68 2HA UVR 8 2HA UVR 8 3.056 2.342 -9.593 69 1HA UVR 8 1HA UVR 8 2.028 0.923 -9.362 70 1HB UVR 8 1HB UVR 8 2.974 1.007 -12.811 71 2HB UVR 8 2HB UVR 8 3.368 1.241 -11.415 72 1HG UVR 8 1HG UVR 8 4.764 2.632 -13.020 73 2HG UVR 8 2HG UVR 8 4.068 3.764 -11.839 74 1HD UVR 8 1HD UVR 8 5.934 2.924 -10.693 75 2HD UVR 8 2HD UVR 8 4.667 1.866 -10.029 76 1HE UVR 8 1HE UVR 8 7.130 1.017 -11.495 77 2HE UVR 8 2HE UVR 8 6.067 1.450 -12.415 78 2HZ UVR 8 2HZ UVR 8 5.922 -0.263 -13.148 79 1HZ UVR 8 1HZ UVR 8 5.507 -1.067 -11.785 80 H ILE 9 H ILE 9 0.476 1.182 -7.983 81 HA ILE 9 HA ILE 9 -1.069 3.678 -7.627 82 HB ILE 9 HB ILE 9 -1.761 1.102 -7.710 83 HG12 ILE 9 2HG1 ILE 9 -3.780 1.740 -6.296 84 HG13 ILE 9 1HG1 ILE 9 -2.959 3.268 -5.973 85 HG21 ILE 9 1HG2 ILE 9 -1.967 1.285 -4.779 86 HG22 ILE 9 2HG2 ILE 9 -0.325 1.047 -5.374 87 HG23 ILE 9 3HG2 ILE 9 -1.592 -0.102 -5.800 88 HD11 ILE 9 3HD1 ILE 9 -2.977 2.535 -8.814 89 HD12 ILE 9 1HD1 ILE 9 -3.386 4.068 -8.048 90 HD13 ILE 9 2HD1 ILE 9 -4.589 2.782 -8.144 91 H VAL 10 H VAL 10 -1.582 3.107 -4.760 92 HA VAL 10 HA VAL 10 0.836 4.430 -3.665 93 HB VAL 10 HB VAL 10 -1.982 3.912 -2.679 94 HG11 VAL 10 1HG1 VAL 10 -1.274 5.511 -0.815 95 HG12 VAL 10 2HG1 VAL 10 0.390 5.189 -1.301 96 HG13 VAL 10 3HG1 VAL 10 -0.626 3.873 -0.710 97 HG21 VAL 10 3HG2 VAL 10 -0.574 6.068 -4.095 98 HG22 VAL 10 1HG2 VAL 10 -1.460 6.627 -2.677 99 HG23 VAL 10 2HG2 VAL 10 -2.305 5.760 -3.960 100 H HIS 11 H HIS 11 -1.192 1.548 -3.085 101 HA HIS 11 HA HIS 11 0.233 0.530 -0.831 102 HB2 HIS 11 2HB HIS 11 -1.980 -0.116 -2.347 103 HB3 HIS 11 1HB HIS 11 -0.870 -1.430 -2.732 104 HD1 HIS 11 1HD HIS 11 -2.216 -3.150 -1.319 105 HD2 HIS 11 2HD HIS 11 -0.801 0.094 0.882 106 HE1 HIS 11 1HE HIS 11 -2.505 -3.761 1.121 107 H VAL 12 H VAL 12 0.600 -0.188 -4.323 108 HA VAL 12 HA VAL 12 2.740 -2.047 -4.068 109 HB VAL 12 HB VAL 12 2.257 -0.095 -6.329 110 HG11 VAL 12 1HG1 VAL 12 3.920 -1.360 -7.190 111 HG12 VAL 12 2HG1 VAL 12 2.697 -2.621 -7.344 112 HG13 VAL 12 3HG1 VAL 12 3.753 -2.584 -5.933 113 HG21 VAL 12 3HG2 VAL 12 0.628 -2.420 -5.352 114 HG22 VAL 12 1HG2 VAL 12 0.725 -2.109 -7.085 115 HG23 VAL 12 2HG2 VAL 12 0.085 -0.875 -6.002 116 H GLY 13 H GLY 13 2.641 1.322 -3.580 117 HA2 GLY 13 2HA GLY 13 5.544 1.664 -4.089 118 HA3 GLY 13 1HA GLY 13 4.410 2.962 -3.712 119 H LYS 14 H LYS 14 3.220 2.156 -1.409 120 HA LYS 14 HA LYS 14 4.871 2.871 0.673 121 HB2 LYS 14 2HB LYS 14 2.462 2.532 0.859 122 HB3 LYS 14 1HB LYS 14 2.659 0.797 0.611 123 HG2 LYS 14 2HG LYS 14 2.622 0.774 2.903 124 HG3 LYS 14 1HG LYS 14 4.337 1.129 2.696 125 HD2 LYS 14 2HD LYS 14 4.015 3.027 3.859 126 HD3 LYS 14 1HD LYS 14 3.034 3.617 2.516 127 HE2 LYS 14 2HE LYS 14 1.041 3.140 3.585 128 HE3 LYS 14 1HE LYS 14 1.723 1.752 4.455 129 HZ1 LYS 14 3HZ LYS 14 3.024 3.251 5.807 130 HZ2 LYS 14 1HZ LYS 14 1.384 3.668 5.927 131 HZ3 LYS 14 2HZ LYS 14 2.426 4.595 4.958 132 H THR 15 H THR 15 4.542 -0.402 -0.702 133 HA THR 15 HA THR 15 6.176 -1.734 1.223 134 HB THR 15 HB THR 15 6.375 -3.097 -1.210 135 HG1 THR 15 1HG THR 15 3.952 -2.814 -1.680 136 HG21 THR 15 3HG2 THR 15 5.523 -4.573 0.254 137 HG22 THR 15 1HG2 THR 15 3.939 -3.847 -0.018 138 HG23 THR 15 2HG2 THR 15 4.957 -3.273 1.302 139 H ILE 16 H ILE 16 6.924 -0.551 -2.075 140 HA ILE 16 HA ILE 16 9.659 -1.180 -2.111 141 HB ILE 16 HB ILE 16 7.760 0.211 -3.655 142 HG12 ILE 16 2HG1 ILE 16 9.856 0.281 -5.270 143 HG13 ILE 16 1HG1 ILE 16 10.597 -0.685 -3.993 144 HG21 ILE 16 1HG2 ILE 16 8.648 2.313 -4.227 145 HG22 ILE 16 2HG2 ILE 16 10.218 1.950 -3.513 146 HG23 ILE 16 3HG2 ILE 16 8.835 2.281 -2.472 147 HD11 ILE 16 3HD1 ILE 16 8.050 -1.799 -4.333 148 HD12 ILE 16 1HD1 ILE 16 9.578 -2.482 -4.892 149 HD13 ILE 16 2HD1 ILE 16 8.618 -1.472 -5.971 150 H HIS 17 H HIS 17 7.929 1.415 -0.612 151 HA HIS 17 HA HIS 17 10.081 3.131 0.055 152 HB2 HIS 17 2HB HIS 17 7.262 2.734 0.651 153 HB3 HIS 17 1HB HIS 17 8.140 3.312 2.066 154 HD1 HIS 17 1HD HIS 17 9.770 5.473 1.534 155 HD2 HIS 17 2HD HIS 17 6.638 4.762 -1.127 156 HE1 HIS 17 1HE HIS 17 9.424 7.626 0.241 157 H ARG 18 H ARG 18 8.447 0.602 2.002 158 HA ARG 18 HA ARG 18 10.025 0.806 4.298 159 HB2 ARG 18 2HB ARG 18 8.782 -1.617 3.008 160 HB3 ARG 18 1HB ARG 18 9.286 -1.513 4.695 161 HG2 ARG 18 2HG ARG 18 7.698 0.757 4.287 162 HG3 ARG 18 1HG ARG 18 6.846 -0.542 3.453 163 HD2 ARG 18 2HD ARG 18 7.875 -1.451 6.026 164 HD3 ARG 18 1HD ARG 18 6.786 -0.060 6.208 165 HE ARG 18 HE ARG 18 5.773 -2.006 4.298 166 HH11 ARG 18 1HH1 ARG 18 6.481 -2.004 7.617 167 HH12 ARG 18 2HH1 ARG 18 4.901 -2.508 8.116 168 HH21 ARG 18 1HH2 ARG 18 3.540 -2.301 4.933 169 HH22 ARG 18 2HH2 ARG 18 3.235 -2.676 6.596 170 H LEU 19 H LEU 19 10.685 -0.843 1.283 171 HA LEU 19 HA LEU 19 12.862 -2.451 2.009 172 HB2 LEU 19 2HB LEU 19 11.868 -1.072 -0.413 173 HB3 LEU 19 1HB LEU 19 13.555 -1.581 -0.465 174 HG LEU 19 HG LEU 19 12.211 -3.760 0.649 175 HD11 LEU 19 1HD1 LEU 19 10.712 -3.455 -1.833 176 HD12 LEU 19 2HD1 LEU 19 10.287 -2.212 -0.656 177 HD13 LEU 19 3HD1 LEU 19 10.137 -3.918 -0.230 178 HD21 LEU 19 3HD2 LEU 19 12.657 -3.677 -2.299 179 HD22 LEU 19 1HD2 LEU 19 13.186 -4.874 -1.117 180 HD23 LEU 19 2HD2 LEU 19 14.050 -3.344 -1.270 181 H VAL 20 H VAL 20 12.984 0.835 0.747 182 HA VAL 20 HA VAL 20 15.755 1.249 1.309 183 HB VAL 20 HB VAL 20 14.663 2.523 -0.407 184 HG11 VAL 20 1HG1 VAL 20 12.358 2.452 0.308 185 HG12 VAL 20 2HG1 VAL 20 12.823 4.150 0.260 186 HG13 VAL 20 3HG1 VAL 20 12.746 3.305 1.803 187 HG21 VAL 20 3HG2 VAL 20 16.355 3.699 1.010 188 HG22 VAL 20 1HG2 VAL 20 15.029 4.324 1.988 189 HG23 VAL 20 2HG2 VAL 20 15.173 4.793 0.292 190 H THR 21 H THR 21 13.162 1.022 3.377 191 HA THR 21 HA THR 21 13.048 2.918 5.274 192 HB THR 21 HB THR 21 13.402 -0.055 5.528 193 HG1 THR 21 1HG THR 21 11.184 0.169 6.088 194 HG21 THR 21 3HG2 THR 21 12.733 1.844 7.793 195 HG22 THR 21 1HG2 THR 21 14.269 0.995 7.614 196 HG23 THR 21 2HG2 THR 21 12.783 0.084 7.885 197 H GLY 22 H GLY 22 15.868 0.935 4.696 198 HA2 GLY 22 1HA GLY 22 18.001 0.922 5.712 199 HA3 GLY 22 2HA GLY 22 17.840 2.665 5.509 Start of MODEL 9 1 H1 PHE 1 1HT PHE 1 -11.868 3.340 1.938 2 H2 PHE 1 2HT PHE 1 -13.057 4.408 1.362 3 H3 PHE 1 3HT PHE 1 -11.642 5.015 2.082 4 HA PHE 1 HA PHE 1 -10.335 3.985 0.238 5 HB2 PHE 1 2HB PHE 1 -12.614 2.549 -0.047 6 HB3 PHE 1 1HB PHE 1 -12.888 3.781 -1.278 7 HD1 PHE 1 1HD PHE 1 -9.728 2.164 -0.082 8 HD2 PHE 1 2HD PHE 1 -12.432 2.798 -3.359 9 HE1 PHE 1 1HE PHE 1 -8.157 0.997 -1.605 10 HE2 PHE 1 2HE PHE 1 -10.861 1.629 -4.881 11 HZ PHE 1 HZ PHE 1 -8.724 0.729 -4.003 12 H PHE 2 H PHE 2 -10.140 5.248 -1.874 13 HA PHE 2 HA PHE 2 -11.524 7.902 -1.658 14 HB2 PHE 2 2HB PHE 2 -9.291 8.752 -2.593 15 HB3 PHE 2 1HB PHE 2 -9.260 8.160 -0.932 16 HD1 PHE 2 2HD PHE 2 -8.736 7.016 -4.462 17 HD2 PHE 2 1HD PHE 2 -7.743 6.481 -0.316 18 HE1 PHE 2 2HE PHE 2 -7.018 5.342 -5.089 19 HE2 PHE 2 1HE PHE 2 -6.024 4.809 -0.945 20 HZ PHE 2 HZ PHE 2 -5.661 4.239 -3.331 21 H HIS 3 H HIS 3 -10.659 9.042 -4.000 22 HA HIS 3 HA HIS 3 -11.533 7.120 -6.134 23 HB2 HIS 3 2HB HIS 3 -12.866 9.359 -5.069 24 HB3 HIS 3 1HB HIS 3 -12.228 9.899 -6.620 25 HD1 HIS 3 1HD HIS 3 -15.130 9.737 -6.754 26 HD2 HIS 3 2HD HIS 3 -12.828 6.296 -7.239 27 HE1 HIS 3 1HE HIS 3 -16.591 8.065 -7.971 28 H HIS 4 H HIS 4 -9.044 9.051 -5.043 29 HA HIS 4 HA HIS 4 -8.033 10.614 -7.060 30 HB2 HIS 4 2HB HIS 4 -6.494 8.474 -5.557 31 HB3 HIS 4 1HB HIS 4 -5.835 9.975 -6.207 32 HD1 HIS 4 1HD HIS 4 -7.832 12.039 -5.295 33 HD2 HIS 4 2HD HIS 4 -6.588 8.918 -2.829 34 HE1 HIS 4 1HE HIS 4 -8.267 12.790 -2.917 35 H ILE 5 H ILE 5 -6.695 10.212 -8.946 36 HA ILE 5 HA ILE 5 -7.558 8.029 -10.613 37 HB ILE 5 HB ILE 5 -6.746 10.315 -11.305 38 HG12 ILE 5 2HG1 ILE 5 -5.284 9.400 -13.206 39 HG13 ILE 5 1HG1 ILE 5 -5.466 7.820 -12.442 40 HG21 ILE 5 1HG2 ILE 5 -4.848 10.599 -9.864 41 HG22 ILE 5 2HG2 ILE 5 -4.216 10.495 -11.507 42 HG23 ILE 5 3HG2 ILE 5 -4.113 9.100 -10.433 43 HD11 ILE 5 3HD1 ILE 5 -8.018 9.214 -12.689 44 HD12 ILE 5 1HD1 ILE 5 -7.576 7.589 -13.209 45 HD13 ILE 5 2HD1 ILE 5 -7.242 8.970 -14.253 46 H PHE 6 H PHE 6 -6.131 6.310 -11.475 47 HA PHE 6 HA PHE 6 -4.534 5.060 -9.358 48 HB2 PHE 6 2HB PHE 6 -4.600 3.171 -10.816 49 HB3 PHE 6 1HB PHE 6 -6.153 3.977 -11.038 50 HD1 PHE 6 1HD PHE 6 -6.575 5.367 -13.051 51 HD2 PHE 6 2HD PHE 6 -2.948 3.118 -12.573 52 HE1 PHE 6 1HE PHE 6 -6.093 5.630 -15.469 53 HE2 PHE 6 2HE PHE 6 -2.464 3.381 -14.991 54 HZ PHE 6 HZ PHE 6 -4.037 4.639 -16.439 55 H ARG 7 H ARG 7 -3.830 7.462 -11.515 56 HA ARG 7 HA ARG 7 -1.532 6.918 -12.929 57 HB2 ARG 7 2HB ARG 7 -2.883 9.138 -12.013 58 HB3 ARG 7 1HB ARG 7 -1.316 9.310 -11.222 59 HG2 ARG 7 2HG ARG 7 -1.000 8.480 -13.985 60 HG3 ARG 7 1HG ARG 7 -1.921 9.981 -13.871 61 HD2 ARG 7 2HD ARG 7 -0.090 11.163 -13.220 62 HD3 ARG 7 1HD ARG 7 0.387 9.917 -12.050 63 HE ARG 7 HE ARG 7 1.558 8.752 -13.817 64 HH11 ARG 7 1HH1 ARG 7 2.600 11.478 -14.362 65 HH12 ARG 7 2HH1 ARG 7 2.288 11.671 -16.054 66 HH21 ARG 7 1HH2 ARG 7 0.010 9.060 -16.202 67 HH22 ARG 7 2HH2 ARG 7 0.822 10.303 -17.097 68 2HA UVR 8 2HA UVR 8 0.507 7.827 -7.971 69 1HA UVR 8 1HA UVR 8 1.170 6.604 -9.060 70 1HB UVR 8 1HB UVR 8 -2.869 7.923 -9.798 71 2HB UVR 8 2HB UVR 8 -1.657 8.755 -9.920 72 1HG UVR 8 1HG UVR 8 -2.523 10.125 -8.880 73 2HG UVR 8 2HG UVR 8 -2.663 9.184 -7.377 74 1HD UVR 8 1HD UVR 8 -0.146 9.049 -7.252 75 2HD UVR 8 2HD UVR 8 0.014 10.020 -8.735 76 1HE UVR 8 1HE UVR 8 -1.637 11.733 -7.049 77 2HE UVR 8 2HE UVR 8 -0.466 11.656 -7.936 78 2HZ UVR 8 2HZ UVR 8 1.340 11.482 -7.002 79 1HZ UVR 8 1HZ UVR 8 0.444 12.808 -6.660 80 H ILE 9 H ILE 9 0.659 4.479 -8.705 81 HA ILE 9 HA ILE 9 -1.179 3.231 -6.986 82 HB ILE 9 HB ILE 9 0.525 2.324 -8.701 83 HG12 ILE 9 2HG1 ILE 9 0.766 0.153 -7.259 84 HG13 ILE 9 1HG1 ILE 9 -0.204 1.034 -6.080 85 HG21 ILE 9 1HG2 ILE 9 2.479 3.338 -7.417 86 HG22 ILE 9 2HG2 ILE 9 2.673 1.648 -7.883 87 HG23 ILE 9 3HG2 ILE 9 2.243 2.060 -6.223 88 HD11 ILE 9 3HD1 ILE 9 -1.207 -0.423 -8.210 89 HD12 ILE 9 1HD1 ILE 9 -1.267 1.238 -8.801 90 HD13 ILE 9 2HD1 ILE 9 -2.092 0.805 -7.304 91 H VAL 10 H VAL 10 -1.423 3.332 -4.790 92 HA VAL 10 HA VAL 10 0.849 4.352 -3.141 93 HB VAL 10 HB VAL 10 -2.120 4.055 -2.584 94 HG11 VAL 10 1HG1 VAL 10 -1.323 4.240 -0.449 95 HG12 VAL 10 2HG1 VAL 10 -1.202 5.949 -0.869 96 HG13 VAL 10 3HG1 VAL 10 0.220 4.911 -0.975 97 HG21 VAL 10 3HG2 VAL 10 -0.442 6.168 -3.838 98 HG22 VAL 10 1HG2 VAL 10 -1.653 6.717 -2.678 99 HG23 VAL 10 2HG2 VAL 10 -2.146 5.788 -4.092 100 H HIS 11 H HIS 11 -0.205 1.424 -4.113 101 HA HIS 11 HA HIS 11 -0.136 0.107 -1.442 102 HB2 HIS 11 2HB HIS 11 -1.890 -0.407 -3.151 103 HB3 HIS 11 1HB HIS 11 -0.623 -0.988 -4.233 104 HD1 HIS 11 1HD HIS 11 0.382 -1.861 -0.915 105 HD2 HIS 11 2HD HIS 11 -2.304 -3.491 -3.655 106 HE1 HIS 11 1HE HIS 11 -0.031 -4.249 -0.178 107 H VAL 12 H VAL 12 1.204 -0.882 -4.607 108 HA VAL 12 HA VAL 12 3.414 -2.307 -3.495 109 HB VAL 12 HB VAL 12 4.207 -2.254 -5.855 110 HG11 VAL 12 1HG1 VAL 12 2.003 -3.493 -4.891 111 HG12 VAL 12 2HG1 VAL 12 2.546 -3.667 -6.559 112 HG13 VAL 12 3HG1 VAL 12 1.263 -2.523 -6.164 113 HG21 VAL 12 3HG2 VAL 12 3.806 -0.132 -6.704 114 HG22 VAL 12 1HG2 VAL 12 2.223 -0.010 -5.934 115 HG23 VAL 12 2HG2 VAL 12 2.427 -1.000 -7.381 116 H GLY 13 H GLY 13 2.874 1.032 -3.791 117 HA2 GLY 13 2HA GLY 13 5.698 1.789 -4.041 118 HA3 GLY 13 1HA GLY 13 4.347 2.896 -3.788 119 H LYS 14 H LYS 14 3.192 2.110 -1.488 120 HA LYS 14 HA LYS 14 4.740 3.130 0.578 121 HB2 LYS 14 2HB LYS 14 2.231 2.311 0.335 122 HB3 LYS 14 1HB LYS 14 2.861 0.860 1.115 123 HG2 LYS 14 2HG LYS 14 3.649 3.475 2.301 124 HG3 LYS 14 1HG LYS 14 1.974 2.968 2.528 125 HD2 LYS 14 2HD LYS 14 3.116 0.654 3.153 126 HD3 LYS 14 1HD LYS 14 4.493 1.694 3.522 127 HE2 LYS 14 2HE LYS 14 1.826 2.554 4.563 128 HE3 LYS 14 1HE LYS 14 2.619 1.187 5.367 129 HZ1 LYS 14 3HZ LYS 14 4.526 2.440 5.788 130 HZ2 LYS 14 1HZ LYS 14 3.261 3.512 6.146 131 HZ3 LYS 14 2HZ LYS 14 4.100 3.651 4.675 132 H THR 15 H THR 15 4.286 -0.371 -0.117 133 HA THR 15 HA THR 15 6.105 -1.343 1.811 134 HB THR 15 HB THR 15 5.584 -2.475 -0.954 135 HG1 THR 15 1HG THR 15 3.581 -2.323 -0.319 136 HG21 THR 15 3HG2 THR 15 7.184 -3.434 1.020 137 HG22 THR 15 1HG2 THR 15 6.326 -4.467 -0.124 138 HG23 THR 15 2HG2 THR 15 5.646 -4.167 1.476 139 H ILE 16 H ILE 16 6.623 -0.410 -1.590 140 HA ILE 16 HA ILE 16 9.354 -1.024 -1.804 141 HB ILE 16 HB ILE 16 7.331 0.281 -3.259 142 HG12 ILE 16 2HG1 ILE 16 8.967 0.084 -5.128 143 HG13 ILE 16 1HG1 ILE 16 10.227 -0.277 -3.948 144 HG21 ILE 16 1HG2 ILE 16 8.038 2.478 -2.570 145 HG22 ILE 16 2HG2 ILE 16 8.638 2.237 -4.210 146 HG23 ILE 16 3HG2 ILE 16 9.735 2.080 -2.836 147 HD11 ILE 16 3HD1 ILE 16 8.020 -1.984 -4.927 148 HD12 ILE 16 1HD1 ILE 16 8.308 -2.054 -3.188 149 HD13 ILE 16 2HD1 ILE 16 9.610 -2.440 -4.314 150 H HIS 17 H HIS 17 7.806 1.960 -0.785 151 HA HIS 17 HA HIS 17 9.922 3.608 -0.158 152 HB2 HIS 17 2HB HIS 17 7.169 3.177 0.655 153 HB3 HIS 17 1HB HIS 17 8.128 3.749 2.018 154 HD1 HIS 17 1HD HIS 17 10.016 5.722 0.839 155 HD2 HIS 17 2HD HIS 17 6.070 5.439 -0.476 156 HE1 HIS 17 1HE HIS 17 9.460 7.945 -0.244 157 H ARG 18 H ARG 18 8.631 0.924 1.795 158 HA ARG 18 HA ARG 18 10.589 1.245 3.885 159 HB2 ARG 18 2HB ARG 18 8.722 -1.031 3.213 160 HB3 ARG 18 1HB ARG 18 9.544 -0.793 4.758 161 HG2 ARG 18 2HG ARG 18 8.348 1.621 4.500 162 HG3 ARG 18 1HG ARG 18 7.185 0.616 3.634 163 HD2 ARG 18 2HD ARG 18 6.362 0.303 5.773 164 HD3 ARG 18 1HD ARG 18 7.612 -0.958 5.805 165 HE ARG 18 HE ARG 18 8.005 1.812 6.871 166 HH11 ARG 18 1HH1 ARG 18 7.818 -1.278 7.950 167 HH12 ARG 18 2HH1 ARG 18 9.398 -1.354 8.655 168 HH21 ARG 18 1HH2 ARG 18 10.469 1.618 7.230 169 HH22 ARG 18 2HH2 ARG 18 10.900 0.283 8.244 170 H LEU 19 H LEU 19 10.418 -0.421 0.871 171 HA LEU 19 HA LEU 19 12.104 -2.597 1.130 172 HB2 LEU 19 2HB LEU 19 12.369 -2.409 -1.189 173 HB3 LEU 19 1HB LEU 19 10.954 -1.393 -0.930 174 HG LEU 19 HG LEU 19 12.727 0.521 -0.607 175 HD11 LEU 19 1HD1 LEU 19 14.869 0.107 -1.229 176 HD12 LEU 19 2HD1 LEU 19 14.368 -0.856 -2.620 177 HD13 LEU 19 3HD1 LEU 19 14.452 -1.594 -1.020 178 HD21 LEU 19 3HD2 LEU 19 12.079 -0.727 -3.297 179 HD22 LEU 19 1HD2 LEU 19 12.694 0.910 -3.079 180 HD23 LEU 19 2HD2 LEU 19 11.111 0.471 -2.441 181 H VAL 20 H VAL 20 12.868 0.765 1.327 182 HA VAL 20 HA VAL 20 15.737 0.180 1.645 183 HB VAL 20 HB VAL 20 15.378 1.877 0.021 184 HG11 VAL 20 1HG1 VAL 20 13.900 3.890 0.670 185 HG12 VAL 20 2HG1 VAL 20 13.283 2.860 1.962 186 HG13 VAL 20 3HG1 VAL 20 13.075 2.383 0.277 187 HG21 VAL 20 3HG2 VAL 20 17.094 2.562 1.583 188 HG22 VAL 20 1HG2 VAL 20 15.883 3.157 2.717 189 HG23 VAL 20 2HG2 VAL 20 16.129 3.982 1.179 190 H THR 21 H THR 21 12.891 1.206 3.268 191 HA THR 21 HA THR 21 14.242 2.246 5.624 192 HB THR 21 HB THR 21 11.353 1.537 5.591 193 HG1 THR 21 1HG THR 21 12.558 3.493 3.932 194 HG21 THR 21 3HG2 THR 21 12.824 4.104 6.241 195 HG22 THR 21 1HG2 THR 21 12.470 2.839 7.417 196 HG23 THR 21 2HG2 THR 21 11.151 3.716 6.641 197 H GLY 22 H GLY 22 15.128 -0.355 5.189 198 HA2 GLY 22 1HA GLY 22 13.798 -2.541 6.184 199 HA3 GLY 22 2HA GLY 22 15.505 -2.264 6.522 Start of MODEL 10 1 H1 PHE 1 1HT PHE 1 -6.112 15.524 -0.384 2 H2 PHE 1 2HT PHE 1 -4.833 14.787 0.458 3 H3 PHE 1 3HT PHE 1 -5.291 14.209 -1.072 4 HA PHE 1 HA PHE 1 -4.709 16.565 -1.902 5 HB2 PHE 1 2HB PHE 1 -4.631 17.452 0.399 6 HB3 PHE 1 1HB PHE 1 -3.309 16.351 0.784 7 HD1 PHE 1 2HD PHE 1 -3.963 18.414 -2.272 8 HD2 PHE 1 1HD PHE 1 -1.388 17.663 1.084 9 HE1 PHE 1 2HE PHE 1 -2.333 20.063 -3.152 10 HE2 PHE 1 1HE PHE 1 0.241 19.313 0.204 11 HZ PHE 1 HZ PHE 1 -0.230 20.513 -1.914 12 H PHE 2 H PHE 2 -3.327 13.700 -0.452 13 HA PHE 2 HA PHE 2 -1.094 13.795 -2.458 14 HB2 PHE 2 2HB PHE 2 -1.002 13.735 0.314 15 HB3 PHE 2 1HB PHE 2 -0.778 12.042 -0.124 16 HD1 PHE 2 1HD PHE 2 1.043 11.410 -1.751 17 HD2 PHE 2 2HD PHE 2 0.713 15.349 -0.070 18 HE1 PHE 2 1HE PHE 2 3.391 11.883 -2.399 19 HE2 PHE 2 2HE PHE 2 3.059 15.823 -0.718 20 HZ PHE 2 HZ PHE 2 4.398 14.090 -1.882 21 H HIS 3 H HIS 3 -2.416 11.211 -0.381 22 HA HIS 3 HA HIS 3 -3.831 9.772 -2.399 23 HB2 HIS 3 2HB HIS 3 -0.979 9.794 -2.634 24 HB3 HIS 3 1HB HIS 3 -1.475 8.160 -2.196 25 HD1 HIS 3 1HD HIS 3 -0.446 9.053 -5.085 26 HD2 HIS 3 2HD HIS 3 -4.426 8.502 -3.974 27 HE1 HIS 3 1HE HIS 3 -1.729 8.601 -7.221 28 H HIS 4 H HIS 4 -3.709 10.309 0.567 29 HA HIS 4 HA HIS 4 -2.997 8.059 2.089 30 HB2 HIS 4 2HB HIS 4 -4.915 10.332 2.261 31 HB3 HIS 4 1HB HIS 4 -5.140 9.013 3.410 32 HD1 HIS 4 1HD HIS 4 -2.154 8.260 3.841 33 HD2 HIS 4 2HD HIS 4 -3.613 12.164 3.925 34 HE1 HIS 4 1HE HIS 4 -0.495 9.616 5.191 35 H ILE 5 H ILE 5 -5.750 8.570 -0.028 36 HA ILE 5 HA ILE 5 -7.664 6.757 0.820 37 HB ILE 5 HB ILE 5 -7.687 8.216 -1.214 38 HG12 ILE 5 2HG1 ILE 5 -8.223 5.352 -2.018 39 HG13 ILE 5 1HG1 ILE 5 -9.222 6.170 -0.817 40 HG21 ILE 5 1HG2 ILE 5 -6.258 7.898 -2.950 41 HG22 ILE 5 2HG2 ILE 5 -6.453 6.146 -2.903 42 HG23 ILE 5 3HG2 ILE 5 -5.319 6.936 -1.808 43 HD11 ILE 5 3HD1 ILE 5 -9.734 6.264 -3.477 44 HD12 ILE 5 1HD1 ILE 5 -8.706 7.688 -3.313 45 HD13 ILE 5 2HD1 ILE 5 -10.186 7.553 -2.362 46 H PHE 6 H PHE 6 -8.075 4.498 -0.130 47 HA PHE 6 HA PHE 6 -5.736 2.795 0.425 48 HB2 PHE 6 2HB PHE 6 -7.380 1.064 0.539 49 HB3 PHE 6 1HB PHE 6 -8.163 2.495 1.210 50 HD1 PHE 6 1HD PHE 6 -9.862 3.732 -0.084 51 HD2 PHE 6 2HD PHE 6 -8.040 0.156 -1.615 52 HE1 PHE 6 1HE PHE 6 -11.638 3.564 -1.807 53 HE2 PHE 6 2HE PHE 6 -9.816 -0.012 -3.338 54 HZ PHE 6 HZ PHE 6 -11.615 1.693 -3.433 55 H ARG 7 H ARG 7 -5.982 4.474 -2.142 56 HA ARG 7 HA ARG 7 -6.548 3.122 -4.468 57 HB2 ARG 7 2HB ARG 7 -4.483 5.036 -3.542 58 HB3 ARG 7 1HB ARG 7 -4.135 4.234 -5.074 59 HG2 ARG 7 2HG ARG 7 -6.913 5.186 -4.799 60 HG3 ARG 7 1HG ARG 7 -5.700 6.467 -4.830 61 HD2 ARG 7 2HD ARG 7 -5.367 6.175 -7.054 62 HD3 ARG 7 1HD ARG 7 -5.129 4.429 -6.838 63 HE ARG 7 HE ARG 7 -7.691 4.312 -6.686 64 HH11 ARG 7 1HH2 ARG 7 -7.751 7.408 -7.006 65 HH12 ARG 7 2HH2 ARG 7 -8.285 7.530 -8.649 66 HH21 ARG 7 1HH1 ARG 7 -7.628 4.204 -9.386 67 HH22 ARG 7 2HH1 ARG 7 -8.214 5.715 -9.998 68 2HA UVR 8 2HA UVR 8 -4.199 -0.397 -6.400 69 1HA UVR 8 1HA UVR 8 -3.941 -0.531 -4.655 70 1HB UVR 8 1HB UVR 8 -6.355 2.482 -6.160 71 2HB UVR 8 2HB UVR 8 -6.079 1.042 -6.315 72 1HG UVR 8 1HG UVR 8 -4.538 1.920 -8.422 73 2HG UVR 8 2HG UVR 8 -5.274 0.360 -7.986 74 1HD UVR 8 1HD UVR 8 -7.474 2.115 -7.956 75 2HD UVR 8 2HD UVR 8 -6.514 2.794 -9.290 76 1HE UVR 8 1HE UVR 8 -8.304 0.470 -9.482 77 2HE UVR 8 2HE UVR 8 -7.091 0.101 -8.735 78 2HZ UVR 8 2HZ UVR 8 -6.617 -0.305 -11.271 79 1HZ UVR 8 1HZ UVR 8 -5.381 0.117 -10.287 80 H ILE 9 H ILE 9 -2.710 2.355 -5.857 81 HA ILE 9 HA ILE 9 -0.102 1.476 -6.824 82 HB ILE 9 HB ILE 9 -1.434 4.056 -6.172 83 HG12 ILE 9 2HG1 ILE 9 -2.057 2.996 -8.268 84 HG13 ILE 9 1HG1 ILE 9 -1.071 4.418 -8.615 85 HG21 ILE 9 1HG2 ILE 9 0.559 5.057 -5.865 86 HG22 ILE 9 2HG2 ILE 9 0.947 4.642 -7.535 87 HG23 ILE 9 3HG2 ILE 9 1.409 3.554 -6.226 88 HD11 ILE 9 3HD1 ILE 9 -0.436 1.544 -8.970 89 HD12 ILE 9 1HD1 ILE 9 0.872 2.557 -8.363 90 HD13 ILE 9 2HD1 ILE 9 0.102 2.940 -9.902 91 H VAL 10 H VAL 10 -1.151 3.334 -3.952 92 HA VAL 10 HA VAL 10 1.181 3.642 -2.539 93 HB VAL 10 HB VAL 10 -0.314 3.213 -0.499 94 HG11 VAL 10 1HG1 VAL 10 -0.133 5.291 -2.258 95 HG12 VAL 10 2HG1 VAL 10 -1.083 5.337 -0.771 96 HG13 VAL 10 3HG1 VAL 10 -1.867 4.959 -2.307 97 HG21 VAL 10 3HG2 VAL 10 -1.732 1.500 -1.674 98 HG22 VAL 10 1HG2 VAL 10 -2.382 2.792 -2.681 99 HG23 VAL 10 2HG2 VAL 10 -2.671 2.802 -0.942 100 H HIS 11 H HIS 11 -0.567 0.602 -3.019 101 HA HIS 11 HA HIS 11 0.712 -1.036 -1.095 102 HB2 HIS 11 2HB HIS 11 -0.913 -1.257 -3.473 103 HB3 HIS 11 1HB HIS 11 0.319 -2.519 -3.480 104 HD1 HIS 11 1HD HIS 11 -2.918 -1.702 -2.049 105 HD2 HIS 11 2HD HIS 11 0.342 -4.024 -0.884 106 HE1 HIS 11 1HE HIS 11 -3.756 -3.248 -0.227 107 H VAL 12 H VAL 12 1.575 -0.814 -4.571 108 HA VAL 12 HA VAL 12 4.204 -2.008 -4.084 109 HB VAL 12 HB VAL 12 4.404 -1.594 -6.552 110 HG11 VAL 12 1HG1 VAL 12 2.922 -3.304 -7.108 111 HG12 VAL 12 2HG1 VAL 12 1.647 -2.677 -6.061 112 HG13 VAL 12 3HG1 VAL 12 3.034 -3.511 -5.360 113 HG21 VAL 12 3HG2 VAL 12 2.914 -0.279 -7.708 114 HG22 VAL 12 1HG2 VAL 12 2.766 0.512 -6.138 115 HG23 VAL 12 2HG2 VAL 12 1.570 -0.685 -6.640 116 H GLY 13 H GLY 13 3.024 1.029 -3.502 117 HA2 GLY 13 2HA GLY 13 5.548 2.394 -4.322 118 HA3 GLY 13 1HA GLY 13 4.036 3.220 -3.935 119 H LYS 14 H LYS 14 3.269 2.849 -1.601 120 HA LYS 14 HA LYS 14 5.068 3.869 0.260 121 HB2 LYS 14 2HB LYS 14 2.437 3.080 0.165 122 HB3 LYS 14 1HB LYS 14 3.115 1.947 1.334 123 HG2 LYS 14 2HG LYS 14 3.284 4.973 1.445 124 HG3 LYS 14 1HG LYS 14 2.342 3.934 2.515 125 HD2 LYS 14 2HD LYS 14 4.200 3.206 3.674 126 HD3 LYS 14 1HD LYS 14 5.268 3.385 2.284 127 HE2 LYS 14 2HE LYS 14 5.939 5.171 3.673 128 HE3 LYS 14 1HE LYS 14 4.774 5.959 2.588 129 HZ1 LYS 14 3HZ LYS 14 4.423 6.254 5.086 130 HZ2 LYS 14 1HZ LYS 14 3.910 4.638 5.088 131 HZ3 LYS 14 2HZ LYS 14 3.078 5.791 4.158 132 H THR 15 H THR 15 4.223 0.407 -0.190 133 HA THR 15 HA THR 15 5.986 -0.633 1.765 134 HB THR 15 HB THR 15 5.322 -1.975 -0.858 135 HG1 THR 15 1HG THR 15 3.586 -1.680 1.360 136 HG21 THR 15 3HG2 THR 15 4.859 -3.381 1.663 137 HG22 THR 15 1HG2 THR 15 6.528 -2.841 1.486 138 HG23 THR 15 2HG2 THR 15 5.802 -3.879 0.258 139 H ILE 16 H ILE 16 6.469 -0.069 -1.731 140 HA ILE 16 HA ILE 16 9.101 -1.030 -1.944 141 HB ILE 16 HB ILE 16 7.211 0.378 -3.486 142 HG12 ILE 16 2HG1 ILE 16 8.729 -0.206 -5.354 143 HG13 ILE 16 1HG1 ILE 16 10.010 -0.550 -4.191 144 HG21 ILE 16 1HG2 ILE 16 8.274 2.261 -4.428 145 HG22 ILE 16 2HG2 ILE 16 9.853 1.803 -3.791 146 HG23 ILE 16 3HG2 ILE 16 8.616 2.435 -2.704 147 HD11 ILE 16 3HD1 ILE 16 7.462 -1.915 -3.616 148 HD12 ILE 16 1HD1 ILE 16 9.108 -2.550 -3.602 149 HD13 ILE 16 2HD1 ILE 16 8.227 -2.415 -5.125 150 H HIS 17 H HIS 17 7.821 1.937 -0.691 151 HA HIS 17 HA HIS 17 10.231 3.411 -0.427 152 HB2 HIS 17 2HB HIS 17 7.449 3.605 0.209 153 HB3 HIS 17 1HB HIS 17 8.368 4.024 1.656 154 HD1 HIS 17 1HD HIS 17 10.808 5.385 0.409 155 HD2 HIS 17 2HD HIS 17 6.900 6.122 -0.845 156 HE1 HIS 17 1HE HIS 17 10.831 7.656 -0.713 157 H ARG 18 H ARG 18 8.349 1.736 2.120 158 HA ARG 18 HA ARG 18 10.453 1.803 4.039 159 HB2 ARG 18 2HB ARG 18 8.049 -0.015 3.803 160 HB3 ARG 18 1HB ARG 18 8.964 0.301 5.279 161 HG2 ARG 18 2HG ARG 18 8.321 2.841 4.294 162 HG3 ARG 18 1HG ARG 18 6.857 1.888 4.053 163 HD2 ARG 18 2HD ARG 18 8.347 1.807 6.684 164 HD3 ARG 18 1HD ARG 18 7.115 3.040 6.353 165 HE ARG 18 HE ARG 18 6.576 0.249 6.868 166 HH11 ARG 18 1HH1 ARG 18 4.529 2.277 7.396 167 HH12 ARG 18 2HH1 ARG 18 3.398 2.052 6.104 168 HH21 ARG 18 1HH2 ARG 18 5.605 0.240 4.136 169 HH22 ARG 18 2HH2 ARG 18 4.008 0.897 4.257 170 H LEU 19 H LEU 19 9.948 -0.141 1.294 171 HA LEU 19 HA LEU 19 11.067 -2.609 2.111 172 HB2 LEU 19 2HB LEU 19 10.116 -2.820 0.041 173 HB3 LEU 19 1HB LEU 19 10.425 -1.134 -0.358 174 HG LEU 19 HG LEU 19 12.769 -1.660 -0.852 175 HD11 LEU 19 1HD1 LEU 19 12.690 -4.501 -0.978 176 HD12 LEU 19 2HD1 LEU 19 12.131 -4.036 0.628 177 HD13 LEU 19 3HD1 LEU 19 13.707 -3.495 0.052 178 HD21 LEU 19 3HD2 LEU 19 11.424 -1.828 -2.782 179 HD22 LEU 19 1HD2 LEU 19 10.610 -3.279 -2.197 180 HD23 LEU 19 2HD2 LEU 19 12.280 -3.369 -2.757 181 H VAL 20 H VAL 20 12.520 0.274 0.734 182 HA VAL 20 HA VAL 20 15.226 -0.730 0.910 183 HB VAL 20 HB VAL 20 14.712 0.813 -0.843 184 HG11 VAL 20 1HG1 VAL 20 13.406 2.359 1.388 185 HG12 VAL 20 2HG1 VAL 20 12.733 1.893 -0.174 186 HG13 VAL 20 3HG1 VAL 20 13.923 3.191 -0.078 187 HG21 VAL 20 3HG2 VAL 20 16.139 2.249 1.407 188 HG22 VAL 20 1HG2 VAL 20 16.162 2.766 -0.280 189 HG23 VAL 20 2HG2 VAL 20 16.886 1.225 0.181 190 H THR 21 H THR 21 13.030 0.646 3.075 191 HA THR 21 HA THR 21 14.246 2.373 4.778 192 HB THR 21 HB THR 21 12.045 1.046 4.965 193 HG1 THR 21 1HG THR 21 13.704 1.658 7.170 194 HG21 THR 21 3HG2 THR 21 13.252 -1.175 5.035 195 HG22 THR 21 1HG2 THR 21 12.074 -0.940 6.328 196 HG23 THR 21 2HG2 THR 21 13.797 -0.751 6.658 197 H GLY 22 H GLY 22 15.190 -0.948 4.308 198 HA2 GLY 22 1HA GLY 22 16.897 -2.243 5.300 199 HA3 GLY 22 2HA GLY 22 17.839 -0.779 5.025 Start of MODEL 11 1 H1 PHE 1 1HT PHE 1 1.532 5.457 -15.680 2 H2 PHE 1 2HT PHE 1 1.419 5.055 -17.326 3 H3 PHE 1 3HT PHE 1 2.153 6.512 -16.853 4 HA PHE 1 HA PHE 1 3.219 3.855 -16.060 5 HB2 PHE 1 2HB PHE 1 3.019 4.119 -18.526 6 HB3 PHE 1 1HB PHE 1 3.918 5.633 -18.420 7 HD1 PHE 1 1HD PHE 1 4.162 2.002 -17.541 8 HD2 PHE 1 2HD PHE 1 6.264 5.621 -18.504 9 HE1 PHE 1 1HE PHE 1 6.297 0.741 -17.612 10 HE2 PHE 1 2HE PHE 1 8.400 4.362 -18.575 11 HZ PHE 1 HZ PHE 1 8.416 1.922 -18.128 12 H PHE 2 H PHE 2 4.086 7.220 -16.975 13 HA PHE 2 HA PHE 2 6.304 7.187 -15.015 14 HB2 PHE 2 2HB PHE 2 5.646 8.452 -17.491 15 HB3 PHE 2 1HB PHE 2 5.885 9.719 -16.287 16 HD1 PHE 2 1HD PHE 2 8.010 9.710 -14.898 17 HD2 PHE 2 2HD PHE 2 7.485 7.221 -18.359 18 HE1 PHE 2 1HE PHE 2 10.463 9.377 -15.030 19 HE2 PHE 2 2HE PHE 2 9.938 6.887 -18.490 20 HZ PHE 2 HZ PHE 2 11.428 7.966 -16.826 21 H HIS 3 H HIS 3 3.040 7.768 -14.841 22 HA HIS 3 HA HIS 3 1.675 9.096 -13.424 23 HB2 HIS 3 2HB HIS 3 4.126 8.243 -11.895 24 HB3 HIS 3 1HB HIS 3 2.870 9.187 -11.095 25 HD1 HIS 3 1HD HIS 3 0.920 7.895 -10.215 26 HD2 HIS 3 2HD HIS 3 2.988 5.761 -13.138 27 HE1 HIS 3 1HE HIS 3 -0.154 5.604 -10.323 28 H HIS 4 H HIS 4 2.597 10.908 -15.106 29 HA HIS 4 HA HIS 4 4.457 12.850 -14.523 30 HB2 HIS 4 2HB HIS 4 1.874 12.651 -15.878 31 HB3 HIS 4 1HB HIS 4 2.192 14.282 -15.292 32 HD1 HIS 4 1HD HIS 4 2.466 14.882 -17.910 33 HD2 HIS 4 2HD HIS 4 5.409 12.406 -16.301 34 HE1 HIS 4 1HE HIS 4 4.401 14.917 -19.543 35 H ILE 5 H ILE 5 1.050 13.290 -13.523 36 HA ILE 5 HA ILE 5 1.439 15.367 -11.678 37 HB ILE 5 HB ILE 5 -0.703 14.376 -12.586 38 HG12 ILE 5 2HG1 ILE 5 -0.915 14.407 -9.594 39 HG13 ILE 5 1HG1 ILE 5 -0.371 15.868 -10.419 40 HG21 ILE 5 1HG2 ILE 5 -1.493 12.334 -11.889 41 HG22 ILE 5 2HG2 ILE 5 -0.742 12.469 -10.299 42 HG23 ILE 5 3HG2 ILE 5 0.230 12.015 -11.699 43 HD11 ILE 5 3HD1 ILE 5 -2.384 16.052 -11.659 44 HD12 ILE 5 1HD1 ILE 5 -2.907 15.622 -10.031 45 HD13 ILE 5 2HD1 ILE 5 -2.855 14.392 -11.294 46 H PHE 6 H PHE 6 0.986 14.991 -9.184 47 HA PHE 6 HA PHE 6 3.222 13.437 -8.130 48 HB2 PHE 6 2HB PHE 6 2.038 15.705 -7.405 49 HB3 PHE 6 1HB PHE 6 1.033 14.613 -6.452 50 HD1 PHE 6 2HD PHE 6 2.187 12.951 -4.887 51 HD2 PHE 6 1HD PHE 6 4.221 16.275 -6.694 52 HE1 PHE 6 2HE PHE 6 3.985 12.773 -3.190 53 HE2 PHE 6 1HE PHE 6 6.019 16.097 -4.996 54 HZ PHE 6 HZ PHE 6 5.901 14.346 -3.244 55 H ARG 7 H ARG 7 -0.331 13.160 -8.081 56 HA ARG 7 HA ARG 7 -0.777 11.114 -6.272 57 HB2 ARG 7 2HB ARG 7 -2.204 12.413 -8.157 58 HB3 ARG 7 1HB ARG 7 -2.047 10.844 -8.949 59 HG2 ARG 7 2HG ARG 7 -4.083 10.917 -7.562 60 HG3 ARG 7 1HG ARG 7 -2.937 9.735 -6.927 61 HD2 ARG 7 2HD ARG 7 -2.252 11.207 -5.159 62 HD3 ARG 7 1HD ARG 7 -3.087 12.587 -5.899 63 HE ARG 7 HE ARG 7 -5.152 10.865 -5.613 64 HH11 ARG 7 1HH1 ARG 7 -2.604 10.368 -3.521 65 HH12 ARG 7 2HH1 ARG 7 -3.491 10.679 -2.067 66 HH21 ARG 7 1HH2 ARG 7 -6.304 11.852 -3.718 67 HH22 ARG 7 2HH2 ARG 7 -5.585 11.519 -2.178 68 2HA UVR 8 2HA UVR 8 2.584 7.946 -7.170 69 1HA UVR 8 1HA UVR 8 1.410 7.752 -8.478 70 1HB UVR 8 1HB UVR 8 0.824 10.585 -5.329 71 2HB UVR 8 2HB UVR 8 1.931 9.694 -5.724 72 1HG UVR 8 1HG UVR 8 1.071 7.643 -4.382 73 2HG UVR 8 2HG UVR 8 2.569 8.603 -4.424 74 1HD UVR 8 1HD UVR 8 1.748 10.157 -2.773 75 2HD UVR 8 2HD UVR 8 0.055 9.628 -2.925 76 1HE UVR 8 1HE UVR 8 2.114 8.565 -1.027 77 2HE UVR 8 2HE UVR 8 2.229 7.964 -2.365 78 2HZ UVR 8 2HZ UVR 8 1.508 6.390 -2.598 79 1HZ UVR 8 1HZ UVR 8 1.205 6.386 -0.991 80 H ILE 9 H ILE 9 2.644 5.660 -7.410 81 HA ILE 9 HA ILE 9 0.791 3.673 -6.928 82 HB ILE 9 HB ILE 9 2.832 2.591 -5.644 83 HG12 ILE 9 2HG1 ILE 9 4.935 3.655 -6.009 84 HG13 ILE 9 1HG1 ILE 9 4.225 4.876 -7.059 85 HG21 ILE 9 1HG2 ILE 9 2.865 3.454 -8.546 86 HG22 ILE 9 2HG2 ILE 9 2.165 1.973 -7.894 87 HG23 ILE 9 3HG2 ILE 9 3.913 2.209 -7.867 88 HD11 ILE 9 3HD1 ILE 9 4.744 5.666 -4.709 89 HD12 ILE 9 1HD1 ILE 9 3.490 4.565 -4.143 90 HD13 ILE 9 2HD1 ILE 9 3.070 5.898 -5.211 91 H VAL 10 H VAL 10 -0.236 2.747 -5.148 92 HA VAL 10 HA VAL 10 -0.162 4.371 -2.638 93 HB VAL 10 HB VAL 10 -2.192 2.552 -3.953 94 HG11 VAL 10 1HG1 VAL 10 -3.634 3.330 -1.947 95 HG12 VAL 10 2HG1 VAL 10 -2.098 3.687 -1.157 96 HG13 VAL 10 3HG1 VAL 10 -2.469 2.037 -1.660 97 HG21 VAL 10 3HG2 VAL 10 -2.749 4.550 -4.865 98 HG22 VAL 10 1HG2 VAL 10 -1.711 5.435 -3.747 99 HG23 VAL 10 2HG2 VAL 10 -3.344 4.983 -3.262 100 H HIS 11 H HIS 11 -0.952 0.961 -3.386 101 HA HIS 11 HA HIS 11 0.227 0.082 -0.837 102 HB2 HIS 11 2HB HIS 11 -1.624 -0.843 -2.890 103 HB3 HIS 11 1HB HIS 11 -0.511 -2.119 -2.401 104 HD1 HIS 11 1HD HIS 11 -1.467 -3.452 -0.536 105 HD2 HIS 11 2HD HIS 11 -2.554 0.562 -0.246 106 HE1 HIS 11 1HE HIS 11 -2.877 -3.241 1.557 107 H VAL 12 H VAL 12 0.752 -0.764 -4.290 108 HA VAL 12 HA VAL 12 3.119 -2.313 -3.818 109 HB VAL 12 HB VAL 12 3.374 -1.959 -6.312 110 HG11 VAL 12 1HG1 VAL 12 1.814 -3.575 -6.626 111 HG12 VAL 12 2HG1 VAL 12 0.507 -2.543 -6.048 112 HG13 VAL 12 3HG1 VAL 12 1.511 -3.424 -4.896 113 HG21 VAL 12 3HG2 VAL 12 1.580 0.234 -5.644 114 HG22 VAL 12 1HG2 VAL 12 0.900 -0.789 -6.910 115 HG23 VAL 12 2HG2 VAL 12 2.486 -0.051 -7.130 116 H GLY 13 H GLY 13 2.647 1.012 -3.550 117 HA2 GLY 13 2HA GLY 13 5.428 1.675 -4.353 118 HA3 GLY 13 1HA GLY 13 4.166 2.847 -3.972 119 H LYS 14 H LYS 14 3.291 2.403 -1.563 120 HA LYS 14 HA LYS 14 5.101 3.311 0.293 121 HB2 LYS 14 2HB LYS 14 2.550 2.656 0.364 122 HB3 LYS 14 1HB LYS 14 3.157 1.155 1.065 123 HG2 LYS 14 2HG LYS 14 2.754 2.556 2.934 124 HG3 LYS 14 1HG LYS 14 4.496 2.664 2.673 125 HD2 LYS 14 2HD LYS 14 4.330 4.799 1.665 126 HD3 LYS 14 1HD LYS 14 2.595 4.630 1.397 127 HE2 LYS 14 2HE LYS 14 3.616 4.521 4.219 128 HE3 LYS 14 1HE LYS 14 3.466 6.099 3.420 129 HZ1 LYS 14 3HZ LYS 14 1.403 5.152 4.583 130 HZ2 LYS 14 1HZ LYS 14 1.300 4.097 3.258 131 HZ3 LYS 14 2HZ LYS 14 1.217 5.777 3.014 132 H THR 15 H THR 15 4.635 -0.095 -0.657 133 HA THR 15 HA THR 15 6.319 -1.314 1.254 134 HB THR 15 HB THR 15 6.212 -2.228 -1.603 135 HG1 THR 15 1HG THR 15 4.022 -2.323 0.193 136 HG21 THR 15 3HG2 THR 15 6.934 -3.376 0.824 137 HG22 THR 15 1HG2 THR 15 6.595 -4.248 -0.672 138 HG23 THR 15 2HG2 THR 15 5.319 -4.018 0.525 139 H ILE 16 H ILE 16 7.056 -0.020 -1.985 140 HA ILE 16 HA ILE 16 9.798 -0.615 -2.072 141 HB ILE 16 HB ILE 16 7.864 0.834 -3.522 142 HG12 ILE 16 2HG1 ILE 16 9.670 0.838 -5.283 143 HG13 ILE 16 1HG1 ILE 16 10.783 0.232 -4.057 144 HG21 ILE 16 1HG2 ILE 16 9.331 2.827 -4.226 145 HG22 ILE 16 2HG2 ILE 16 10.210 2.567 -2.720 146 HG23 ILE 16 3HG2 ILE 16 8.493 2.966 -2.681 147 HD11 ILE 16 3HD1 ILE 16 9.279 -1.379 -5.659 148 HD12 ILE 16 1HD1 ILE 16 8.219 -1.231 -4.257 149 HD13 ILE 16 2HD1 ILE 16 9.859 -1.852 -4.061 150 H HIS 17 H HIS 17 8.221 2.323 -0.956 151 HA HIS 17 HA HIS 17 10.337 3.820 0.006 152 HB2 HIS 17 2HB HIS 17 7.495 3.554 0.411 153 HB3 HIS 17 1HB HIS 17 8.269 3.890 1.959 154 HD1 HIS 17 1HD HIS 17 10.447 5.801 1.336 155 HD2 HIS 17 2HD HIS 17 6.768 6.016 -0.613 156 HE1 HIS 17 1HE HIS 17 10.242 8.165 0.453 157 H ARG 18 H ARG 18 8.635 1.182 1.701 158 HA ARG 18 HA ARG 18 10.422 1.268 3.966 159 HB2 ARG 18 2HB ARG 18 8.377 -0.777 3.097 160 HB3 ARG 18 1HB ARG 18 9.063 -0.621 4.717 161 HG2 ARG 18 2HG ARG 18 8.039 1.932 3.859 162 HG3 ARG 18 1HG ARG 18 6.783 0.705 3.683 163 HD2 ARG 18 2HD ARG 18 6.441 0.808 5.919 164 HD3 ARG 18 1HD ARG 18 8.092 0.203 6.166 165 HE ARG 18 HE ARG 18 8.864 2.577 6.052 166 HH11 ARG 18 1HH1 ARG 18 6.164 3.522 4.894 167 HH12 ARG 18 2HH1 ARG 18 5.510 4.358 6.264 168 HH21 ARG 18 1HH2 ARG 18 7.746 2.964 8.518 169 HH22 ARG 18 2HH2 ARG 18 6.405 4.041 8.315 170 H LEU 19 H LEU 19 10.401 -0.306 0.904 171 HA LEU 19 HA LEU 19 11.780 -2.681 1.334 172 HB2 LEU 19 2HB LEU 19 12.270 -2.556 -0.948 173 HB3 LEU 19 1HB LEU 19 10.961 -1.383 -0.826 174 HG LEU 19 HG LEU 19 12.909 0.319 -0.342 175 HD11 LEU 19 1HD1 LEU 19 15.039 -0.313 -0.850 176 HD12 LEU 19 2HD1 LEU 19 14.520 -1.331 -2.194 177 HD13 LEU 19 3HD1 LEU 19 14.430 -1.939 -0.540 178 HD21 LEU 19 3HD2 LEU 19 11.860 0.885 -2.290 179 HD22 LEU 19 1HD2 LEU 19 11.800 -0.784 -2.855 180 HD23 LEU 19 2HD2 LEU 19 13.279 0.160 -3.045 181 H VAL 20 H VAL 20 12.899 0.583 1.566 182 HA VAL 20 HA VAL 20 15.641 -0.312 2.170 183 HB VAL 20 HB VAL 20 15.606 1.339 0.457 184 HG11 VAL 20 1HG1 VAL 20 13.546 2.691 2.213 185 HG12 VAL 20 2HG1 VAL 20 13.345 2.105 0.561 186 HG13 VAL 20 3HG1 VAL 20 14.341 3.526 0.879 187 HG21 VAL 20 3HG2 VAL 20 16.026 2.748 3.107 188 HG22 VAL 20 1HG2 VAL 20 16.598 3.334 1.546 189 HG23 VAL 20 2HG2 VAL 20 17.245 1.837 2.216 190 H THR 21 H THR 21 12.780 0.902 3.554 191 HA THR 21 HA THR 21 14.161 1.403 6.120 192 HB THR 21 HB THR 21 11.573 2.727 5.594 193 HG1 THR 21 1HG THR 21 13.908 3.180 4.081 194 HG21 THR 21 3HG2 THR 21 12.435 3.741 7.422 195 HG22 THR 21 1HG2 THR 21 13.473 4.611 6.292 196 HG23 THR 21 2HG2 THR 21 14.061 3.148 7.084 197 H GLY 22 H GLY 22 13.122 -1.151 5.321 198 HA2 GLY 22 1HA GLY 22 10.541 -1.845 5.973 199 HA3 GLY 22 2HA GLY 22 11.915 -2.856 6.416 Start of MODEL 12 1 H1 PHE 1 1HT PHE 1 -7.652 -2.522 -7.038 2 H2 PHE 1 2HT PHE 1 -6.035 -2.159 -7.411 3 H3 PHE 1 3HT PHE 1 -6.399 -3.165 -6.091 4 HA PHE 1 HA PHE 1 -6.804 -4.987 -7.386 5 HB2 PHE 1 2HB PHE 1 -8.016 -2.827 -8.981 6 HB3 PHE 1 1HB PHE 1 -7.381 -4.155 -9.952 7 HD1 PHE 1 1HD PHE 1 -8.237 -6.449 -9.675 8 HD2 PHE 1 2HD PHE 1 -9.871 -3.158 -7.450 9 HE1 PHE 1 1HE PHE 1 -10.200 -7.836 -9.066 10 HE2 PHE 1 2HE PHE 1 -11.835 -4.544 -6.841 11 HZ PHE 1 HZ PHE 1 -11.999 -6.884 -7.649 12 H PHE 2 H PHE 2 -5.944 -5.395 -10.032 13 HA PHE 2 HA PHE 2 -3.041 -5.025 -9.723 14 HB2 PHE 2 2HB PHE 2 -4.932 -6.510 -11.532 15 HB3 PHE 2 1HB PHE 2 -3.238 -6.341 -11.996 16 HD1 PHE 2 1HD PHE 2 -1.847 -6.436 -9.416 17 HD2 PHE 2 2HD PHE 2 -5.187 -8.743 -10.821 18 HE1 PHE 2 1HE PHE 2 -1.234 -8.269 -7.862 19 HE2 PHE 2 2HE PHE 2 -4.574 -10.575 -9.268 20 HZ PHE 2 HZ PHE 2 -2.597 -10.338 -7.788 21 H HIS 3 H HIS 3 -4.446 -4.914 -12.918 22 HA HIS 3 HA HIS 3 -3.606 -2.043 -13.170 23 HB2 HIS 3 2HB HIS 3 -2.037 -3.815 -14.105 24 HB3 HIS 3 1HB HIS 3 -3.312 -4.224 -15.252 25 HD1 HIS 3 1HD HIS 3 -2.261 -0.757 -14.083 26 HD2 HIS 3 2HD HIS 3 -2.373 -3.027 -17.579 27 HE1 HIS 3 1HE HIS 3 -1.592 0.796 -15.968 28 H HIS 4 H HIS 4 -5.861 -4.586 -14.075 29 HA HIS 4 HA HIS 4 -7.304 -3.608 -16.197 30 HB2 HIS 4 2HB HIS 4 -7.727 -5.274 -13.890 31 HB3 HIS 4 1HB HIS 4 -9.187 -4.335 -14.195 32 HD1 HIS 4 1HD HIS 4 -10.707 -5.297 -15.917 33 HD2 HIS 4 2HD HIS 4 -6.775 -6.569 -16.469 34 HE1 HIS 4 1HE HIS 4 -10.746 -6.924 -17.857 35 H ILE 5 H ILE 5 -8.659 -2.930 -12.979 36 HA ILE 5 HA ILE 5 -9.962 -0.515 -13.880 37 HB ILE 5 HB ILE 5 -9.445 -1.859 -11.219 38 HG12 ILE 5 2HG1 ILE 5 -10.992 -2.906 -12.921 39 HG13 ILE 5 1HG1 ILE 5 -11.771 -2.501 -11.391 40 HG21 ILE 5 1HG2 ILE 5 -11.319 0.466 -11.700 41 HG22 ILE 5 2HG2 ILE 5 -9.696 0.666 -11.042 42 HG23 ILE 5 3HG2 ILE 5 -10.894 -0.278 -10.158 43 HD11 ILE 5 3HD1 ILE 5 -12.586 -0.380 -12.380 44 HD12 ILE 5 1HD1 ILE 5 -13.174 -1.781 -13.274 45 HD13 ILE 5 2HD1 ILE 5 -11.841 -0.822 -13.917 46 H PHE 6 H PHE 6 -9.296 1.617 -13.627 47 HA PHE 6 HA PHE 6 -6.490 2.181 -13.183 48 HB2 PHE 6 2HB PHE 6 -8.255 3.367 -14.644 49 HB3 PHE 6 1HB PHE 6 -8.797 4.137 -13.152 50 HD1 PHE 6 1HD PHE 6 -5.700 3.514 -15.167 51 HD2 PHE 6 2HD PHE 6 -7.739 6.086 -12.396 52 HE1 PHE 6 1HE PHE 6 -3.866 5.173 -15.356 53 HE2 PHE 6 2HE PHE 6 -5.905 7.745 -12.585 54 HZ PHE 6 HZ PHE 6 -3.968 7.288 -14.065 55 H ARG 7 H ARG 7 -6.415 1.156 -10.939 56 HA ARG 7 HA ARG 7 -7.644 2.828 -8.801 57 HB2 ARG 7 2HB ARG 7 -6.301 0.123 -8.958 58 HB3 ARG 7 1HB ARG 7 -6.674 0.881 -7.410 59 HG2 ARG 7 2HG ARG 7 -8.633 0.134 -9.596 60 HG3 ARG 7 1HG ARG 7 -8.523 -0.564 -7.980 61 HD2 ARG 7 2HD ARG 7 -9.012 1.763 -7.060 62 HD3 ARG 7 1HD ARG 7 -9.413 2.238 -8.723 63 HE ARG 7 HE ARG 7 -10.716 -0.237 -7.854 64 HH11 ARG 7 1HH1 ARG 7 -11.676 1.800 -5.919 65 HH12 ARG 7 2HH1 ARG 7 -13.029 2.498 -6.744 66 HH21 ARG 7 1HH2 ARG 7 -12.110 1.260 -9.851 67 HH22 ARG 7 2HH2 ARG 7 -13.276 2.192 -8.970 68 2HA UVR 8 2HA UVR 8 -4.266 4.450 -5.906 69 1HA UVR 8 1HA UVR 8 -3.698 4.597 -7.574 70 1HB UVR 8 1HB UVR 8 -7.370 3.706 -6.764 71 2HB UVR 8 2HB UVR 8 -6.144 4.181 -6.092 72 1HG UVR 8 1HG UVR 8 -5.879 2.015 -4.649 73 2HG UVR 8 2HG UVR 8 -5.964 3.765 -4.332 74 1HD UVR 8 1HD UVR 8 -8.400 3.722 -4.275 75 2HD UVR 8 2HD UVR 8 -8.500 2.066 -4.920 76 1HE UVR 8 1HE UVR 8 -8.401 2.832 -2.058 77 2HE UVR 8 2HE UVR 8 -7.067 2.931 -2.669 78 2HZ UVR 8 2HZ UVR 8 -6.212 1.016 -3.074 79 1HZ UVR 8 1HZ UVR 8 -6.380 1.604 -1.557 80 H ILE 9 H ILE 9 -1.643 4.169 -7.354 81 HA ILE 9 HA ILE 9 -0.672 1.460 -6.697 82 HB ILE 9 HB ILE 9 -0.108 3.081 -8.688 83 HG12 ILE 9 2HG1 ILE 9 2.171 2.058 -8.822 84 HG13 ILE 9 1HG1 ILE 9 1.975 1.504 -7.157 85 HG21 ILE 9 1HG2 ILE 9 0.685 4.783 -6.779 86 HG22 ILE 9 2HG2 ILE 9 1.459 4.734 -8.363 87 HG23 ILE 9 3HG2 ILE 9 2.201 3.909 -6.993 88 HD11 ILE 9 3HD1 ILE 9 -0.385 0.788 -8.577 89 HD12 ILE 9 1HD1 ILE 9 0.837 -0.288 -7.897 90 HD13 ILE 9 2HD1 ILE 9 0.994 0.284 -9.558 91 H VAL 10 H VAL 10 -1.591 2.775 -4.365 92 HA VAL 10 HA VAL 10 0.644 4.066 -2.988 93 HB VAL 10 HB VAL 10 -2.023 2.961 -2.052 94 HG11 VAL 10 1HG1 VAL 10 -1.392 4.974 -0.339 95 HG12 VAL 10 2HG1 VAL 10 0.219 4.348 -0.693 96 HG13 VAL 10 3HG1 VAL 10 -1.015 3.279 -0.024 97 HG21 VAL 10 3HG2 VAL 10 -2.677 4.670 -3.451 98 HG22 VAL 10 1HG2 VAL 10 -1.129 5.506 -3.323 99 HG23 VAL 10 2HG2 VAL 10 -2.311 5.635 -2.020 100 H HIS 11 H HIS 11 -1.165 1.027 -2.372 101 HA HIS 11 HA HIS 11 0.634 -0.056 -0.460 102 HB2 HIS 11 2HB HIS 11 -1.639 -0.848 -2.097 103 HB3 HIS 11 1HB HIS 11 -0.497 -2.178 -1.912 104 HD1 HIS 11 1HD HIS 11 0.520 -1.706 0.923 105 HD2 HIS 11 2HD HIS 11 -3.505 -1.391 -0.118 106 HE1 HIS 11 1HE HIS 11 -0.801 -2.032 3.060 107 H VAL 12 H VAL 12 0.539 -0.443 -4.011 108 HA VAL 12 HA VAL 12 2.790 -2.247 -4.132 109 HB VAL 12 HB VAL 12 1.866 -0.411 -6.339 110 HG11 VAL 12 1HG1 VAL 12 3.626 -1.867 -6.990 111 HG12 VAL 12 2HG1 VAL 12 2.154 -2.630 -7.591 112 HG13 VAL 12 3HG1 VAL 12 2.921 -3.228 -6.120 113 HG21 VAL 12 3HG2 VAL 12 0.167 -2.394 -6.722 114 HG22 VAL 12 1HG2 VAL 12 -0.248 -1.093 -5.606 115 HG23 VAL 12 2HG2 VAL 12 0.353 -2.630 -4.985 116 H GLY 13 H GLY 13 2.518 1.108 -3.634 117 HA2 GLY 13 2HA GLY 13 5.298 1.598 -4.595 118 HA3 GLY 13 1HA GLY 13 4.116 2.858 -4.237 119 H LYS 14 H LYS 14 3.263 2.521 -1.787 120 HA LYS 14 HA LYS 14 5.150 3.421 -0.005 121 HB2 LYS 14 2HB LYS 14 2.541 2.699 0.086 122 HB3 LYS 14 1HB LYS 14 3.244 1.397 1.045 123 HG2 LYS 14 2HG LYS 14 4.040 4.246 1.581 124 HG3 LYS 14 1HG LYS 14 2.531 3.613 2.244 125 HD2 LYS 14 2HD LYS 14 4.679 1.714 2.643 126 HD3 LYS 14 1HD LYS 14 5.116 3.286 3.314 127 HE2 LYS 14 2HE LYS 14 2.448 2.967 4.078 128 HE3 LYS 14 1HE LYS 14 3.160 1.357 4.300 129 HZ1 LYS 14 3HZ LYS 14 4.770 2.156 5.712 130 HZ2 LYS 14 1HZ LYS 14 3.460 3.141 6.143 131 HZ3 LYS 14 2HZ LYS 14 4.672 3.745 5.118 132 H THR 15 H THR 15 4.757 0.093 -1.097 133 HA THR 15 HA THR 15 6.259 -1.218 0.930 134 HB THR 15 HB THR 15 5.927 -1.845 -2.022 135 HG1 THR 15 1HG THR 15 4.055 -1.523 -0.438 136 HG21 THR 15 3HG2 THR 15 6.005 -4.145 -0.323 137 HG22 THR 15 1HG2 THR 15 7.414 -3.145 0.032 138 HG23 THR 15 2HG2 THR 15 7.120 -3.702 -1.616 139 H ILE 16 H ILE 16 7.263 0.054 -2.263 140 HA ILE 16 HA ILE 16 9.988 -0.606 -2.115 141 HB ILE 16 HB ILE 16 8.226 0.886 -3.739 142 HG12 ILE 16 2HG1 ILE 16 10.333 0.893 -5.262 143 HG13 ILE 16 1HG1 ILE 16 11.099 0.005 -3.943 144 HG21 ILE 16 1HG2 ILE 16 9.355 2.941 -4.243 145 HG22 ILE 16 2HG2 ILE 16 10.722 2.519 -3.212 146 HG23 ILE 16 3HG2 ILE 16 9.162 2.908 -2.490 147 HD11 ILE 16 3HD1 ILE 16 10.177 -1.865 -4.801 148 HD12 ILE 16 1HD1 ILE 16 9.179 -0.933 -5.917 149 HD13 ILE 16 2HD1 ILE 16 8.615 -1.240 -4.275 150 H HIS 17 H HIS 17 8.215 2.097 -0.801 151 HA HIS 17 HA HIS 17 10.332 3.686 0.150 152 HB2 HIS 17 2HB HIS 17 7.478 3.428 0.405 153 HB3 HIS 17 1HB HIS 17 8.169 3.762 1.992 154 HD1 HIS 17 1HD HIS 17 10.526 5.554 1.201 155 HD2 HIS 17 2HD HIS 17 6.693 5.991 -0.382 156 HE1 HIS 17 1HE HIS 17 10.359 7.943 0.372 157 H ARG 18 H ARG 18 8.541 1.048 1.750 158 HA ARG 18 HA ARG 18 10.145 1.151 4.125 159 HB2 ARG 18 2HB ARG 18 8.289 -0.963 3.046 160 HB3 ARG 18 1HB ARG 18 8.848 -0.841 4.717 161 HG2 ARG 18 2HG ARG 18 7.787 1.700 3.928 162 HG3 ARG 18 1HG ARG 18 6.606 0.453 3.527 163 HD2 ARG 18 2HD ARG 18 7.943 0.296 6.205 164 HD3 ARG 18 1HD ARG 18 6.664 1.503 5.972 165 HE ARG 18 HE ARG 18 5.100 -0.264 5.730 166 HH11 ARG 18 1HH1 ARG 18 7.952 -1.519 6.862 167 HH12 ARG 18 2HH1 ARG 18 7.715 -3.124 6.257 168 HH21 ARG 18 1HH2 ARG 18 4.954 -2.276 4.339 169 HH22 ARG 18 2HH2 ARG 18 6.017 -3.553 4.827 170 H LEU 19 H LEU 19 10.276 -0.591 1.124 171 HA LEU 19 HA LEU 19 11.882 -2.779 1.666 172 HB2 LEU 19 2HB LEU 19 11.396 -0.922 -0.549 173 HB3 LEU 19 1HB LEU 19 12.981 -1.693 -0.631 174 HG LEU 19 HG LEU 19 11.096 -2.947 -1.773 175 HD11 LEU 19 1HD1 LEU 19 12.723 -4.500 -1.492 176 HD12 LEU 19 2HD1 LEU 19 11.771 -5.065 -0.119 177 HD13 LEU 19 3HD1 LEU 19 13.094 -3.927 0.135 178 HD21 LEU 19 3HD2 LEU 19 10.160 -4.228 0.636 179 HD22 LEU 19 1HD2 LEU 19 9.220 -3.419 -0.619 180 HD23 LEU 19 2HD2 LEU 19 9.866 -2.492 0.735 181 H VAL 20 H VAL 20 12.786 0.575 1.455 182 HA VAL 20 HA VAL 20 15.599 0.012 2.004 183 HB VAL 20 HB VAL 20 15.147 1.674 0.342 184 HG11 VAL 20 1HG1 VAL 20 12.890 2.284 0.740 185 HG12 VAL 20 2HG1 VAL 20 13.799 3.750 1.102 186 HG13 VAL 20 3HG1 VAL 20 13.221 2.725 2.414 187 HG21 VAL 20 3HG2 VAL 20 16.979 2.286 1.812 188 HG22 VAL 20 1HG2 VAL 20 15.851 2.955 2.990 189 HG23 VAL 20 2HG2 VAL 20 16.062 3.742 1.426 190 H THR 21 H THR 21 12.777 0.758 3.775 191 HA THR 21 HA THR 21 13.447 2.386 5.865 192 HB THR 21 HB THR 21 11.962 -0.215 5.726 193 HG1 THR 21 1HG THR 21 11.356 2.154 5.135 194 HG21 THR 21 3HG2 THR 21 12.574 -0.451 7.949 195 HG22 THR 21 1HG2 THR 21 11.147 0.571 8.116 196 HG23 THR 21 2HG2 THR 21 12.757 1.286 8.190 197 H GLY 22 H GLY 22 14.802 -0.746 5.217 198 HA2 GLY 22 1HA GLY 22 16.400 -2.035 6.382 199 HA3 GLY 22 2HA GLY 22 17.208 -0.475 6.516 Start of MODEL 13 1 H1 PHE 1 1HT PHE 1 0.235 10.778 -19.764 2 H2 PHE 1 2HT PHE 1 -0.798 9.470 -19.436 3 H3 PHE 1 3HT PHE 1 0.198 9.446 -20.813 4 HA PHE 1 HA PHE 1 0.909 8.100 -18.725 5 HB2 PHE 1 2HB PHE 1 2.540 9.960 -20.470 6 HB3 PHE 1 1HB PHE 1 3.295 8.762 -19.417 7 HD1 PHE 1 1HD PHE 1 1.767 6.395 -19.558 8 HD2 PHE 1 2HD PHE 1 2.485 9.251 -22.685 9 HE1 PHE 1 1HE PHE 1 1.356 4.637 -21.259 10 HE2 PHE 1 2HE PHE 1 2.073 7.493 -24.386 11 HZ PHE 1 HZ PHE 1 1.509 5.186 -23.673 12 H PHE 2 H PHE 2 -0.355 10.171 -17.321 13 HA PHE 2 HA PHE 2 1.892 11.473 -15.821 14 HB2 PHE 2 2HB PHE 2 -1.041 12.229 -16.041 15 HB3 PHE 2 1HB PHE 2 0.223 13.182 -15.264 16 HD1 PHE 2 2HD PHE 2 2.025 14.222 -16.615 17 HD2 PHE 2 1HD PHE 2 -1.260 12.142 -18.441 18 HE1 PHE 2 2HE PHE 2 2.580 15.260 -18.799 19 HE2 PHE 2 1HE PHE 2 -0.705 13.180 -20.623 20 HZ PHE 2 HZ PHE 2 1.216 14.739 -20.802 21 H HIS 3 H HIS 3 -1.505 10.830 -14.935 22 HA HIS 3 HA HIS 3 -0.495 9.291 -12.565 23 HB2 HIS 3 2HB HIS 3 -2.022 11.696 -12.798 24 HB3 HIS 3 1HB HIS 3 -3.083 10.451 -12.139 25 HD1 HIS 3 1HD HIS 3 -2.383 12.576 -10.176 26 HD2 HIS 3 2HD HIS 3 0.095 9.278 -10.776 27 HE1 HIS 3 1HE HIS 3 -0.963 12.356 -8.089 28 H HIS 4 H HIS 4 -2.337 9.179 -15.404 29 HA HIS 4 HA HIS 4 -4.601 7.664 -14.905 30 HB2 HIS 4 2HB HIS 4 -2.787 8.221 -17.056 31 HB3 HIS 4 1HB HIS 4 -3.226 6.515 -17.123 32 HD1 HIS 4 1HD HIS 4 -4.902 9.927 -16.886 33 HD2 HIS 4 2HD HIS 4 -5.766 6.048 -18.144 34 HE1 HIS 4 1HE HIS 4 -7.190 10.017 -17.967 35 H ILE 5 H ILE 5 -1.270 6.713 -14.467 36 HA ILE 5 HA ILE 5 -1.155 3.986 -14.658 37 HB ILE 5 HB ILE 5 -0.272 5.856 -12.446 38 HG12 ILE 5 2HG1 ILE 5 0.597 6.274 -14.746 39 HG13 ILE 5 1HG1 ILE 5 1.872 5.777 -13.633 40 HG21 ILE 5 1HG2 ILE 5 1.472 3.966 -12.114 41 HG22 ILE 5 2HG2 ILE 5 0.291 2.942 -12.928 42 HG23 ILE 5 3HG2 ILE 5 -0.133 3.749 -11.420 43 HD11 ILE 5 3HD1 ILE 5 2.360 4.032 -14.962 44 HD12 ILE 5 1HD1 ILE 5 1.093 4.532 -16.082 45 HD13 ILE 5 2HD1 ILE 5 0.718 3.419 -14.765 46 H PHE 6 H PHE 6 -1.484 2.272 -12.973 47 HA PHE 6 HA PHE 6 -4.173 2.184 -12.003 48 HB2 PHE 6 2HB PHE 6 -2.172 0.420 -12.479 49 HB3 PHE 6 1HB PHE 6 -2.070 0.517 -10.720 50 HD1 PHE 6 2HD PHE 6 -4.510 0.019 -13.512 51 HD2 PHE 6 1HD PHE 6 -3.592 -0.670 -9.373 52 HE1 PHE 6 2HE PHE 6 -6.499 -1.451 -13.316 53 HE2 PHE 6 1HE PHE 6 -5.580 -2.140 -9.177 54 HZ PHE 6 HZ PHE 6 -7.034 -2.530 -11.148 55 H ARG 7 H ARG 7 -4.566 4.008 -10.639 56 HA ARG 7 HA ARG 7 -3.098 5.158 -8.622 57 HB2 ARG 7 2HB ARG 7 -5.726 5.104 -9.451 58 HB3 ARG 7 1HB ARG 7 -5.847 4.472 -7.810 59 HG2 ARG 7 2HG ARG 7 -4.088 6.577 -7.508 60 HG3 ARG 7 1HG ARG 7 -5.221 7.189 -8.714 61 HD2 ARG 7 2HD ARG 7 -6.501 5.753 -6.468 62 HD3 ARG 7 1HD ARG 7 -5.700 7.273 -6.021 63 HE ARG 7 HE ARG 7 -7.606 7.147 -8.327 64 HH11 ARG 7 1HH1 ARG 7 -8.939 7.704 -5.745 65 HH12 ARG 7 2HH1 ARG 7 -8.873 9.432 -5.643 66 HH21 ARG 7 1HH2 ARG 7 -6.415 9.746 -8.069 67 HH22 ARG 7 2HH2 ARG 7 -7.444 10.587 -6.959 68 2HA UVR 8 2HA UVR 8 -4.785 0.168 -6.856 69 1HA UVR 8 1HA UVR 8 -4.814 1.395 -5.583 70 1HB UVR 8 1HB UVR 8 -5.589 2.833 -9.289 71 2HB UVR 8 2HB UVR 8 -5.984 2.943 -7.874 72 1HG UVR 8 1HG UVR 8 -7.693 1.857 -8.991 73 2HG UVR 8 2HG UVR 8 -7.016 0.404 -8.219 74 1HD UVR 8 1HD UVR 8 -6.764 2.174 -6.135 75 2HD UVR 8 2HD UVR 8 -8.147 2.950 -6.941 76 1HE UVR 8 1HE UVR 8 -9.379 0.543 -6.811 77 2HE UVR 8 2HE UVR 8 -9.242 1.794 -6.048 78 2HZ UVR 8 2HZ UVR 8 -7.770 0.935 -4.263 79 1HZ UVR 8 1HZ UVR 8 -9.288 1.539 -4.349 80 H ILE 9 H ILE 9 -2.225 1.541 -7.837 81 HA ILE 9 HA ILE 9 -0.279 -0.268 -6.878 82 HB ILE 9 HB ILE 9 -0.306 1.302 -8.911 83 HG12 ILE 9 2HG1 ILE 9 2.194 1.517 -8.887 84 HG13 ILE 9 1HG1 ILE 9 2.175 1.048 -7.185 85 HG21 ILE 9 1HG2 ILE 9 0.891 3.202 -6.872 86 HG22 ILE 9 2HG2 ILE 9 -0.713 3.372 -7.581 87 HG23 ILE 9 3HG2 ILE 9 0.720 3.498 -8.601 88 HD11 ILE 9 3HD1 ILE 9 2.037 -0.640 -9.521 89 HD12 ILE 9 1HD1 ILE 9 0.584 -0.856 -8.542 90 HD13 ILE 9 2HD1 ILE 9 2.176 -1.108 -7.825 91 H VAL 10 H VAL 10 -1.467 2.682 -5.433 92 HA VAL 10 HA VAL 10 0.504 3.687 -3.826 93 HB VAL 10 HB VAL 10 -2.360 2.926 -3.226 94 HG11 VAL 10 1HG1 VAL 10 -1.904 4.811 -1.387 95 HG12 VAL 10 2HG1 VAL 10 -0.281 4.127 -1.450 96 HG13 VAL 10 3HG1 VAL 10 -1.654 3.101 -1.036 97 HG21 VAL 10 3HG2 VAL 10 -0.940 5.150 -4.489 98 HG22 VAL 10 1HG2 VAL 10 -2.018 5.692 -3.202 99 HG23 VAL 10 2HG2 VAL 10 -2.655 4.743 -4.546 100 H HIS 11 H HIS 11 -0.932 0.479 -3.526 101 HA HIS 11 HA HIS 11 0.138 -0.124 -0.904 102 HB2 HIS 11 2HB HIS 11 -1.774 -1.256 -2.096 103 HB3 HIS 11 1HB HIS 11 -0.597 -1.976 -3.194 104 HD1 HIS 11 1HD HIS 11 -2.232 -2.538 -0.000 105 HD2 HIS 11 2HD HIS 11 1.426 -3.607 -1.688 106 HE1 HIS 11 1HE HIS 11 -1.328 -4.446 1.399 107 H VAL 12 H VAL 12 1.250 -0.760 -4.239 108 HA VAL 12 HA VAL 12 3.663 -2.138 -3.406 109 HB VAL 12 HB VAL 12 3.169 -0.782 -6.056 110 HG11 VAL 12 1HG1 VAL 12 4.067 -3.306 -6.535 111 HG12 VAL 12 2HG1 VAL 12 4.816 -2.982 -4.973 112 HG13 VAL 12 3HG1 VAL 12 5.126 -1.910 -6.339 113 HG21 VAL 12 3HG2 VAL 12 2.001 -3.069 -6.584 114 HG22 VAL 12 1HG2 VAL 12 1.070 -1.799 -5.789 115 HG23 VAL 12 2HG2 VAL 12 1.731 -3.133 -4.843 116 H GLY 13 H GLY 13 2.713 1.134 -3.699 117 HA2 GLY 13 2HA GLY 13 5.357 2.246 -4.200 118 HA3 GLY 13 1HA GLY 13 3.933 3.157 -3.693 119 H LYS 14 H LYS 14 3.276 2.778 -1.337 120 HA LYS 14 HA LYS 14 5.158 3.611 0.489 121 HB2 LYS 14 2HB LYS 14 2.576 2.981 0.585 122 HB3 LYS 14 1HB LYS 14 3.198 1.511 1.335 123 HG2 LYS 14 2HG LYS 14 2.897 2.913 3.186 124 HG3 LYS 14 1HG LYS 14 4.600 3.169 2.802 125 HD2 LYS 14 2HD LYS 14 4.093 5.372 2.713 126 HD3 LYS 14 1HD LYS 14 3.308 5.006 1.176 127 HE2 LYS 14 2HE LYS 14 1.355 4.271 2.967 128 HE3 LYS 14 1HE LYS 14 2.090 5.666 3.780 129 HZ1 LYS 14 3HZ LYS 14 1.399 5.660 0.897 130 HZ2 LYS 14 1HZ LYS 14 1.832 6.990 1.856 131 HZ3 LYS 14 2HZ LYS 14 0.333 6.225 2.093 132 H THR 15 H THR 15 4.459 0.198 -0.341 133 HA THR 15 HA THR 15 6.228 -1.051 1.458 134 HB THR 15 HB THR 15 5.346 -1.708 -1.367 135 HG1 THR 15 1HG THR 15 3.741 -1.618 0.258 136 HG21 THR 15 3HG2 THR 15 7.477 -2.876 0.002 137 HG22 THR 15 1HG2 THR 15 6.599 -3.581 -1.357 138 HG23 THR 15 2HG2 THR 15 6.124 -3.969 0.296 139 H ILE 16 H ILE 16 6.799 0.235 -1.812 140 HA ILE 16 HA ILE 16 9.492 -0.492 -2.122 141 HB ILE 16 HB ILE 16 7.539 1.064 -3.401 142 HG12 ILE 16 2HG1 ILE 16 9.395 1.183 -5.206 143 HG13 ILE 16 1HG1 ILE 16 10.369 0.265 -4.056 144 HG21 ILE 16 1HG2 ILE 16 8.949 3.069 -4.105 145 HG22 ILE 16 2HG2 ILE 16 9.984 2.718 -2.720 146 HG23 ILE 16 3HG2 ILE 16 8.291 3.139 -2.471 147 HD11 ILE 16 3HD1 ILE 16 8.060 -0.601 -5.674 148 HD12 ILE 16 1HD1 ILE 16 8.008 -1.122 -3.990 149 HD13 ILE 16 2HD1 ILE 16 9.386 -1.553 -5.006 150 H HIS 17 H HIS 17 8.113 2.424 -0.736 151 HA HIS 17 HA HIS 17 10.399 3.798 0.061 152 HB2 HIS 17 2HB HIS 17 7.569 3.704 0.657 153 HB3 HIS 17 1HB HIS 17 8.481 4.013 2.138 154 HD1 HIS 17 1HD HIS 17 10.763 5.728 1.186 155 HD2 HIS 17 2HD HIS 17 6.875 6.237 -0.229 156 HE1 HIS 17 1HE HIS 17 10.626 8.100 0.305 157 H ARG 18 H ARG 18 8.578 1.370 1.961 158 HA ARG 18 HA ARG 18 10.557 1.272 4.046 159 HB2 ARG 18 2HB ARG 18 8.323 -0.636 3.348 160 HB3 ARG 18 1HB ARG 18 9.126 -0.499 4.914 161 HG2 ARG 18 2HG ARG 18 8.385 1.970 4.876 162 HG3 ARG 18 1HG ARG 18 7.299 1.493 3.569 163 HD2 ARG 18 2HD ARG 18 6.437 -0.346 5.126 164 HD3 ARG 18 1HD ARG 18 7.312 0.487 6.427 165 HE ARG 18 HE ARG 18 5.995 2.575 5.613 166 HH11 ARG 18 1HH1 ARG 18 4.760 -0.035 4.008 167 HH12 ARG 18 2HH1 ARG 18 3.148 0.089 4.629 168 HH21 ARG 18 1HH2 ARG 18 3.966 2.471 7.013 169 HH22 ARG 18 2HH2 ARG 18 2.698 1.507 6.331 170 H LEU 19 H LEU 19 10.148 -0.282 1.004 171 HA LEU 19 HA LEU 19 11.368 -2.754 1.253 172 HB2 LEU 19 2HB LEU 19 10.653 -1.047 -0.777 173 HB3 LEU 19 1HB LEU 19 12.407 -1.106 -0.955 174 HG LEU 19 HG LEU 19 10.916 -3.672 -0.548 175 HD11 LEU 19 1HD1 LEU 19 10.929 -1.967 -3.031 176 HD12 LEU 19 2HD1 LEU 19 9.591 -2.863 -2.310 177 HD13 LEU 19 3HD1 LEU 19 10.875 -3.726 -3.157 178 HD21 LEU 19 3HD2 LEU 19 12.981 -4.464 -0.973 179 HD22 LEU 19 1HD2 LEU 19 13.572 -2.817 -1.191 180 HD23 LEU 19 2HD2 LEU 19 12.937 -3.716 -2.569 181 H VAL 20 H VAL 20 12.917 0.387 1.052 182 HA VAL 20 HA VAL 20 15.563 -0.729 1.550 183 HB VAL 20 HB VAL 20 15.369 1.072 -0.046 184 HG11 VAL 20 1HG1 VAL 20 13.618 2.205 2.088 185 HG12 VAL 20 2HG1 VAL 20 13.420 2.242 0.335 186 HG13 VAL 20 3HG1 VAL 20 14.549 3.348 1.119 187 HG21 VAL 20 3HG2 VAL 20 16.845 2.741 0.939 188 HG22 VAL 20 1HG2 VAL 20 17.310 1.146 1.529 189 HG23 VAL 20 2HG2 VAL 20 16.382 2.231 2.563 190 H THR 21 H THR 21 12.944 0.672 3.246 191 HA THR 21 HA THR 21 14.561 0.920 5.711 192 HB THR 21 HB THR 21 11.943 2.263 5.024 193 HG1 THR 21 1HG THR 21 14.422 3.562 4.996 194 HG21 THR 21 3HG2 THR 21 12.772 2.014 7.455 195 HG22 THR 21 1HG2 THR 21 12.340 3.633 6.906 196 HG23 THR 21 2HG2 THR 21 14.035 3.158 7.001 197 H GLY 22 H GLY 22 13.626 -1.622 5.019 198 HA2 GLY 22 1HA GLY 22 11.112 -2.478 5.733 199 HA3 GLY 22 2HA GLY 22 12.557 -3.394 6.153 Start of MODEL 14 1 H1 PHE 1 1HT PHE 1 -2.278 2.960 -15.379 2 H2 PHE 1 2HT PHE 1 -1.135 1.923 -16.089 3 H3 PHE 1 3HT PHE 1 -2.233 2.778 -17.064 4 HA PHE 1 HA PHE 1 0.194 3.738 -15.717 5 HB2 PHE 1 2HB PHE 1 -1.242 4.104 -18.365 6 HB3 PHE 1 1HB PHE 1 0.263 4.926 -17.952 7 HD1 PHE 1 2HD PHE 1 -1.199 1.464 -17.896 8 HD2 PHE 1 1HD PHE 1 2.262 3.913 -18.581 9 HE1 PHE 1 2HE PHE 1 0.087 -0.545 -18.572 10 HE2 PHE 1 1HE PHE 1 3.549 1.904 -19.258 11 HZ PHE 1 HZ PHE 1 2.462 -0.324 -19.253 12 H PHE 2 H PHE 2 -1.930 5.734 -17.647 13 HA PHE 2 HA PHE 2 -2.957 7.805 -17.152 14 HB2 PHE 2 2HB PHE 2 -3.412 6.142 -14.660 15 HB3 PHE 2 1HB PHE 2 -4.193 7.700 -14.928 16 HD1 PHE 2 2HD PHE 2 -4.852 7.733 -17.735 17 HD2 PHE 2 1HD PHE 2 -4.998 4.451 -14.968 18 HE1 PHE 2 2HE PHE 2 -6.577 6.630 -19.134 19 HE2 PHE 2 1HE PHE 2 -6.723 3.348 -16.367 20 HZ PHE 2 HZ PHE 2 -7.513 4.438 -18.451 21 H HIS 3 H HIS 3 -2.834 9.711 -15.601 22 HA HIS 3 HA HIS 3 -0.284 9.724 -14.025 23 HB2 HIS 3 2HB HIS 3 -0.887 11.000 -16.499 24 HB3 HIS 3 1HB HIS 3 -0.812 12.263 -15.271 25 HD1 HIS 3 1HD HIS 3 1.249 9.149 -16.109 26 HD2 HIS 3 2HD HIS 3 1.783 13.112 -14.932 27 HE1 HIS 3 1HE HIS 3 3.750 9.520 -15.957 28 H HIS 4 H HIS 4 -3.571 10.120 -13.942 29 HA HIS 4 HA HIS 4 -4.141 12.507 -12.614 30 HB2 HIS 4 2HB HIS 4 -5.206 9.691 -12.274 31 HB3 HIS 4 1HB HIS 4 -5.994 11.113 -11.591 32 HD1 HIS 4 1HD HIS 4 -6.732 12.993 -13.389 33 HD2 HIS 4 2HD HIS 4 -5.788 9.249 -14.961 34 HE1 HIS 4 1HE HIS 4 -7.687 12.939 -15.735 35 H ILE 5 H ILE 5 -5.003 12.158 -10.087 36 HA ILE 5 HA ILE 5 -2.695 12.328 -8.448 37 HB ILE 5 HB ILE 5 -5.652 11.995 -8.099 38 HG12 ILE 5 2HG1 ILE 5 -4.531 14.195 -8.538 39 HG13 ILE 5 1HG1 ILE 5 -5.422 14.160 -7.015 40 HG21 ILE 5 1HG2 ILE 5 -4.683 10.554 -6.331 41 HG22 ILE 5 2HG2 ILE 5 -5.426 12.002 -5.650 42 HG23 ILE 5 3HG2 ILE 5 -3.671 11.898 -5.802 43 HD11 ILE 5 3HD1 ILE 5 -3.362 15.123 -6.404 44 HD12 ILE 5 1HD1 ILE 5 -2.443 14.046 -7.454 45 HD13 ILE 5 2HD1 ILE 5 -3.156 13.428 -5.965 46 H PHE 6 H PHE 6 -2.333 10.793 -6.512 47 HA PHE 6 HA PHE 6 -1.855 8.093 -7.530 48 HB2 PHE 6 2HB PHE 6 -1.288 9.714 -5.069 49 HB3 PHE 6 1HB PHE 6 -1.089 7.964 -4.993 50 HD1 PHE 6 1HD PHE 6 -0.049 7.149 -7.518 51 HD2 PHE 6 2HD PHE 6 0.777 10.759 -5.343 52 HE1 PHE 6 1HE PHE 6 2.132 7.349 -8.679 53 HE2 PHE 6 2HE PHE 6 2.959 10.959 -6.504 54 HZ PHE 6 HZ PHE 6 3.637 9.253 -8.172 55 H ARG 7 H ARG 7 -4.443 8.013 -7.763 56 HA ARG 7 HA ARG 7 -5.849 7.377 -5.262 57 HB2 ARG 7 2HB ARG 7 -7.139 8.503 -6.877 58 HB3 ARG 7 1HB ARG 7 -6.503 7.533 -8.201 59 HG2 ARG 7 2HG ARG 7 -7.681 5.543 -7.264 60 HG3 ARG 7 1HG ARG 7 -8.382 6.581 -6.020 61 HD2 ARG 7 2HD ARG 7 -8.809 7.809 -8.589 62 HD3 ARG 7 1HD ARG 7 -9.388 6.132 -8.640 63 HE ARG 7 HE ARG 7 -10.114 7.620 -6.207 64 HH11 ARG 7 1HH2 ARG 7 -11.059 8.162 -9.312 65 HH12 ARG 7 2HH2 ARG 7 -12.707 7.666 -9.118 66 HH21 ARG 7 1HH1 ARG 7 -12.203 6.299 -5.971 67 HH22 ARG 7 2HH1 ARG 7 -13.355 6.610 -7.226 68 2HA UVR 8 2HA UVR 8 -4.688 3.202 -8.780 69 1HA UVR 8 1HA UVR 8 -5.955 2.941 -7.573 70 1HB UVR 8 1HB UVR 8 -5.251 6.816 -8.692 71 2HB UVR 8 2HB UVR 8 -5.910 5.549 -9.059 72 1HG UVR 8 1HG UVR 8 -5.408 4.646 -10.543 73 2HG UVR 8 2HG UVR 8 -4.630 6.202 -10.923 74 1HD UVR 8 1HD UVR 8 -2.852 4.362 -9.395 75 2HD UVR 8 2HD UVR 8 -3.392 3.607 -10.913 76 1HE UVR 8 1HE UVR 8 -2.233 5.386 -12.289 77 2HE UVR 8 2HE UVR 8 -1.678 4.437 -11.312 78 2HZ UVR 8 2HZ UVR 8 -0.862 6.837 -10.502 79 1HZ UVR 8 1HZ UVR 8 -0.864 5.484 -9.583 80 H ILE 9 H ILE 9 -3.366 1.656 -8.307 81 HA ILE 9 HA ILE 9 -2.572 0.366 -6.000 82 HB ILE 9 HB ILE 9 -0.265 0.262 -7.290 83 HG12 ILE 9 2HG1 ILE 9 -0.362 0.903 -9.590 84 HG13 ILE 9 1HG1 ILE 9 -2.081 1.262 -9.500 85 HG21 ILE 9 1HG2 ILE 9 -2.730 -1.104 -7.422 86 HG22 ILE 9 2HG2 ILE 9 -1.149 -1.702 -7.922 87 HG23 ILE 9 3HG2 ILE 9 -2.197 -0.896 -9.090 88 HD11 ILE 9 3HD1 ILE 9 -0.920 3.367 -9.460 89 HD12 ILE 9 1HD1 ILE 9 0.191 2.794 -8.217 90 HD13 ILE 9 2HD1 ILE 9 -1.501 3.078 -7.822 91 H VAL 10 H VAL 10 -2.593 2.012 -4.275 92 HA VAL 10 HA VAL 10 -0.303 3.910 -4.270 93 HB VAL 10 HB VAL 10 -2.787 4.378 -3.638 94 HG11 VAL 10 1HG1 VAL 10 -3.558 3.716 -1.539 95 HG12 VAL 10 2HG1 VAL 10 -1.932 3.449 -0.913 96 HG13 VAL 10 3HG1 VAL 10 -2.646 2.291 -2.034 97 HG21 VAL 10 3HG2 VAL 10 -1.199 5.332 -1.370 98 HG22 VAL 10 1HG2 VAL 10 -1.945 6.247 -2.681 99 HG23 VAL 10 2HG2 VAL 10 -0.360 5.508 -2.912 100 H HIS 11 H HIS 11 -1.164 0.797 -3.100 101 HA HIS 11 HA HIS 11 0.673 0.880 -0.784 102 HB2 HIS 11 2HB HIS 11 -1.654 -0.404 -1.305 103 HB3 HIS 11 1HB HIS 11 -0.512 -1.651 -1.805 104 HD1 HIS 11 1HD HIS 11 -0.405 -3.231 0.136 105 HD2 HIS 11 2HD HIS 11 -0.204 0.746 1.363 106 HE1 HIS 11 1HE HIS 11 0.030 -3.274 2.631 107 H VAL 12 H VAL 12 0.675 -0.092 -4.137 108 HA VAL 12 HA VAL 12 2.803 -2.003 -4.072 109 HB VAL 12 HB VAL 12 2.132 -0.059 -6.290 110 HG11 VAL 12 1HG1 VAL 12 2.419 -2.601 -7.320 111 HG12 VAL 12 2HG1 VAL 12 3.602 -2.581 -6.014 112 HG13 VAL 12 3HG1 VAL 12 3.680 -1.369 -7.292 113 HG21 VAL 12 3HG2 VAL 12 0.488 -2.035 -6.886 114 HG22 VAL 12 1HG2 VAL 12 -0.018 -0.790 -5.743 115 HG23 VAL 12 2HG2 VAL 12 0.555 -2.350 -5.152 116 H GLY 13 H GLY 13 2.794 1.322 -3.454 117 HA2 GLY 13 2HA GLY 13 5.667 1.606 -4.207 118 HA3 GLY 13 1HA GLY 13 4.571 2.954 -3.898 119 H LYS 14 H LYS 14 3.403 2.225 -1.512 120 HA LYS 14 HA LYS 14 5.105 3.098 0.482 121 HB2 LYS 14 2HB LYS 14 2.573 1.762 0.212 122 HB3 LYS 14 1HB LYS 14 3.428 1.101 1.605 123 HG2 LYS 14 2HG LYS 14 3.265 4.079 1.166 124 HG3 LYS 14 1HG LYS 14 1.956 3.211 1.969 125 HD2 LYS 14 2HD LYS 14 4.261 2.230 3.194 126 HD3 LYS 14 1HD LYS 14 4.580 3.955 3.000 127 HE2 LYS 14 2HE LYS 14 3.199 4.400 4.736 128 HE3 LYS 14 1HE LYS 14 1.858 3.625 3.869 129 HZ1 LYS 14 3HZ LYS 14 2.090 2.222 5.656 130 HZ2 LYS 14 1HZ LYS 14 3.767 2.444 5.768 131 HZ3 LYS 14 2HZ LYS 14 3.121 1.468 4.537 132 H THR 15 H THR 15 4.574 -0.320 -0.468 133 HA THR 15 HA THR 15 6.291 -1.537 1.404 134 HB THR 15 HB THR 15 6.362 -2.684 -1.291 135 HG1 THR 15 1HG THR 15 3.853 -2.944 -0.737 136 HG21 THR 15 3HG2 THR 15 5.345 -4.581 -0.127 137 HG22 THR 15 1HG2 THR 15 5.009 -3.565 1.274 138 HG23 THR 15 2HG2 THR 15 6.676 -3.935 0.833 139 H ILE 16 H ILE 16 6.977 -0.301 -1.867 140 HA ILE 16 HA ILE 16 9.720 -0.898 -1.984 141 HB ILE 16 HB ILE 16 7.774 0.484 -3.454 142 HG12 ILE 16 2HG1 ILE 16 9.494 0.476 -5.231 143 HG13 ILE 16 1HG1 ILE 16 10.729 0.122 -4.023 144 HG21 ILE 16 1HG2 ILE 16 9.121 2.543 -4.155 145 HG22 ILE 16 2HG2 ILE 16 10.052 2.320 -2.674 146 HG23 ILE 16 3HG2 ILE 16 8.320 2.641 -2.587 147 HD11 ILE 16 3HD1 ILE 16 10.268 -2.067 -4.254 148 HD12 ILE 16 1HD1 ILE 16 8.934 -1.703 -5.350 149 HD13 ILE 16 2HD1 ILE 16 8.656 -1.758 -3.608 150 H HIS 17 H HIS 17 8.111 2.007 -0.842 151 HA HIS 17 HA HIS 17 10.203 3.576 0.049 152 HB2 HIS 17 2HB HIS 17 7.390 3.197 0.564 153 HB3 HIS 17 1HB HIS 17 8.213 3.566 2.079 154 HD1 HIS 17 1HD HIS 17 10.340 5.521 1.252 155 HD2 HIS 17 2HD HIS 17 6.479 5.661 -0.317 156 HE1 HIS 17 1HE HIS 17 9.999 7.880 0.397 157 H ARG 18 H ARG 18 8.632 0.911 1.828 158 HA ARG 18 HA ARG 18 10.442 1.024 4.045 159 HB2 ARG 18 2HB ARG 18 8.604 -1.167 3.071 160 HB3 ARG 18 1HB ARG 18 9.273 -1.030 4.698 161 HG2 ARG 18 2HG ARG 18 8.173 1.368 4.619 162 HG3 ARG 18 1HG ARG 18 7.159 0.636 3.375 163 HD2 ARG 18 2HD ARG 18 6.047 -0.677 4.885 164 HD3 ARG 18 1HD ARG 18 7.518 -1.003 5.824 165 HE ARG 18 HE ARG 18 6.104 1.637 5.951 166 HH11 ARG 18 1HH1 ARG 18 5.330 -0.402 8.003 167 HH12 ARG 18 2HH1 ARG 18 6.403 -0.027 9.310 168 HH21 ARG 18 1HH2 ARG 18 8.557 1.859 7.356 169 HH22 ARG 18 2HH2 ARG 18 8.228 1.253 8.945 170 H LEU 19 H LEU 19 10.595 -0.373 0.912 171 HA LEU 19 HA LEU 19 12.234 -2.612 1.277 172 HB2 LEU 19 2HB LEU 19 12.557 -2.440 -1.021 173 HB3 LEU 19 1HB LEU 19 11.177 -1.362 -0.832 174 HG LEU 19 HG LEU 19 12.977 0.492 -0.465 175 HD11 LEU 19 1HD1 LEU 19 14.619 -1.794 -0.894 176 HD12 LEU 19 2HD1 LEU 19 15.131 -0.121 -0.672 177 HD13 LEU 19 3HD1 LEU 19 14.814 -0.738 -2.293 178 HD21 LEU 19 3HD2 LEU 19 12.238 -0.849 -3.060 179 HD22 LEU 19 1HD2 LEU 19 13.283 0.571 -3.059 180 HD23 LEU 19 2HD2 LEU 19 11.650 0.676 -2.399 181 H VAL 20 H VAL 20 12.923 0.746 1.617 182 HA VAL 20 HA VAL 20 15.796 0.218 2.006 183 HB VAL 20 HB VAL 20 15.434 1.952 0.421 184 HG11 VAL 20 1HG1 VAL 20 13.090 2.363 0.695 185 HG12 VAL 20 2HG1 VAL 20 13.893 3.895 1.032 186 HG13 VAL 20 3HG1 VAL 20 13.311 2.895 2.362 187 HG21 VAL 20 3HG2 VAL 20 16.163 4.014 1.621 188 HG22 VAL 20 1HG2 VAL 20 17.088 2.590 2.102 189 HG23 VAL 20 2HG2 VAL 20 15.813 3.210 3.152 190 H THR 21 H THR 21 12.901 0.811 3.666 191 HA THR 21 HA THR 21 13.701 2.289 5.921 192 HB THR 21 HB THR 21 11.622 0.219 5.301 193 HG1 THR 21 1HG THR 21 11.563 2.528 4.730 194 HG21 THR 21 3HG2 THR 21 11.952 -0.335 7.569 195 HG22 THR 21 1HG2 THR 21 10.658 0.863 7.621 196 HG23 THR 21 2HG2 THR 21 12.312 1.332 8.017 197 H GLY 22 H GLY 22 14.652 -0.831 4.940 198 HA2 GLY 22 1HA GLY 22 15.742 -2.601 6.053 199 HA3 GLY 22 2HA GLY 22 16.632 -1.276 6.803 Start of MODEL 15 1 H1 PHE 1 1HT PHE 1 -5.353 19.470 -3.686 2 H2 PHE 1 2HT PHE 1 -5.999 19.641 -2.124 3 H3 PHE 1 3HT PHE 1 -6.768 20.376 -3.449 4 HA PHE 1 HA PHE 1 -6.507 17.441 -3.021 5 HB2 PHE 1 2HB PHE 1 -8.212 19.457 -1.940 6 HB3 PHE 1 1HB PHE 1 -9.172 18.506 -3.073 7 HD1 PHE 1 2HD PHE 1 -7.162 18.406 0.019 8 HD2 PHE 1 1HD PHE 1 -9.593 16.139 -2.701 9 HE1 PHE 1 2HE PHE 1 -7.299 16.566 1.676 10 HE2 PHE 1 1HE PHE 1 -9.730 14.298 -1.044 11 HZ PHE 1 HZ PHE 1 -8.583 14.512 1.143 12 H PHE 2 H PHE 2 -5.702 17.404 -5.306 13 HA PHE 2 HA PHE 2 -7.936 17.195 -7.196 14 HB2 PHE 2 2HB PHE 2 -6.732 18.874 -8.751 15 HB3 PHE 2 1HB PHE 2 -7.619 19.545 -7.382 16 HD1 PHE 2 1HD PHE 2 -6.389 20.248 -5.317 17 HD2 PHE 2 2HD PHE 2 -4.344 19.051 -8.899 18 HE1 PHE 2 1HE PHE 2 -4.305 21.298 -4.478 19 HE2 PHE 2 2HE PHE 2 -2.260 20.102 -8.060 20 HZ PHE 2 HZ PHE 2 -2.241 21.226 -5.850 21 H HIS 3 H HIS 3 -6.697 15.013 -6.766 22 HA HIS 3 HA HIS 3 -5.412 13.303 -7.784 23 HB2 HIS 3 2HB HIS 3 -6.013 15.278 -9.738 24 HB3 HIS 3 1HB HIS 3 -4.323 14.829 -9.972 25 HD1 HIS 3 1HD HIS 3 -5.624 13.791 -12.245 26 HD2 HIS 3 2HD HIS 3 -6.077 11.769 -8.627 27 HE1 HIS 3 1HE HIS 3 -6.384 11.446 -12.825 28 H HIS 4 H HIS 4 -3.600 16.269 -8.632 29 HA HIS 4 HA HIS 4 -1.016 15.354 -8.221 30 HB2 HIS 4 2HB HIS 4 -2.447 17.964 -7.998 31 HB3 HIS 4 1HB HIS 4 -0.780 17.902 -7.425 32 HD1 HIS 4 1HD HIS 4 0.412 19.066 -9.336 33 HD2 HIS 4 2HD HIS 4 -2.089 16.002 -10.657 34 HE1 HIS 4 1HE HIS 4 0.881 18.775 -11.807 35 H ILE 5 H ILE 5 -3.432 16.009 -5.792 36 HA ILE 5 HA ILE 5 -1.958 16.595 -3.501 37 HB ILE 5 HB ILE 5 -4.326 16.550 -3.483 38 HG12 ILE 5 2HG1 ILE 5 -4.273 14.152 -1.866 39 HG13 ILE 5 1HG1 ILE 5 -2.825 15.118 -1.576 40 HG21 ILE 5 1HG2 ILE 5 -3.976 14.187 -5.032 41 HG22 ILE 5 2HG2 ILE 5 -5.466 15.077 -4.724 42 HG23 ILE 5 3HG2 ILE 5 -4.977 13.776 -3.640 43 HD11 ILE 5 3HD1 ILE 5 -5.412 16.584 -1.730 44 HD12 ILE 5 1HD1 ILE 5 -4.010 16.881 -0.701 45 HD13 ILE 5 2HD1 ILE 5 -5.141 15.591 -0.296 46 H PHE 6 H PHE 6 -3.119 13.369 -3.126 47 HA PHE 6 HA PHE 6 -0.425 12.466 -2.382 48 HB2 PHE 6 2HB PHE 6 -3.104 11.965 -1.640 49 HB3 PHE 6 1HB PHE 6 -2.507 10.456 -2.331 50 HD1 PHE 6 1HD PHE 6 -0.878 13.186 -0.333 51 HD2 PHE 6 2HD PHE 6 -1.825 9.007 -0.633 52 HE1 PHE 6 1HE PHE 6 0.410 12.746 1.740 53 HE2 PHE 6 2HE PHE 6 -0.537 8.567 1.440 54 HZ PHE 6 HZ PHE 6 0.580 10.436 2.626 55 H ARG 7 H ARG 7 -1.172 12.988 -5.274 56 HA ARG 7 HA ARG 7 -1.697 10.921 -6.956 57 HB2 ARG 7 2HB ARG 7 -0.928 13.084 -7.714 58 HB3 ARG 7 1HB ARG 7 0.656 12.833 -6.982 59 HG2 ARG 7 2HG ARG 7 1.098 12.294 -9.204 60 HG3 ARG 7 1HG ARG 7 0.711 10.706 -8.540 61 HD2 ARG 7 2HD ARG 7 -0.664 10.744 -10.437 62 HD3 ARG 7 1HD ARG 7 -1.772 11.409 -9.220 63 HE ARG 7 HE ARG 7 -1.060 13.688 -9.989 64 HH11 ARG 7 1HH1 ARG 7 1.342 12.913 -11.571 65 HH12 ARG 7 2HH1 ARG 7 0.744 12.947 -13.196 66 HH21 ARG 7 1HH2 ARG 7 -2.593 12.884 -12.252 67 HH22 ARG 7 2HH2 ARG 7 -1.483 12.930 -13.581 68 2HA UVR 8 2HA UVR 8 1.895 8.114 -6.484 69 1HA UVR 8 1HA UVR 8 1.274 7.398 -7.978 70 1HB UVR 8 1HB UVR 8 -1.374 9.922 -8.478 71 2HB UVR 8 2HB UVR 8 -1.693 8.996 -7.374 72 1HG UVR 8 1HG UVR 8 -1.684 7.526 -9.709 73 2HG UVR 8 2HG UVR 8 -1.637 6.819 -8.076 74 1HD UVR 8 1HD UVR 8 -3.474 9.049 -7.976 75 2HD UVR 8 2HD UVR 8 -3.879 8.179 -9.474 76 1HE UVR 8 1HE UVR 8 -3.658 6.690 -6.689 77 2HE UVR 8 2HE UVR 8 -3.446 6.292 -8.090 78 2HZ UVR 8 2HZ UVR 8 -5.135 5.224 -7.776 79 1HZ UVR 8 1HZ UVR 8 -6.116 6.516 -7.987 80 H ILE 9 H ILE 9 0.842 5.377 -7.657 81 HA ILE 9 HA ILE 9 -1.110 4.168 -6.048 82 HB ILE 9 HB ILE 9 0.285 3.304 -8.038 83 HG12 ILE 9 2HG1 ILE 9 0.251 0.890 -6.891 84 HG13 ILE 9 1HG1 ILE 9 -0.653 1.765 -5.656 85 HG21 ILE 9 1HG2 ILE 9 2.283 2.036 -7.494 86 HG22 ILE 9 2HG2 ILE 9 2.074 2.371 -5.776 87 HG23 ILE 9 3HG2 ILE 9 2.483 3.679 -6.886 88 HD11 ILE 9 3HD1 ILE 9 -1.635 2.596 -8.204 89 HD12 ILE 9 1HD1 ILE 9 -2.490 1.699 -6.949 90 HD13 ILE 9 2HD1 ILE 9 -1.587 0.833 -8.192 91 H VAL 10 H VAL 10 -1.222 3.693 -3.885 92 HA VAL 10 HA VAL 10 1.223 4.097 -2.224 93 HB VAL 10 HB VAL 10 -1.672 3.774 -1.386 94 HG11 VAL 10 1HG1 VAL 10 0.891 4.466 -0.073 95 HG12 VAL 10 2HG1 VAL 10 -0.564 3.739 0.610 96 HG13 VAL 10 3HG1 VAL 10 -0.480 5.484 0.367 97 HG21 VAL 10 3HG2 VAL 10 -0.958 6.486 -1.267 98 HG22 VAL 10 1HG2 VAL 10 -2.069 5.745 -2.419 99 HG23 VAL 10 2HG2 VAL 10 -0.366 5.935 -2.834 100 H HIS 11 H HIS 11 -0.181 1.570 -3.764 101 HA HIS 11 HA HIS 11 -0.141 -0.367 -1.528 102 HB2 HIS 11 2HB HIS 11 -1.884 -0.546 -3.195 103 HB3 HIS 11 1HB HIS 11 -0.702 -0.510 -4.505 104 HD1 HIS 11 1HD HIS 11 -1.578 -2.879 -5.290 105 HD2 HIS 11 2HD HIS 11 0.155 -2.838 -1.499 106 HE1 HIS 11 1HE HIS 11 -1.145 -5.297 -4.674 107 H VAL 12 H VAL 12 1.185 -0.843 -4.786 108 HA VAL 12 HA VAL 12 3.453 -2.341 -3.790 109 HB VAL 12 HB VAL 12 4.082 -2.264 -6.219 110 HG11 VAL 12 1HG1 VAL 12 2.450 -3.783 -6.770 111 HG12 VAL 12 2HG1 VAL 12 1.141 -2.727 -6.238 112 HG13 VAL 12 3HG1 VAL 12 2.076 -3.638 -5.053 113 HG21 VAL 12 3HG2 VAL 12 1.542 -0.815 -6.814 114 HG22 VAL 12 1HG2 VAL 12 3.057 -0.843 -7.717 115 HG23 VAL 12 2HG2 VAL 12 2.910 0.156 -6.271 116 H GLY 13 H GLY 13 2.852 0.949 -3.819 117 HA2 GLY 13 2HA GLY 13 5.670 1.718 -4.339 118 HA3 GLY 13 1HA GLY 13 4.323 2.838 -4.128 119 H LYS 14 H LYS 14 3.269 2.618 -1.833 120 HA LYS 14 HA LYS 14 4.927 3.547 0.156 121 HB2 LYS 14 2HB LYS 14 2.313 2.847 -0.084 122 HB3 LYS 14 1HB LYS 14 2.870 1.595 1.027 123 HG2 LYS 14 2HG LYS 14 3.388 4.554 1.432 124 HG3 LYS 14 1HG LYS 14 2.040 3.685 2.169 125 HD2 LYS 14 2HD LYS 14 3.373 2.701 3.716 126 HD3 LYS 14 1HD LYS 14 4.630 2.346 2.531 127 HE2 LYS 14 2HE LYS 14 5.827 3.986 3.571 128 HE3 LYS 14 1HE LYS 14 4.733 5.122 2.757 129 HZ1 LYS 14 3HZ LYS 14 3.272 5.120 4.579 130 HZ2 LYS 14 1HZ LYS 14 4.814 5.273 5.268 131 HZ3 LYS 14 2HZ LYS 14 4.017 3.772 5.295 132 H THR 15 H THR 15 4.232 0.096 -0.504 133 HA THR 15 HA THR 15 5.772 -0.986 1.618 134 HB THR 15 HB THR 15 5.112 -2.029 -1.154 135 HG1 THR 15 1HG THR 15 3.223 -2.332 -0.331 136 HG21 THR 15 3HG2 THR 15 6.754 -3.130 0.939 137 HG22 THR 15 1HG2 THR 15 6.365 -3.821 -0.637 138 HG23 THR 15 2HG2 THR 15 5.308 -4.119 0.742 139 H ILE 16 H ILE 16 6.639 -0.293 -1.777 140 HA ILE 16 HA ILE 16 9.307 -1.171 -1.702 141 HB ILE 16 HB ILE 16 7.525 0.217 -3.413 142 HG12 ILE 16 2HG1 ILE 16 9.073 -0.493 -5.148 143 HG13 ILE 16 1HG1 ILE 16 10.366 -0.683 -3.963 144 HG21 ILE 16 1HG2 ILE 16 8.734 2.044 -4.316 145 HG22 ILE 16 2HG2 ILE 16 10.212 1.595 -3.466 146 HG23 ILE 16 3HG2 ILE 16 8.851 2.268 -2.571 147 HD11 ILE 16 3HD1 ILE 16 9.468 -2.620 -3.084 148 HD12 ILE 16 1HD1 ILE 16 8.886 -2.762 -4.743 149 HD13 ILE 16 2HD1 ILE 16 7.814 -2.157 -3.481 150 H HIS 17 H HIS 17 7.834 1.820 -0.690 151 HA HIS 17 HA HIS 17 10.112 3.388 -0.179 152 HB2 HIS 17 2HB HIS 17 7.276 3.307 0.443 153 HB3 HIS 17 1HB HIS 17 8.199 3.954 1.799 154 HD1 HIS 17 1HD HIS 17 10.387 5.519 0.459 155 HD2 HIS 17 2HD HIS 17 6.464 5.557 -0.953 156 HE1 HIS 17 1HE HIS 17 10.135 7.644 -0.898 157 H ARG 18 H ARG 18 8.740 0.694 1.576 158 HA ARG 18 HA ARG 18 10.278 1.217 3.984 159 HB2 ARG 18 2HB ARG 18 8.434 -0.972 3.055 160 HB3 ARG 18 1HB ARG 18 9.205 -0.980 4.643 161 HG2 ARG 18 2HG ARG 18 7.912 1.575 3.987 162 HG3 ARG 18 1HG ARG 18 6.786 0.219 4.067 163 HD2 ARG 18 2HD ARG 18 8.227 -0.313 6.286 164 HD3 ARG 18 1HD ARG 18 8.408 1.453 6.240 165 HE ARG 18 HE ARG 18 5.696 0.245 5.925 166 HH11 ARG 18 1HH1 ARG 18 7.169 3.123 6.479 167 HH12 ARG 18 2HH1 ARG 18 6.352 3.499 7.960 168 HH21 ARG 18 1HH2 ARG 18 4.976 0.337 8.313 169 HH22 ARG 18 2HH2 ARG 18 5.111 1.921 8.998 170 H LEU 19 H LEU 19 10.462 -0.840 1.169 171 HA LEU 19 HA LEU 19 12.363 -2.725 2.033 172 HB2 LEU 19 2HB LEU 19 12.489 -3.264 -0.230 173 HB3 LEU 19 1HB LEU 19 10.985 -2.347 -0.205 174 HG LEU 19 HG LEU 19 12.527 -0.281 -0.648 175 HD11 LEU 19 1HD1 LEU 19 14.693 -0.645 -1.229 176 HD12 LEU 19 2HD1 LEU 19 14.295 -2.090 -2.157 177 HD13 LEU 19 3HD1 LEU 19 14.491 -2.192 -0.407 178 HD21 LEU 19 3HD2 LEU 19 12.527 -2.026 -3.046 179 HD22 LEU 19 1HD2 LEU 19 11.828 -0.421 -2.823 180 HD23 LEU 19 2HD2 LEU 19 10.967 -1.847 -2.242 181 H VAL 20 H VAL 20 12.677 0.610 1.289 182 HA VAL 20 HA VAL 20 15.623 0.482 1.420 183 HB VAL 20 HB VAL 20 14.914 1.643 -0.517 184 HG11 VAL 20 1HG1 VAL 20 13.193 3.626 -0.057 185 HG12 VAL 20 2HG1 VAL 20 12.730 2.590 1.292 186 HG13 VAL 20 3HG1 VAL 20 12.628 1.983 -0.359 187 HG21 VAL 20 3HG2 VAL 20 15.461 4.016 -0.061 188 HG22 VAL 20 1HG2 VAL 20 16.573 2.925 0.768 189 HG23 VAL 20 2HG2 VAL 20 15.273 3.710 1.666 190 H THR 21 H THR 21 12.942 1.061 3.310 191 HA THR 21 HA THR 21 13.154 3.214 4.912 192 HB THR 21 HB THR 21 11.695 1.198 5.201 193 HG1 THR 21 1HG THR 21 12.993 1.731 7.636 194 HG21 THR 21 3HG2 THR 21 14.010 0.067 6.779 195 HG22 THR 21 1HG2 THR 21 13.706 -0.379 5.100 196 HG23 THR 21 2HG2 THR 21 12.502 -0.735 6.339 197 H GLY 22 H GLY 22 15.494 0.626 4.808 198 HA2 GLY 22 1HA GLY 22 17.517 0.305 5.986 199 HA3 GLY 22 2HA GLY 22 17.745 2.002 5.573 Start of MODEL 16 1 H1 PHE 1 1HT PHE 1 -13.824 21.862 -3.073 2 H2 PHE 1 2HT PHE 1 -12.250 21.672 -3.685 3 H3 PHE 1 3HT PHE 1 -12.579 22.883 -2.540 4 HA PHE 1 HA PHE 1 -11.534 21.183 -1.313 5 HB2 PHE 1 2HB PHE 1 -13.332 20.670 0.213 6 HB3 PHE 1 1HB PHE 1 -13.702 22.236 -0.507 7 HD1 PHE 1 1HD PHE 1 -14.479 18.606 -0.629 8 HD2 PHE 1 2HD PHE 1 -15.603 22.541 -1.934 9 HE1 PHE 1 1HE PHE 1 -16.625 17.708 -1.488 10 HE2 PHE 1 2HE PHE 1 -17.748 21.643 -2.793 11 HZ PHE 1 HZ PHE 1 -18.260 19.226 -2.570 12 H PHE 2 H PHE 2 -10.836 19.064 -1.344 13 HA PHE 2 HA PHE 2 -12.372 17.126 -3.047 14 HB2 PHE 2 2HB PHE 2 -9.989 16.129 -3.294 15 HB3 PHE 2 1HB PHE 2 -10.338 17.629 -4.154 16 HD1 PHE 2 1HD PHE 2 -8.898 16.294 -0.974 17 HD2 PHE 2 2HD PHE 2 -9.078 19.585 -3.731 18 HE1 PHE 2 1HE PHE 2 -7.060 17.421 0.251 19 HE2 PHE 2 2HE PHE 2 -7.239 20.711 -2.506 20 HZ PHE 2 HZ PHE 2 -6.230 19.629 -0.515 21 H HIS 3 H HIS 3 -11.059 17.797 0.065 22 HA HIS 3 HA HIS 3 -11.150 16.528 2.064 23 HB2 HIS 3 2HB HIS 3 -13.201 15.623 0.312 24 HB3 HIS 3 1HB HIS 3 -12.471 14.186 1.028 25 HD1 HIS 3 1HD HIS 3 -14.912 14.109 2.288 26 HD2 HIS 3 2HD HIS 3 -12.289 17.127 3.470 27 HE1 HIS 3 1HE HIS 3 -15.746 14.945 4.529 28 H HIS 4 H HIS 4 -11.031 13.974 -0.438 29 HA HIS 4 HA HIS 4 -8.818 12.662 0.908 30 HB2 HIS 4 2HB HIS 4 -10.482 12.194 -1.562 31 HB3 HIS 4 1HB HIS 4 -9.118 11.149 -1.165 32 HD1 HIS 4 1HD HIS 4 -11.449 12.673 1.390 33 HD2 HIS 4 2HD HIS 4 -10.600 8.941 -0.257 34 HE1 HIS 4 1HE HIS 4 -12.726 10.975 2.770 35 H ILE 5 H ILE 5 -6.732 12.255 -0.128 36 HA ILE 5 HA ILE 5 -5.761 14.552 -1.694 37 HB ILE 5 HB ILE 5 -4.552 13.515 0.231 38 HG12 ILE 5 2HG1 ILE 5 -2.355 13.484 -0.836 39 HG13 ILE 5 1HG1 ILE 5 -3.094 13.208 -2.413 40 HG21 ILE 5 1HG2 ILE 5 -3.325 11.311 -0.493 41 HG22 ILE 5 2HG2 ILE 5 -4.671 11.148 -1.619 42 HG23 ILE 5 3HG2 ILE 5 -4.978 11.218 0.116 43 HD11 ILE 5 3HD1 ILE 5 -3.624 15.645 -0.689 44 HD12 ILE 5 1HD1 ILE 5 -4.188 15.377 -2.338 45 HD13 ILE 5 2HD1 ILE 5 -2.469 15.605 -2.021 46 H PHE 6 H PHE 6 -4.392 14.098 -3.677 47 HA PHE 6 HA PHE 6 -5.844 12.306 -5.506 48 HB2 PHE 6 2HB PHE 6 -3.882 14.535 -5.604 49 HB3 PHE 6 1HB PHE 6 -3.797 13.379 -6.935 50 HD1 PHE 6 2HD PHE 6 -6.442 15.133 -4.919 51 HD2 PHE 6 1HD PHE 6 -5.111 13.844 -8.794 52 HE1 PHE 6 2HE PHE 6 -8.444 16.168 -5.951 53 HE2 PHE 6 1HE PHE 6 -7.114 14.880 -9.826 54 HZ PHE 6 HZ PHE 6 -8.780 16.042 -8.404 55 H ARG 7 H ARG 7 -3.767 11.481 -3.243 56 HA ARG 7 HA ARG 7 -1.559 10.227 -4.583 57 HB2 ARG 7 2HB ARG 7 -1.690 10.766 -2.171 58 HB3 ARG 7 1HB ARG 7 -2.978 9.577 -1.979 59 HG2 ARG 7 2HG ARG 7 -1.416 7.994 -1.651 60 HG3 ARG 7 1HG ARG 7 -0.858 8.249 -3.305 61 HD2 ARG 7 2HD ARG 7 0.947 8.551 -1.544 62 HD3 ARG 7 1HD ARG 7 0.698 9.981 -2.567 63 HE ARG 7 HE ARG 7 -0.312 11.090 -0.716 64 HH11 ARG 7 1HH1 ARG 7 -0.224 7.688 -0.233 65 HH12 ARG 7 2HH1 ARG 7 -0.419 7.788 1.485 66 HH21 ARG 7 1HH2 ARG 7 -0.386 11.254 1.555 67 HH22 ARG 7 2HH2 ARG 7 -0.509 9.807 2.498 68 2HA UVR 8 2HA UVR 8 -2.693 6.543 -7.047 69 1HA UVR 8 1HA UVR 8 -3.903 6.501 -5.759 70 1HB UVR 8 1HB UVR 8 -0.316 8.743 -4.988 71 2HB UVR 8 2HB UVR 8 -1.348 9.211 -5.934 72 1HG UVR 8 1HG UVR 8 0.583 7.863 -7.335 73 2HG UVR 8 2HG UVR 8 -1.059 8.096 -7.982 74 1HD UVR 8 1HD UVR 8 -0.541 10.559 -6.733 75 2HD UVR 8 2HD UVR 8 1.082 10.140 -7.330 76 1HE UVR 8 1HE UVR 8 -0.001 9.856 -9.764 77 2HE UVR 8 2HE UVR 8 0.574 10.910 -8.912 78 2HZ UVR 8 2HZ UVR 8 -0.349 12.472 -8.666 79 1HZ UVR 8 1HZ UVR 8 -0.867 11.991 -10.140 80 H ILE 9 H ILE 9 -1.298 4.990 -7.164 81 HA ILE 9 HA ILE 9 -1.433 2.502 -5.922 82 HB ILE 9 HB ILE 9 -0.232 3.204 -8.027 83 HG12 ILE 9 2HG1 ILE 9 1.669 1.566 -7.673 84 HG13 ILE 9 1HG1 ILE 9 1.195 1.496 -5.974 85 HG21 ILE 9 1HG2 ILE 9 2.220 3.699 -6.400 86 HG22 ILE 9 2HG2 ILE 9 1.052 5.014 -6.532 87 HG23 ILE 9 3HG2 ILE 9 1.777 4.330 -7.986 88 HD11 ILE 9 3HD1 ILE 9 -0.356 -0.039 -6.516 89 HD12 ILE 9 1HD1 ILE 9 0.005 0.149 -8.232 90 HD13 ILE 9 2HD1 ILE 9 -1.186 1.199 -7.461 91 H VAL 10 H VAL 10 -1.495 2.497 -3.651 92 HA VAL 10 HA VAL 10 0.834 3.686 -2.200 93 HB VAL 10 HB VAL 10 -1.981 2.864 -1.462 94 HG11 VAL 10 1HG1 VAL 10 -1.353 3.649 0.861 95 HG12 VAL 10 2HG1 VAL 10 0.334 3.597 0.350 96 HG13 VAL 10 3HG1 VAL 10 -0.622 2.116 0.385 97 HG21 VAL 10 3HG2 VAL 10 -1.438 5.401 -0.504 98 HG22 VAL 10 1HG2 VAL 10 -2.253 5.046 -2.027 99 HG23 VAL 10 2HG2 VAL 10 -0.517 5.353 -2.006 100 H HIS 11 H HIS 11 -0.201 0.746 -3.442 101 HA HIS 11 HA HIS 11 0.728 -0.948 -1.213 102 HB2 HIS 11 2HB HIS 11 -1.192 -1.287 -2.981 103 HB3 HIS 11 1HB HIS 11 0.117 -1.867 -4.011 104 HD1 HIS 11 1HD HIS 11 1.798 -3.225 -1.712 105 HD2 HIS 11 2HD HIS 11 -2.279 -3.806 -2.356 106 HE1 HIS 11 1HE HIS 11 1.217 -5.452 -0.657 107 H VAL 12 H VAL 12 1.619 -0.869 -4.689 108 HA VAL 12 HA VAL 12 4.235 -2.031 -4.151 109 HB VAL 12 HB VAL 12 4.495 -1.621 -6.612 110 HG11 VAL 12 1HG1 VAL 12 3.315 -3.515 -6.918 111 HG12 VAL 12 2HG1 VAL 12 1.791 -2.670 -6.645 112 HG13 VAL 12 3HG1 VAL 12 2.696 -3.319 -5.278 113 HG21 VAL 12 3HG2 VAL 12 2.745 0.463 -6.155 114 HG22 VAL 12 1HG2 VAL 12 1.702 -0.742 -6.911 115 HG23 VAL 12 2HG2 VAL 12 3.151 -0.182 -7.745 116 H GLY 13 H GLY 13 3.093 1.020 -3.581 117 HA2 GLY 13 2HA GLY 13 5.651 2.346 -4.363 118 HA3 GLY 13 1HA GLY 13 4.145 3.196 -4.005 119 H LYS 14 H LYS 14 3.323 2.762 -1.674 120 HA LYS 14 HA LYS 14 5.083 3.814 0.215 121 HB2 LYS 14 2HB LYS 14 2.461 2.906 0.055 122 HB3 LYS 14 1HB LYS 14 3.167 1.918 1.334 123 HG2 LYS 14 2HG LYS 14 3.175 4.948 1.182 124 HG3 LYS 14 1HG LYS 14 2.257 3.957 2.317 125 HD2 LYS 14 2HD LYS 14 4.018 3.885 3.711 126 HD3 LYS 14 1HD LYS 14 5.013 3.173 2.440 127 HE2 LYS 14 2HE LYS 14 6.211 5.113 2.551 128 HE3 LYS 14 1HE LYS 14 4.848 5.844 1.681 129 HZ1 LYS 14 3HZ LYS 14 5.386 5.802 4.578 130 HZ2 LYS 14 1HZ LYS 14 3.787 5.917 4.022 131 HZ3 LYS 14 2HZ LYS 14 4.922 7.108 3.594 132 H THR 15 H THR 15 4.168 0.343 -0.019 133 HA THR 15 HA THR 15 5.982 -0.640 1.893 134 HB THR 15 HB THR 15 5.421 -2.183 -0.611 135 HG1 THR 15 1HG THR 15 3.385 -1.667 1.266 136 HG21 THR 15 3HG2 THR 15 5.879 -3.844 0.828 137 HG22 THR 15 1HG2 THR 15 4.445 -3.405 1.755 138 HG23 THR 15 2HG2 THR 15 6.005 -2.689 2.155 139 H ILE 16 H ILE 16 6.406 -0.138 -1.608 140 HA ILE 16 HA ILE 16 9.020 -1.134 -1.876 141 HB ILE 16 HB ILE 16 7.103 0.329 -3.354 142 HG12 ILE 16 2HG1 ILE 16 8.731 -0.240 -5.262 143 HG13 ILE 16 1HG1 ILE 16 9.756 -0.950 -4.014 144 HG21 ILE 16 1HG2 ILE 16 9.788 1.722 -3.235 145 HG22 ILE 16 2HG2 ILE 16 8.193 2.428 -2.978 146 HG23 ILE 16 3HG2 ILE 16 8.677 1.907 -4.593 147 HD11 ILE 16 3HD1 ILE 16 8.512 -2.818 -4.485 148 HD12 ILE 16 1HD1 ILE 16 7.137 -1.882 -5.071 149 HD13 ILE 16 2HD1 ILE 16 7.397 -2.077 -3.337 150 H HIS 17 H HIS 17 7.910 2.107 -1.135 151 HA HIS 17 HA HIS 17 10.277 3.489 -0.735 152 HB2 HIS 17 2HB HIS 17 7.485 3.632 0.032 153 HB3 HIS 17 1HB HIS 17 8.506 4.220 1.347 154 HD1 HIS 17 1HD HIS 17 10.605 5.846 0.266 155 HD2 HIS 17 2HD HIS 17 6.937 5.690 -1.711 156 HE1 HIS 17 1HE HIS 17 10.491 7.910 -1.196 157 H ARG 18 H ARG 18 8.467 1.723 1.818 158 HA ARG 18 HA ARG 18 10.601 1.910 3.715 159 HB2 ARG 18 2HB ARG 18 8.250 0.020 3.593 160 HB3 ARG 18 1HB ARG 18 9.172 0.447 5.037 161 HG2 ARG 18 2HG ARG 18 8.526 2.894 4.469 162 HG3 ARG 18 1HG ARG 18 7.299 2.176 3.425 163 HD2 ARG 18 2HD ARG 18 7.032 0.737 5.795 164 HD3 ARG 18 1HD ARG 18 7.326 2.401 6.341 165 HE ARG 18 HE ARG 18 5.543 2.760 4.286 166 HH11 ARG 18 1HH2 ARG 18 4.537 -0.007 4.756 167 HH12 ARG 18 2HH2 ARG 18 3.303 0.244 5.946 168 HH21 ARG 18 1HH1 ARG 18 4.418 3.411 6.817 169 HH22 ARG 18 2HH1 ARG 18 3.236 2.179 7.113 170 H LEU 19 H LEU 19 9.865 -0.246 1.134 171 HA LEU 19 HA LEU 19 11.009 -2.664 1.822 172 HB2 LEU 19 2HB LEU 19 10.143 -1.458 -0.451 173 HB3 LEU 19 1HB LEU 19 11.877 -1.515 -0.767 174 HG LEU 19 HG LEU 19 10.232 -3.901 0.106 175 HD11 LEU 19 1HD1 LEU 19 11.361 -3.876 -2.607 176 HD12 LEU 19 2HD1 LEU 19 10.107 -2.661 -2.355 177 HD13 LEU 19 3HD1 LEU 19 9.757 -4.365 -2.063 178 HD21 LEU 19 3HD2 LEU 19 12.538 -4.736 -1.201 179 HD22 LEU 19 1HD2 LEU 19 12.304 -4.706 0.546 180 HD23 LEU 19 2HD2 LEU 19 13.084 -3.345 -0.262 181 H VAL 20 H VAL 20 12.563 0.382 1.315 182 HA VAL 20 HA VAL 20 15.224 -0.825 1.680 183 HB VAL 20 HB VAL 20 15.132 0.532 -0.267 184 HG11 VAL 20 1HG1 VAL 20 13.552 2.412 1.493 185 HG12 VAL 20 2HG1 VAL 20 13.053 1.658 -0.021 186 HG13 VAL 20 3HG1 VAL 20 14.261 2.944 -0.032 187 HG21 VAL 20 3HG2 VAL 20 17.105 1.047 1.038 188 HG22 VAL 20 1HG2 VAL 20 16.192 2.156 2.059 189 HG23 VAL 20 2HG2 VAL 20 16.489 2.557 0.368 190 H THR 21 H THR 21 12.877 1.248 3.123 191 HA THR 21 HA THR 21 14.683 1.689 5.423 192 HB THR 21 HB THR 21 14.242 3.700 3.990 193 HG1 THR 21 1HG THR 21 14.694 4.176 6.063 194 HG21 THR 21 3HG2 THR 21 11.967 3.108 3.288 195 HG22 THR 21 1HG2 THR 21 11.971 4.681 4.086 196 HG23 THR 21 2HG2 THR 21 11.404 3.253 4.953 197 H GLY 22 H GLY 22 12.979 -0.553 5.265 198 HA2 GLY 22 1HA GLY 22 11.535 -0.342 7.696 199 HA3 GLY 22 2HA GLY 22 10.410 -0.239 6.346 Start of MODEL 17 1 H1 PHE 1 1HT PHE 1 -17.168 2.731 -16.941 2 H2 PHE 1 2HT PHE 1 -16.730 2.269 -15.367 3 H3 PHE 1 3HT PHE 1 -17.114 1.088 -16.526 4 HA PHE 1 HA PHE 1 -14.678 1.332 -16.113 5 HB2 PHE 1 2HB PHE 1 -14.300 1.504 -18.665 6 HB3 PHE 1 1HB PHE 1 -15.425 0.269 -18.103 7 HD1 PHE 1 1HD PHE 1 -15.100 3.531 -19.782 8 HD2 PHE 1 2HD PHE 1 -17.835 0.511 -18.420 9 HE1 PHE 1 1HE PHE 1 -16.906 4.552 -21.141 10 HE2 PHE 1 2HE PHE 1 -19.640 1.532 -19.780 11 HZ PHE 1 HZ PHE 1 -19.175 3.553 -21.141 12 H PHE 2 H PHE 2 -13.658 3.081 -15.135 13 HA PHE 2 HA PHE 2 -13.003 5.396 -16.843 14 HB2 PHE 2 2HB PHE 2 -15.268 5.495 -15.295 15 HB3 PHE 2 1HB PHE 2 -14.067 6.172 -14.195 16 HD1 PHE 2 1HD PHE 2 -14.288 6.357 -17.926 17 HD2 PHE 2 2HD PHE 2 -14.419 8.496 -14.203 18 HE1 PHE 2 1HE PHE 2 -14.362 8.506 -19.163 19 HE2 PHE 2 2HE PHE 2 -14.493 10.644 -15.439 20 HZ PHE 2 HZ PHE 2 -14.464 10.649 -17.919 21 H HIS 3 H HIS 3 -11.091 3.720 -16.130 22 HA HIS 3 HA HIS 3 -9.935 3.769 -13.564 23 HB2 HIS 3 2HB HIS 3 -7.792 3.436 -14.936 24 HB3 HIS 3 1HB HIS 3 -9.112 2.315 -15.275 25 HD1 HIS 3 1HD HIS 3 -7.433 5.403 -16.680 26 HD2 HIS 3 2HD HIS 3 -10.170 2.493 -17.870 27 HE1 HIS 3 1HE HIS 3 -7.807 5.744 -19.161 28 H HIS 4 H HIS 4 -9.930 5.803 -12.525 29 HA HIS 4 HA HIS 4 -9.464 8.344 -13.478 30 HB2 HIS 4 2HB HIS 4 -8.218 7.129 -10.991 31 HB3 HIS 4 1HB HIS 4 -8.646 8.823 -11.229 32 HD1 HIS 4 1HD HIS 4 -11.335 7.383 -12.827 33 HD2 HIS 4 2HD HIS 4 -10.257 7.464 -8.800 34 HE1 HIS 4 1HE HIS 4 -13.451 6.931 -11.510 35 H ILE 5 H ILE 5 -7.653 9.540 -14.159 36 HA ILE 5 HA ILE 5 -5.285 8.007 -14.959 37 HB ILE 5 HB ILE 5 -6.337 10.808 -15.321 38 HG12 ILE 5 2HG1 ILE 5 -5.638 8.609 -17.293 39 HG13 ILE 5 1HG1 ILE 5 -7.263 8.925 -16.682 40 HG21 ILE 5 1HG2 ILE 5 -3.574 9.857 -15.534 41 HG22 ILE 5 2HG2 ILE 5 -4.197 11.507 -15.531 42 HG23 ILE 5 3HG2 ILE 5 -4.172 10.576 -17.029 43 HD11 ILE 5 3HD1 ILE 5 -6.153 11.401 -17.592 44 HD12 ILE 5 1HD1 ILE 5 -7.547 10.529 -18.230 45 HD13 ILE 5 2HD1 ILE 5 -5.933 10.197 -18.862 46 H PHE 6 H PHE 6 -6.118 10.556 -12.703 47 HA PHE 6 HA PHE 6 -3.347 10.874 -11.759 48 HB2 PHE 6 2HB PHE 6 -4.324 12.628 -10.408 49 HB3 PHE 6 1HB PHE 6 -5.073 12.706 -12.003 50 HD1 PHE 6 2HD PHE 6 -5.564 11.789 -8.468 51 HD2 PHE 6 1HD PHE 6 -7.390 12.025 -12.350 52 HE1 PHE 6 2HE PHE 6 -7.798 11.481 -7.436 53 HE2 PHE 6 1HE PHE 6 -9.624 11.717 -11.317 54 HZ PHE 6 HZ PHE 6 -9.828 11.445 -8.861 55 H ARG 7 H ARG 7 -4.973 8.265 -11.405 56 HA ARG 7 HA ARG 7 -5.466 8.011 -8.553 57 HB2 ARG 7 2HB ARG 7 -6.092 6.668 -10.887 58 HB3 ARG 7 1HB ARG 7 -4.942 5.578 -10.112 59 HG2 ARG 7 2HG ARG 7 -7.314 6.784 -8.666 60 HG3 ARG 7 1HG ARG 7 -7.363 5.207 -9.453 61 HD2 ARG 7 2HD ARG 7 -5.203 5.865 -7.441 62 HD3 ARG 7 1HD ARG 7 -6.780 5.227 -6.931 63 HE ARG 7 HE ARG 7 -4.723 3.704 -8.280 64 HH11 ARG 7 1HH1 ARG 7 -7.475 3.201 -6.661 65 HH12 ARG 7 2HH1 ARG 7 -8.184 2.054 -7.748 66 HH21 ARG 7 1HH2 ARG 7 -5.907 2.658 -10.292 67 HH22 ARG 7 2HH2 ARG 7 -7.296 1.747 -9.804 68 2HA UVR 8 2HA UVR 8 -1.321 8.010 -6.461 69 1HA UVR 8 1HA UVR 8 -1.067 6.948 -7.851 70 1HB UVR 8 1HB UVR 8 -4.605 9.066 -7.189 71 2HB UVR 8 2HB UVR 8 -3.212 9.065 -6.704 72 1HG UVR 8 1HG UVR 8 -4.376 7.699 -4.603 73 2HG UVR 8 2HG UVR 8 -2.817 8.532 -4.812 74 1HD UVR 8 1HD UVR 8 -3.943 10.272 -3.831 75 2HD UVR 8 2HD UVR 8 -4.533 10.621 -5.473 76 1HE UVR 8 1HE UVR 8 -6.299 8.601 -3.928 77 2HE UVR 8 2HE UVR 8 -6.204 9.333 -5.200 78 2HZ UVR 8 2HZ UVR 8 -7.788 10.534 -3.694 79 1HZ UVR 8 1HZ UVR 8 -6.697 11.589 -4.303 80 H ILE 9 H ILE 9 -1.317 4.773 -7.582 81 HA ILE 9 HA ILE 9 -2.349 3.256 -5.430 82 HB ILE 9 HB ILE 9 -1.480 2.626 -7.784 83 HG12 ILE 9 2HG1 ILE 9 -1.089 0.321 -7.089 84 HG13 ILE 9 1HG1 ILE 9 -0.707 0.848 -5.450 85 HG21 ILE 9 1HG2 ILE 9 0.839 3.579 -7.208 86 HG22 ILE 9 2HG2 ILE 9 0.803 2.010 -8.010 87 HG23 ILE 9 3HG2 ILE 9 1.083 2.105 -6.272 88 HD11 ILE 9 3HD1 ILE 9 -3.201 0.061 -6.289 89 HD12 ILE 9 1HD1 ILE 9 -3.306 1.815 -6.447 90 HD13 ILE 9 2HD1 ILE 9 -2.896 1.092 -4.891 91 H VAL 10 H VAL 10 -1.698 3.183 -3.320 92 HA VAL 10 HA VAL 10 1.082 4.055 -2.645 93 HB VAL 10 HB VAL 10 -1.301 3.662 -0.818 94 HG11 VAL 10 1HG1 VAL 10 0.382 4.105 0.652 95 HG12 VAL 10 2HG1 VAL 10 0.182 5.771 0.107 96 HG13 VAL 10 3HG1 VAL 10 1.435 4.754 -0.605 97 HG21 VAL 10 3HG2 VAL 10 -0.522 6.040 -2.526 98 HG22 VAL 10 1HG2 VAL 10 -1.586 6.175 -1.126 99 HG23 VAL 10 2HG2 VAL 10 -2.067 5.189 -2.507 100 H HIS 11 H HIS 11 -0.933 1.284 -2.841 101 HA HIS 11 HA HIS 11 0.231 -0.294 -0.708 102 HB2 HIS 11 2HB HIS 11 -1.967 -0.470 -2.208 103 HB3 HIS 11 1HB HIS 11 -0.923 -1.483 -3.204 104 HD1 HIS 11 1HD HIS 11 -3.319 -1.969 -0.749 105 HD2 HIS 11 2HD HIS 11 0.614 -3.306 -1.084 106 HE1 HIS 11 1HE HIS 11 -3.122 -3.997 0.756 107 H VAL 12 H VAL 12 0.541 -0.758 -4.252 108 HA VAL 12 HA VAL 12 2.938 -2.356 -4.003 109 HB VAL 12 HB VAL 12 2.927 -2.011 -6.516 110 HG11 VAL 12 1HG1 VAL 12 0.194 -2.685 -5.400 111 HG12 VAL 12 2HG1 VAL 12 1.578 -3.770 -5.255 112 HG13 VAL 12 3HG1 VAL 12 0.959 -3.337 -6.849 113 HG21 VAL 12 3HG2 VAL 12 1.665 0.326 -5.943 114 HG22 VAL 12 1HG2 VAL 12 0.274 -0.696 -6.307 115 HG23 VAL 12 2HG2 VAL 12 1.547 -0.477 -7.509 116 H GLY 13 H GLY 13 2.482 0.933 -3.610 117 HA2 GLY 13 2HA GLY 13 5.169 1.622 -4.706 118 HA3 GLY 13 1HA GLY 13 3.919 2.794 -4.283 119 H LYS 14 H LYS 14 3.213 2.399 -1.799 120 HA LYS 14 HA LYS 14 5.207 3.371 -0.133 121 HB2 LYS 14 2HB LYS 14 2.693 3.082 0.230 122 HB3 LYS 14 1HB LYS 14 3.053 1.427 0.724 123 HG2 LYS 14 2HG LYS 14 3.131 2.514 2.778 124 HG3 LYS 14 1HG LYS 14 4.823 2.616 2.290 125 HD2 LYS 14 2HD LYS 14 4.680 4.872 1.761 126 HD3 LYS 14 1HD LYS 14 2.948 4.792 1.438 127 HE2 LYS 14 2HE LYS 14 3.474 4.076 4.199 128 HE3 LYS 14 1HE LYS 14 4.157 5.671 3.825 129 HZ1 LYS 14 3HZ LYS 14 1.682 5.550 4.424 130 HZ2 LYS 14 1HZ LYS 14 1.471 4.902 2.871 131 HZ3 LYS 14 2HZ LYS 14 2.125 6.458 3.058 132 H THR 15 H THR 15 4.800 0.093 -1.260 133 HA THR 15 HA THR 15 6.228 -1.286 0.783 134 HB THR 15 HB THR 15 6.561 -2.368 -1.899 135 HG1 THR 15 1HG THR 15 3.893 -1.879 -1.159 136 HG21 THR 15 3HG2 THR 15 6.437 -3.603 0.299 137 HG22 THR 15 1HG2 THR 15 5.364 -4.230 -0.953 138 HG23 THR 15 2HG2 THR 15 4.715 -3.223 0.341 139 H ILE 16 H ILE 16 7.315 -0.023 -2.387 140 HA ILE 16 HA ILE 16 10.023 -0.727 -2.183 141 HB ILE 16 HB ILE 16 8.305 0.791 -3.839 142 HG12 ILE 16 2HG1 ILE 16 10.276 0.625 -5.421 143 HG13 ILE 16 1HG1 ILE 16 11.203 -0.048 -4.080 144 HG21 ILE 16 1HG2 ILE 16 9.367 2.773 -2.572 145 HG22 ILE 16 2HG2 ILE 16 9.443 2.814 -4.335 146 HG23 ILE 16 3HG2 ILE 16 10.862 2.340 -3.402 147 HD11 ILE 16 3HD1 ILE 16 9.721 -1.554 -5.809 148 HD12 ILE 16 1HD1 ILE 16 8.557 -1.294 -4.510 149 HD13 ILE 16 2HD1 ILE 16 10.114 -2.046 -4.161 150 H HIS 17 H HIS 17 8.265 1.977 -0.863 151 HA HIS 17 HA HIS 17 10.462 3.504 0.082 152 HB2 HIS 17 2HB HIS 17 7.559 3.389 0.290 153 HB3 HIS 17 1HB HIS 17 8.296 3.919 1.803 154 HD1 HIS 17 1HD HIS 17 10.594 5.610 0.974 155 HD2 HIS 17 2HD HIS 17 6.975 5.706 -1.097 156 HE1 HIS 17 1HE HIS 17 10.534 7.820 -0.262 157 H ARG 18 H ARG 18 8.384 1.105 1.727 158 HA ARG 18 HA ARG 18 9.818 1.191 4.196 159 HB2 ARG 18 2HB ARG 18 8.078 -0.982 3.034 160 HB3 ARG 18 1HB ARG 18 8.398 -0.695 4.745 161 HG2 ARG 18 2HG ARG 18 7.366 1.659 3.307 162 HG3 ARG 18 1HG ARG 18 6.236 0.307 3.374 163 HD2 ARG 18 2HD ARG 18 6.251 0.270 5.757 164 HD3 ARG 18 1HD ARG 18 7.691 1.305 5.837 165 HE ARG 18 HE ARG 18 5.891 2.836 4.409 166 HH11 ARG 18 1HH1 ARG 18 4.258 0.905 6.401 167 HH12 ARG 18 2HH1 ARG 18 3.825 2.088 7.588 168 HH21 ARG 18 1HH2 ARG 18 6.012 4.490 6.377 169 HH22 ARG 18 2HH2 ARG 18 4.817 4.119 7.575 170 H LEU 19 H LEU 19 10.433 -0.335 1.192 171 HA LEU 19 HA LEU 19 11.887 -2.618 2.044 172 HB2 LEU 19 2HB LEU 19 11.480 -2.737 -0.206 173 HB3 LEU 19 1HB LEU 19 11.473 -0.986 -0.376 174 HG LEU 19 HG LEU 19 13.911 -0.937 -0.358 175 HD11 LEU 19 1HD1 LEU 19 14.073 -3.918 -0.455 176 HD12 LEU 19 2HD1 LEU 19 13.842 -3.162 1.122 177 HD13 LEU 19 3HD1 LEU 19 15.251 -2.751 0.143 178 HD21 LEU 19 3HD2 LEU 19 14.310 -2.013 -2.491 179 HD22 LEU 19 1HD2 LEU 19 12.652 -1.412 -2.496 180 HD23 LEU 19 2HD2 LEU 19 12.968 -3.126 -2.232 181 H VAL 20 H VAL 20 12.981 0.585 1.089 182 HA VAL 20 HA VAL 20 15.692 0.180 1.990 183 HB VAL 20 HB VAL 20 15.350 1.683 0.178 184 HG11 VAL 20 1HG1 VAL 20 13.839 3.766 0.661 185 HG12 VAL 20 2HG1 VAL 20 13.138 2.748 1.919 186 HG13 VAL 20 3HG1 VAL 20 13.069 2.238 0.232 187 HG21 VAL 20 3HG2 VAL 20 15.666 3.330 2.697 188 HG22 VAL 20 1HG2 VAL 20 16.120 3.855 1.075 189 HG23 VAL 20 2HG2 VAL 20 16.970 2.510 1.838 190 H THR 21 H THR 21 12.803 0.812 3.563 191 HA THR 21 HA THR 21 13.010 2.677 5.501 192 HB THR 21 HB THR 21 11.341 0.772 5.227 193 HG1 THR 21 1HG THR 21 12.293 1.367 7.830 194 HG21 THR 21 3HG2 THR 21 13.205 -0.641 7.144 195 HG22 THR 21 1HG2 THR 21 13.172 -0.984 5.415 196 HG23 THR 21 2HG2 THR 21 11.739 -1.278 6.400 197 H GLY 22 H GLY 22 15.030 -0.163 5.306 198 HA2 GLY 22 1HA GLY 22 16.190 -0.399 7.783 199 HA3 GLY 22 2HA GLY 22 17.137 -0.548 6.305 Start of MODEL 18 1 H1 PHE 1 1HT PHE 1 -15.411 -3.426 -4.282 2 H2 PHE 1 2HT PHE 1 -16.605 -2.394 -3.652 3 H3 PHE 1 3HT PHE 1 -15.119 -2.569 -2.847 4 HA PHE 1 HA PHE 1 -15.590 -0.501 -4.396 5 HB2 PHE 1 2HB PHE 1 -13.217 -2.170 -3.696 6 HB3 PHE 1 1HB PHE 1 -12.961 -0.857 -4.846 7 HD1 PHE 1 1HD PHE 1 -14.119 1.446 -4.166 8 HD2 PHE 1 2HD PHE 1 -13.066 -1.685 -1.421 9 HE1 PHE 1 1HE PHE 1 -14.118 3.081 -2.301 10 HE2 PHE 1 2HE PHE 1 -13.065 -0.051 0.445 11 HZ PHE 1 HZ PHE 1 -13.591 2.333 0.004 12 H PHE 2 H PHE 2 -16.186 -0.214 -6.504 13 HA PHE 2 HA PHE 2 -14.944 -1.968 -8.588 14 HB2 PHE 2 2HB PHE 2 -17.815 -1.474 -7.891 15 HB3 PHE 2 1HB PHE 2 -17.402 -1.700 -9.591 16 HD1 PHE 2 2HD PHE 2 -16.007 -3.769 -10.225 17 HD2 PHE 2 1HD PHE 2 -18.001 -3.329 -6.446 18 HE1 PHE 2 2HE PHE 2 -15.874 -6.219 -9.870 19 HE2 PHE 2 1HE PHE 2 -17.868 -5.779 -6.091 20 HZ PHE 2 HZ PHE 2 -16.804 -7.224 -7.802 21 H HIS 3 H HIS 3 -17.347 0.688 -8.521 22 HA HIS 3 HA HIS 3 -16.591 1.994 -10.875 23 HB2 HIS 3 2HB HIS 3 -17.685 2.918 -8.216 24 HB3 HIS 3 1HB HIS 3 -17.461 4.053 -9.547 25 HD1 HIS 3 1HD HIS 3 -19.936 4.393 -10.106 26 HD2 HIS 3 2HD HIS 3 -18.802 0.381 -10.145 27 HE1 HIS 3 1HE HIS 3 -21.873 3.110 -11.114 28 H HIS 4 H HIS 4 -15.382 2.721 -7.575 29 HA HIS 4 HA HIS 4 -13.594 4.758 -8.032 30 HB2 HIS 4 2HB HIS 4 -13.223 2.218 -6.412 31 HB3 HIS 4 1HB HIS 4 -12.259 3.680 -6.199 32 HD1 HIS 4 1HD HIS 4 -15.475 2.149 -5.273 33 HD2 HIS 4 2HD HIS 4 -13.862 5.993 -5.332 34 HE1 HIS 4 1HE HIS 4 -16.999 3.587 -3.850 35 H ILE 5 H ILE 5 -11.620 5.000 -9.079 36 HA ILE 5 HA ILE 5 -10.820 3.198 -11.132 37 HB ILE 5 HB ILE 5 -10.333 5.691 -10.774 38 HG12 ILE 5 2HG1 ILE 5 -9.304 4.299 -12.572 39 HG13 ILE 5 1HG1 ILE 5 -8.220 5.566 -12.000 40 HG21 ILE 5 1HG2 ILE 5 -9.444 5.420 -8.464 41 HG22 ILE 5 2HG2 ILE 5 -8.295 6.230 -9.528 42 HG23 ILE 5 3HG2 ILE 5 -8.069 4.529 -9.120 43 HD11 ILE 5 3HD1 ILE 5 -6.731 3.843 -11.827 44 HD12 ILE 5 1HD1 ILE 5 -8.000 2.624 -11.717 45 HD13 ILE 5 2HD1 ILE 5 -7.554 3.564 -10.293 46 H PHE 6 H PHE 6 -9.440 1.438 -11.112 47 HA PHE 6 HA PHE 6 -8.649 0.288 -8.550 48 HB2 PHE 6 2HB PHE 6 -9.252 -0.601 -11.092 49 HB3 PHE 6 1HB PHE 6 -7.500 -0.801 -11.033 50 HD1 PHE 6 1HD PHE 6 -10.697 -1.707 -9.385 51 HD2 PHE 6 2HD PHE 6 -6.470 -2.439 -9.609 52 HE1 PHE 6 1HE PHE 6 -10.974 -3.734 -7.984 53 HE2 PHE 6 2HE PHE 6 -6.748 -4.467 -8.208 54 HZ PHE 6 HZ PHE 6 -8.999 -5.113 -7.395 55 H ARG 7 H ARG 7 -7.332 2.577 -8.357 56 HA ARG 7 HA ARG 7 -4.683 2.467 -9.635 57 HB2 ARG 7 2HB ARG 7 -5.500 4.641 -9.389 58 HB3 ARG 7 1HB ARG 7 -6.221 4.305 -7.820 59 HG2 ARG 7 2HG ARG 7 -3.966 4.169 -6.814 60 HG3 ARG 7 1HG ARG 7 -3.248 4.521 -8.387 61 HD2 ARG 7 2HD ARG 7 -5.263 6.504 -7.816 62 HD3 ARG 7 1HD ARG 7 -4.128 6.403 -6.454 63 HE ARG 7 HE ARG 7 -2.422 6.331 -8.576 64 HH11 ARG 7 1HH2 ARG 7 -3.466 8.791 -6.830 65 HH12 ARG 7 2HH2 ARG 7 -3.592 9.969 -8.092 66 HH21 ARG 7 1HH1 ARG 7 -3.298 7.648 -10.651 67 HH22 ARG 7 2HH1 ARG 7 -3.497 9.323 -10.256 68 2HA UVR 8 2HA UVR 8 -4.785 0.367 -4.909 69 1HA UVR 8 1HA UVR 8 -4.649 1.934 -4.104 70 1HB UVR 8 1HB UVR 8 -6.824 3.027 -6.979 71 2HB UVR 8 2HB UVR 8 -5.870 3.567 -5.993 72 1HG UVR 8 1HG UVR 8 -6.263 3.485 -4.078 73 2HG UVR 8 2HG UVR 8 -7.724 3.974 -4.969 74 1HD UVR 8 1HD UVR 8 -8.945 2.227 -4.147 75 2HD UVR 8 2HD UVR 8 -7.669 1.016 -4.416 76 1HE UVR 8 1HE UVR 8 -8.478 1.891 -1.805 77 2HE UVR 8 2HE UVR 8 -7.943 3.067 -2.511 78 2HZ UVR 8 2HZ UVR 8 -5.539 2.211 -2.329 79 1HZ UVR 8 1HZ UVR 8 -6.344 3.610 -2.065 80 H ILE 9 H ILE 9 -2.766 2.863 -6.243 81 HA ILE 9 HA ILE 9 -0.390 1.258 -6.372 82 HB ILE 9 HB ILE 9 -1.248 3.356 -7.694 83 HG12 ILE 9 2HG1 ILE 9 1.437 3.987 -7.733 84 HG13 ILE 9 1HG1 ILE 9 1.442 2.335 -7.112 85 HG21 ILE 9 1HG2 ILE 9 -0.723 5.459 -6.903 86 HG22 ILE 9 2HG2 ILE 9 0.624 4.871 -5.929 87 HG23 ILE 9 3HG2 ILE 9 -1.032 4.647 -5.367 88 HD11 ILE 9 3HD1 ILE 9 0.938 3.254 -9.805 89 HD12 ILE 9 1HD1 ILE 9 -0.459 2.366 -9.194 90 HD13 ILE 9 2HD1 ILE 9 1.132 1.603 -9.217 91 H VAL 10 H VAL 10 -1.607 3.531 -3.974 92 HA VAL 10 HA VAL 10 0.674 4.210 -2.516 93 HB VAL 10 HB VAL 10 -1.000 4.028 -0.537 94 HG11 VAL 10 1HG1 VAL 10 -2.331 5.610 -2.634 95 HG12 VAL 10 2HG1 VAL 10 -0.592 5.888 -2.515 96 HG13 VAL 10 3HG1 VAL 10 -1.623 6.135 -1.105 97 HG21 VAL 10 3HG2 VAL 10 -3.014 3.053 -0.891 98 HG22 VAL 10 1HG2 VAL 10 -2.313 2.373 -2.359 99 HG23 VAL 10 2HG2 VAL 10 -3.222 3.883 -2.433 100 H HIS 11 H HIS 11 -0.772 1.061 -2.889 101 HA HIS 11 HA HIS 11 0.665 -0.071 -0.562 102 HB2 HIS 11 2HB HIS 11 -1.598 -0.692 -2.268 103 HB3 HIS 11 1HB HIS 11 -0.521 -2.083 -2.139 104 HD1 HIS 11 1HD HIS 11 -3.315 -2.041 -0.737 105 HD2 HIS 11 2HD HIS 11 0.269 -1.008 1.123 106 HE1 HIS 11 1HE HIS 11 -3.685 -2.343 1.750 107 H VAL 12 H VAL 12 0.561 -0.650 -4.109 108 HA VAL 12 HA VAL 12 2.843 -2.402 -4.125 109 HB VAL 12 HB VAL 12 2.690 -2.030 -6.572 110 HG11 VAL 12 1HG1 VAL 12 0.676 -3.136 -6.779 111 HG12 VAL 12 2HG1 VAL 12 -0.160 -2.038 -5.680 112 HG13 VAL 12 3HG1 VAL 12 0.901 -3.292 -5.037 113 HG21 VAL 12 3HG2 VAL 12 0.663 -0.425 -7.154 114 HG22 VAL 12 1HG2 VAL 12 2.282 0.235 -6.919 115 HG23 VAL 12 2HG2 VAL 12 1.095 0.326 -5.617 116 H GLY 13 H GLY 13 2.588 0.956 -3.719 117 HA2 GLY 13 2HA GLY 13 5.369 1.407 -4.704 118 HA3 GLY 13 1HA GLY 13 4.186 2.684 -4.414 119 H LYS 14 H LYS 14 3.285 2.336 -1.940 120 HA LYS 14 HA LYS 14 5.129 3.372 -0.174 121 HB2 LYS 14 2HB LYS 14 2.781 3.194 0.338 122 HB3 LYS 14 1HB LYS 14 2.845 1.433 0.265 123 HG2 LYS 14 2HG LYS 14 4.622 2.883 2.200 124 HG3 LYS 14 1HG LYS 14 2.921 2.646 2.601 125 HD2 LYS 14 2HD LYS 14 4.104 0.210 1.539 126 HD3 LYS 14 1HD LYS 14 4.982 0.786 2.957 127 HE2 LYS 14 2HE LYS 14 2.616 1.084 4.023 128 HE3 LYS 14 1HE LYS 14 2.083 -0.021 2.741 129 HZ1 LYS 14 3HZ LYS 14 4.192 -1.334 3.446 130 HZ2 LYS 14 1HZ LYS 14 2.767 -1.497 4.351 131 HZ3 LYS 14 2HZ LYS 14 4.017 -0.491 4.910 132 H THR 15 H THR 15 4.921 0.037 -1.239 133 HA THR 15 HA THR 15 6.416 -1.158 0.879 134 HB THR 15 HB THR 15 4.926 -2.022 -1.163 135 HG1 THR 15 1HG THR 15 6.168 -3.117 0.698 136 HG21 THR 15 3HG2 THR 15 6.440 -3.202 -2.799 137 HG22 THR 15 1HG2 THR 15 7.773 -2.238 -2.166 138 HG23 THR 15 2HG2 THR 15 6.412 -1.448 -2.965 139 H ILE 16 H ILE 16 7.417 -0.012 -2.367 140 HA ILE 16 HA ILE 16 10.157 -0.586 -2.145 141 HB ILE 16 HB ILE 16 8.396 0.754 -3.876 142 HG12 ILE 16 2HG1 ILE 16 10.328 0.704 -5.430 143 HG13 ILE 16 1HG1 ILE 16 11.397 0.367 -4.068 144 HG21 ILE 16 1HG2 ILE 16 9.248 2.852 -2.567 145 HG22 ILE 16 2HG2 ILE 16 9.252 2.899 -4.330 146 HG23 ILE 16 3HG2 ILE 16 10.751 2.590 -3.454 147 HD11 ILE 16 3HD1 ILE 16 9.802 -1.479 -5.587 148 HD12 ILE 16 1HD1 ILE 16 9.250 -1.487 -3.911 149 HD13 ILE 16 2HD1 ILE 16 10.941 -1.824 -4.284 150 H HIS 17 H HIS 17 8.181 1.924 -0.836 151 HA HIS 17 HA HIS 17 10.159 3.728 0.089 152 HB2 HIS 17 2HB HIS 17 7.332 3.236 0.311 153 HB3 HIS 17 1HB HIS 17 7.972 3.645 1.903 154 HD1 HIS 17 1HD HIS 17 9.951 5.762 1.497 155 HD2 HIS 17 2HD HIS 17 6.543 5.580 -0.898 156 HE1 HIS 17 1HE HIS 17 9.626 8.082 0.536 157 H ARG 18 H ARG 18 8.399 1.197 1.923 158 HA ARG 18 HA ARG 18 10.197 1.344 4.150 159 HB2 ARG 18 2HB ARG 18 8.240 -0.811 3.364 160 HB3 ARG 18 1HB ARG 18 8.870 -0.504 4.985 161 HG2 ARG 18 2HG ARG 18 7.636 1.842 3.690 162 HG3 ARG 18 1HG ARG 18 6.515 0.522 4.030 163 HD2 ARG 18 2HD ARG 18 6.690 0.790 6.301 164 HD3 ARG 18 1HD ARG 18 8.417 1.192 6.217 165 HE ARG 18 HE ARG 18 7.374 3.370 5.022 166 HH11 ARG 18 1HH2 ARG 18 4.726 2.508 6.327 167 HH12 ARG 18 2HH2 ARG 18 4.739 3.491 7.753 168 HH21 ARG 18 1HH1 ARG 18 8.107 4.271 7.509 169 HH22 ARG 18 2HH1 ARG 18 6.652 4.488 8.423 170 H LEU 19 H LEU 19 10.147 -0.376 1.165 171 HA LEU 19 HA LEU 19 11.615 -2.681 1.618 172 HB2 LEU 19 2HB LEU 19 10.804 -1.226 -0.539 173 HB3 LEU 19 1HB LEU 19 12.549 -0.984 -0.620 174 HG LEU 19 HG LEU 19 11.099 -3.645 -0.536 175 HD11 LEU 19 1HD1 LEU 19 12.424 -2.000 -2.653 176 HD12 LEU 19 2HD1 LEU 19 10.981 -3.009 -2.758 177 HD13 LEU 19 3HD1 LEU 19 12.580 -3.754 -2.748 178 HD21 LEU 19 3HD2 LEU 19 13.503 -4.490 -0.931 179 HD22 LEU 19 1HD2 LEU 19 13.102 -3.966 0.705 180 HD23 LEU 19 2HD2 LEU 19 14.024 -2.905 -0.360 181 H VAL 20 H VAL 20 12.728 0.626 1.489 182 HA VAL 20 HA VAL 20 15.483 -0.130 2.107 183 HB VAL 20 HB VAL 20 15.166 1.607 0.467 184 HG11 VAL 20 1HG1 VAL 20 12.967 2.372 0.810 185 HG12 VAL 20 2HG1 VAL 20 13.946 3.750 1.313 186 HG13 VAL 20 3HG1 VAL 20 13.242 2.679 2.524 187 HG21 VAL 20 3HG2 VAL 20 16.485 2.056 2.953 188 HG22 VAL 20 1HG2 VAL 20 15.756 3.580 2.450 189 HG23 VAL 20 2HG2 VAL 20 16.879 2.743 1.378 190 H THR 21 H THR 21 12.621 1.037 3.605 191 HA THR 21 HA THR 21 13.979 1.817 6.080 192 HB THR 21 HB THR 21 11.021 1.811 5.746 193 HG1 THR 21 1HG THR 21 11.559 2.575 3.773 194 HG21 THR 21 3HG2 THR 21 12.831 4.047 6.645 195 HG22 THR 21 1HG2 THR 21 12.396 2.727 7.731 196 HG23 THR 21 2HG2 THR 21 11.140 3.768 7.061 197 H GLY 22 H GLY 22 14.436 -0.812 5.868 198 HA2 GLY 22 1HA GLY 22 12.578 -2.742 6.506 199 HA3 GLY 22 2HA GLY 22 14.204 -2.752 7.188 Start of MODEL 19 1 H1 PHE 1 1HT PHE 1 14.822 8.071 -16.271 2 H2 PHE 1 2HT PHE 1 16.237 7.567 -15.479 3 H3 PHE 1 3HT PHE 1 14.767 7.644 -14.630 4 HA PHE 1 HA PHE 1 15.099 5.866 -16.978 5 HB2 PHE 1 2HB PHE 1 16.668 5.815 -14.703 6 HB3 PHE 1 1HB PHE 1 15.358 4.711 -14.284 7 HD1 PHE 1 2HD PHE 1 17.705 5.504 -17.100 8 HD2 PHE 1 1HD PHE 1 15.439 2.496 -15.033 9 HE1 PHE 1 2HE PHE 1 18.717 3.753 -18.537 10 HE2 PHE 1 1HE PHE 1 16.451 0.746 -16.469 11 HZ PHE 1 HZ PHE 1 18.089 1.376 -18.221 12 H PHE 2 H PHE 2 12.989 7.570 -15.285 13 HA PHE 2 HA PHE 2 10.828 5.624 -15.600 14 HB2 PHE 2 2HB PHE 2 10.307 5.439 -13.233 15 HB3 PHE 2 1HB PHE 2 12.000 5.000 -13.458 16 HD1 PHE 2 2HD PHE 2 9.730 7.771 -12.448 17 HD2 PHE 2 1HD PHE 2 13.753 6.267 -12.457 18 HE1 PHE 2 2HE PHE 2 10.406 9.571 -10.882 19 HE2 PHE 2 1HE PHE 2 14.429 8.066 -10.891 20 HZ PHE 2 HZ PHE 2 12.757 9.719 -10.103 21 H HIS 3 H HIS 3 8.784 6.718 -14.326 22 HA HIS 3 HA HIS 3 8.802 9.617 -14.150 23 HB2 HIS 3 2HB HIS 3 9.051 9.038 -16.633 24 HB3 HIS 3 1HB HIS 3 7.406 8.409 -16.548 25 HD1 HIS 3 1HD HIS 3 6.314 10.257 -17.958 26 HD2 HIS 3 2HD HIS 3 8.419 11.734 -14.677 27 HE1 HIS 3 1HE HIS 3 5.710 12.709 -17.766 28 H HIS 4 H HIS 4 7.755 7.149 -12.764 29 HA HIS 4 HA HIS 4 5.070 6.603 -12.919 30 HB2 HIS 4 2HB HIS 4 7.064 6.952 -10.745 31 HB3 HIS 4 1HB HIS 4 5.376 6.890 -10.237 32 HD1 HIS 4 1HD HIS 4 7.086 4.536 -9.430 33 HD2 HIS 4 2HD HIS 4 5.062 4.671 -13.073 34 HE1 HIS 4 1HE HIS 4 6.824 2.135 -10.194 35 H ILE 5 H ILE 5 3.534 8.152 -13.464 36 HA ILE 5 HA ILE 5 3.623 10.877 -12.432 37 HB ILE 5 HB ILE 5 1.222 9.575 -13.698 38 HG12 ILE 5 2HG1 ILE 5 2.784 10.461 -15.828 39 HG13 ILE 5 1HG1 ILE 5 3.934 9.600 -14.805 40 HG21 ILE 5 1HG2 ILE 5 1.989 11.967 -14.962 41 HG22 ILE 5 2HG2 ILE 5 2.266 12.230 -13.241 42 HG23 ILE 5 3HG2 ILE 5 0.669 11.749 -13.815 43 HD11 ILE 5 3HD1 ILE 5 3.067 7.610 -15.404 44 HD12 ILE 5 1HD1 ILE 5 2.066 8.462 -16.581 45 HD13 ILE 5 2HD1 ILE 5 1.442 8.139 -14.963 46 H PHE 6 H PHE 6 0.551 10.724 -12.179 47 HA PHE 6 HA PHE 6 0.510 10.291 -9.273 48 HB2 PHE 6 2HB PHE 6 -0.640 12.085 -10.835 49 HB3 PHE 6 1HB PHE 6 -1.881 10.843 -11.005 50 HD1 PHE 6 2HD PHE 6 -1.369 9.647 -8.167 51 HD2 PHE 6 1HD PHE 6 -2.062 13.636 -9.601 52 HE1 PHE 6 2HE PHE 6 -2.297 10.280 -5.956 53 HE2 PHE 6 1HE PHE 6 -2.990 14.269 -7.391 54 HZ PHE 6 HZ PHE 6 -3.106 12.591 -5.568 55 H ARG 7 H ARG 7 1.074 7.842 -9.965 56 HA ARG 7 HA ARG 7 -0.717 6.044 -11.084 57 HB2 ARG 7 2HB ARG 7 1.348 6.043 -8.970 58 HB3 ARG 7 1HB ARG 7 0.218 4.692 -8.884 59 HG2 ARG 7 2HG ARG 7 0.734 4.766 -11.566 60 HG3 ARG 7 1HG ARG 7 2.285 5.292 -10.908 61 HD2 ARG 7 2HD ARG 7 2.070 3.272 -9.294 62 HD3 ARG 7 1HD ARG 7 0.831 2.688 -10.424 63 HE ARG 7 HE ARG 7 3.683 3.201 -11.141 64 HH11 ARG 7 1HH1 ARG 7 0.604 2.866 -12.478 65 HH12 ARG 7 2HH1 ARG 7 1.046 1.633 -13.612 66 HH21 ARG 7 1HH2 ARG 7 4.242 1.226 -12.327 67 HH22 ARG 7 2HH2 ARG 7 3.105 0.704 -13.525 68 2HA UVR 8 2HA UVR 8 -4.551 4.495 -8.973 69 1HA UVR 8 1HA UVR 8 -4.081 5.929 -8.052 70 1HB UVR 8 1HB UVR 8 -1.322 3.476 -10.150 71 2HB UVR 8 2HB UVR 8 -1.604 4.815 -10.693 72 1HG UVR 8 1HG UVR 8 -2.038 3.651 -12.376 73 2HG UVR 8 2HG UVR 8 -3.679 3.297 -11.784 74 1HD UVR 8 1HD UVR 8 -3.855 5.902 -11.383 75 2HD UVR 8 2HD UVR 8 -2.427 6.058 -12.432 76 1HE UVR 8 1HE UVR 8 -4.820 6.258 -13.674 77 2HE UVR 8 2HE UVR 8 -5.033 5.186 -12.690 78 2HZ UVR 8 2HZ UVR 8 -5.101 4.215 -14.920 79 1HZ UVR 8 1HZ UVR 8 -3.924 3.411 -14.118 80 H ILE 9 H ILE 9 -2.224 2.969 -8.029 81 HA ILE 9 HA ILE 9 -3.269 2.159 -5.357 82 HB ILE 9 HB ILE 9 -1.863 0.803 -7.608 83 HG12 ILE 9 2HG1 ILE 9 -3.908 -0.794 -6.944 84 HG13 ILE 9 1HG1 ILE 9 -4.537 0.725 -6.304 85 HG21 ILE 9 1HG2 ILE 9 -0.693 -0.138 -5.790 86 HG22 ILE 9 2HG2 ILE 9 -2.026 -1.263 -6.047 87 HG23 ILE 9 3HG2 ILE 9 -2.111 -0.078 -4.743 88 HD11 ILE 9 3HD1 ILE 9 -4.900 -0.006 -8.865 89 HD12 ILE 9 1HD1 ILE 9 -3.343 0.806 -9.032 90 HD13 ILE 9 2HD1 ILE 9 -4.729 1.682 -8.384 91 H VAL 10 H VAL 10 -2.011 3.693 -4.103 92 HA VAL 10 HA VAL 10 0.871 3.896 -4.372 93 HB VAL 10 HB VAL 10 -1.028 4.577 -2.103 94 HG11 VAL 10 1HG1 VAL 10 1.870 4.880 -2.504 95 HG12 VAL 10 2HG1 VAL 10 0.925 4.986 -1.018 96 HG13 VAL 10 3HG1 VAL 10 1.053 6.387 -2.082 97 HG21 VAL 10 3HG2 VAL 10 -0.338 5.858 -4.697 98 HG22 VAL 10 1HG2 VAL 10 -0.433 6.928 -3.299 99 HG23 VAL 10 2HG2 VAL 10 -1.828 5.953 -3.758 100 H HIS 11 H HIS 11 -1.297 1.713 -2.737 101 HA HIS 11 HA HIS 11 0.227 0.747 -0.588 102 HB2 HIS 11 2HB HIS 11 -2.123 0.141 -1.468 103 HB3 HIS 11 1HB HIS 11 -1.297 -1.003 -2.527 104 HD1 HIS 11 1HD HIS 11 -3.105 -2.254 -0.488 105 HD2 HIS 11 2HD HIS 11 0.872 -1.341 0.366 106 HE1 HIS 11 1HE HIS 11 -2.434 -3.728 1.459 107 H VAL 12 H VAL 12 0.302 -0.441 -3.976 108 HA VAL 12 HA VAL 12 2.421 -2.300 -3.638 109 HB VAL 12 HB VAL 12 1.591 -0.623 -6.026 110 HG11 VAL 12 1HG1 VAL 12 2.403 -3.101 -6.919 111 HG12 VAL 12 2HG1 VAL 12 3.546 -2.769 -5.620 112 HG13 VAL 12 3HG1 VAL 12 3.384 -1.637 -6.961 113 HG21 VAL 12 3HG2 VAL 12 -0.276 -1.888 -4.993 114 HG22 VAL 12 1HG2 VAL 12 0.677 -3.368 -5.100 115 HG23 VAL 12 2HG2 VAL 12 0.151 -2.550 -6.571 116 H GLY 13 H GLY 13 2.410 1.111 -3.622 117 HA2 GLY 13 2HA GLY 13 5.273 1.322 -4.360 118 HA3 GLY 13 1HA GLY 13 4.186 2.680 -4.054 119 H LYS 14 H LYS 14 3.118 1.874 -1.579 120 HA LYS 14 HA LYS 14 4.854 2.912 0.314 121 HB2 LYS 14 2HB LYS 14 2.413 2.321 0.531 122 HB3 LYS 14 1HB LYS 14 2.895 0.637 0.742 123 HG2 LYS 14 2HG LYS 14 4.231 2.670 2.469 124 HG3 LYS 14 1HG LYS 14 2.551 2.273 2.833 125 HD2 LYS 14 2HD LYS 14 3.386 -0.212 2.591 126 HD3 LYS 14 1HD LYS 14 4.971 0.498 2.904 127 HE2 LYS 14 2HE LYS 14 2.519 0.619 4.690 128 HE3 LYS 14 1HE LYS 14 4.098 -0.103 5.061 129 HZ1 LYS 14 3HZ LYS 14 5.076 2.137 4.648 130 HZ2 LYS 14 1HZ LYS 14 4.077 2.061 6.017 131 HZ3 LYS 14 2HZ LYS 14 3.498 2.766 4.584 132 H THR 15 H THR 15 4.758 -0.389 -0.948 133 HA THR 15 HA THR 15 6.414 -1.647 0.985 134 HB THR 15 HB THR 15 6.584 -2.411 -1.893 135 HG1 THR 15 1HG THR 15 4.191 -2.304 -0.383 136 HG21 THR 15 3HG2 THR 15 5.810 -4.606 -0.789 137 HG22 THR 15 1HG2 THR 15 6.060 -3.776 0.747 138 HG23 THR 15 2HG2 THR 15 7.414 -4.012 -0.359 139 H ILE 16 H ILE 16 7.224 -0.076 -2.122 140 HA ILE 16 HA ILE 16 9.998 -0.502 -2.086 141 HB ILE 16 HB ILE 16 8.053 0.945 -3.541 142 HG12 ILE 16 2HG1 ILE 16 10.312 1.294 -4.989 143 HG13 ILE 16 1HG1 ILE 16 10.862 0.050 -3.867 144 HG21 ILE 16 1HG2 ILE 16 8.965 2.923 -2.140 145 HG22 ILE 16 2HG2 ILE 16 8.921 3.120 -3.894 146 HG23 ILE 16 3HG2 ILE 16 10.441 2.737 -3.087 147 HD11 ILE 16 3HD1 ILE 16 9.851 -1.442 -5.227 148 HD12 ILE 16 1HD1 ILE 16 9.000 -0.172 -6.106 149 HD13 ILE 16 2HD1 ILE 16 8.323 -0.814 -4.609 150 H HIS 17 H HIS 17 8.017 1.861 -0.469 151 HA HIS 17 HA HIS 17 10.003 3.596 0.528 152 HB2 HIS 17 2HB HIS 17 7.212 3.089 0.789 153 HB3 HIS 17 1HB HIS 17 7.874 3.212 2.418 154 HD1 HIS 17 1HD HIS 17 9.621 5.395 2.662 155 HD2 HIS 17 2HD HIS 17 6.673 5.574 -0.282 156 HE1 HIS 17 1HE HIS 17 9.371 7.838 2.045 157 H ARG 18 H ARG 18 8.678 0.561 1.818 158 HA ARG 18 HA ARG 18 10.314 0.646 4.201 159 HB2 ARG 18 2HB ARG 18 8.503 -1.385 2.903 160 HB3 ARG 18 1HB ARG 18 9.335 -1.691 4.429 161 HG2 ARG 18 2HG ARG 18 8.106 0.883 4.596 162 HG3 ARG 18 1HG ARG 18 6.898 -0.263 4.014 163 HD2 ARG 18 2HD ARG 18 6.844 -1.400 6.001 164 HD3 ARG 18 1HD ARG 18 8.596 -1.246 6.243 165 HE ARG 18 HE ARG 18 7.963 1.287 6.649 166 HH11 ARG 18 1HH1 ARG 18 5.181 -0.459 6.746 167 HH12 ARG 18 2HH1 ARG 18 4.813 -0.175 8.415 168 HH21 ARG 18 1HH2 ARG 18 7.909 1.209 9.138 169 HH22 ARG 18 2HH2 ARG 18 6.358 0.767 9.769 170 H LEU 19 H LEU 19 10.697 -0.442 0.974 171 HA LEU 19 HA LEU 19 12.537 -2.569 1.328 172 HB2 LEU 19 2HB LEU 19 11.829 -2.476 -0.849 173 HB3 LEU 19 1HB LEU 19 11.592 -0.733 -0.783 174 HG LEU 19 HG LEU 19 14.020 -0.390 -1.009 175 HD11 LEU 19 1HD1 LEU 19 14.827 -2.982 -1.888 176 HD12 LEU 19 2HD1 LEU 19 14.069 -3.167 -0.306 177 HD13 LEU 19 3HD1 LEU 19 15.434 -2.068 -0.507 178 HD21 LEU 19 3HD2 LEU 19 12.282 -1.623 -2.989 179 HD22 LEU 19 1HD2 LEU 19 13.975 -1.999 -3.310 180 HD23 LEU 19 2HD2 LEU 19 13.452 -0.319 -3.196 181 H VAL 20 H VAL 20 12.820 0.841 1.625 182 HA VAL 20 HA VAL 20 15.761 0.690 1.819 183 HB VAL 20 HB VAL 20 15.111 2.372 0.286 184 HG11 VAL 20 1HG1 VAL 20 12.738 2.428 0.653 185 HG12 VAL 20 2HG1 VAL 20 13.326 4.065 0.937 186 HG13 VAL 20 3HG1 VAL 20 12.948 3.016 2.303 187 HG21 VAL 20 3HG2 VAL 20 15.589 4.511 1.459 188 HG22 VAL 20 1HG2 VAL 20 16.705 3.232 1.941 189 HG23 VAL 20 2HG2 VAL 20 15.371 3.685 3.002 190 H THR 21 H THR 21 12.994 0.699 3.688 191 HA THR 21 HA THR 21 13.176 2.290 5.866 192 HB THR 21 HB THR 21 11.651 0.337 5.482 193 HG1 THR 21 1HG THR 21 12.976 0.608 7.966 194 HG21 THR 21 3HG2 THR 21 12.346 -1.875 6.015 195 HG22 THR 21 1HG2 THR 21 13.842 -1.306 6.755 196 HG23 THR 21 2HG2 THR 21 13.633 -1.215 5.006 197 H GLY 22 H GLY 22 15.477 -0.205 5.063 198 HA2 GLY 22 1HA GLY 22 17.569 0.911 6.595 199 HA3 GLY 22 2HA GLY 22 16.852 -0.409 7.512 Start of MODEL 20 1 H1 PHE 1 1HT PHE 1 17.043 12.239 -11.748 2 H2 PHE 1 2HT PHE 1 17.348 12.487 -10.095 3 H3 PHE 1 3HT PHE 1 16.832 13.779 -11.070 4 HA PHE 1 HA PHE 1 15.273 11.643 -9.846 5 HB2 PHE 1 2HB PHE 1 14.975 14.542 -10.674 6 HB3 PHE 1 1HB PHE 1 13.660 13.620 -9.944 7 HD1 PHE 1 1HD PHE 1 14.115 12.467 -7.683 8 HD2 PHE 1 2HD PHE 1 16.628 15.541 -9.323 9 HE1 PHE 1 1HE PHE 1 15.064 12.891 -5.432 10 HE2 PHE 1 2HE PHE 1 17.577 15.965 -7.071 11 HZ PHE 1 HZ PHE 1 16.795 14.640 -5.125 12 H PHE 2 H PHE 2 13.681 10.502 -10.936 13 HA PHE 2 HA PHE 2 12.925 11.337 -13.693 14 HB2 PHE 2 2HB PHE 2 14.421 8.887 -12.823 15 HB3 PHE 2 1HB PHE 2 13.294 8.747 -14.172 16 HD1 PHE 2 1HD PHE 2 13.467 10.853 -15.884 17 HD2 PHE 2 2HD PHE 2 16.624 9.384 -13.370 18 HE1 PHE 2 1HE PHE 2 15.146 11.876 -17.395 19 HE2 PHE 2 2HE PHE 2 18.303 10.407 -14.881 20 HZ PHE 2 HZ PHE 2 17.564 11.654 -16.893 21 H HIS 3 H HIS 3 10.881 11.773 -12.454 22 HA HIS 3 HA HIS 3 9.420 9.714 -11.087 23 HB2 HIS 3 2HB HIS 3 8.302 12.070 -12.630 24 HB3 HIS 3 1HB HIS 3 7.635 11.318 -11.180 25 HD1 HIS 3 1HD HIS 3 9.775 14.050 -12.245 26 HD2 HIS 3 2HD HIS 3 9.491 11.660 -8.840 27 HE1 HIS 3 1HE HIS 3 11.042 15.258 -10.414 28 H HIS 4 H HIS 4 10.105 10.171 -14.409 29 HA HIS 4 HA HIS 4 7.760 9.195 -15.661 30 HB2 HIS 4 2HB HIS 4 10.644 8.805 -16.493 31 HB3 HIS 4 1HB HIS 4 9.239 8.898 -17.555 32 HD1 HIS 4 1HD HIS 4 8.016 11.336 -15.733 33 HD2 HIS 4 2HD HIS 4 11.702 11.214 -17.677 34 HE1 HIS 4 1HE HIS 4 8.727 13.743 -16.072 35 H ILE 5 H ILE 5 9.906 7.565 -13.571 36 HA ILE 5 HA ILE 5 10.251 5.003 -14.540 37 HB ILE 5 HB ILE 5 9.813 4.422 -12.051 38 HG12 ILE 5 2HG1 ILE 5 10.029 7.225 -11.309 39 HG13 ILE 5 1HG1 ILE 5 8.516 6.895 -12.153 40 HG21 ILE 5 1HG2 ILE 5 12.054 4.721 -12.662 41 HG22 ILE 5 2HG2 ILE 5 11.830 5.930 -11.399 42 HG23 ILE 5 3HG2 ILE 5 11.804 6.412 -13.096 43 HD11 ILE 5 3HD1 ILE 5 8.332 6.560 -9.686 44 HD12 ILE 5 1HD1 ILE 5 9.552 5.291 -9.798 45 HD13 ILE 5 2HD1 ILE 5 7.994 5.090 -10.600 46 H PHE 6 H PHE 6 8.930 3.015 -13.815 47 HA PHE 6 HA PHE 6 6.172 3.324 -14.797 48 HB2 PHE 6 2HB PHE 6 7.854 1.497 -15.381 49 HB3 PHE 6 1HB PHE 6 7.605 0.868 -13.751 50 HD1 PHE 6 1HD PHE 6 5.249 0.226 -13.032 51 HD2 PHE 6 2HD PHE 6 6.294 1.065 -17.113 52 HE1 PHE 6 1HE PHE 6 3.193 -0.932 -13.797 53 HE2 PHE 6 2HE PHE 6 4.238 -0.092 -17.878 54 HZ PHE 6 HZ PHE 6 2.688 -1.091 -16.220 55 H ARG 7 H ARG 7 5.209 4.517 -12.999 56 HA ARG 7 HA ARG 7 5.155 3.139 -10.363 57 HB2 ARG 7 2HB ARG 7 4.360 5.265 -9.561 58 HB3 ARG 7 1HB ARG 7 5.650 5.613 -10.712 59 HG2 ARG 7 2HG ARG 7 4.136 6.990 -11.692 60 HG3 ARG 7 1HG ARG 7 3.444 5.507 -12.351 61 HD2 ARG 7 2HD ARG 7 2.144 5.414 -10.063 62 HD3 ARG 7 1HD ARG 7 2.504 7.151 -10.012 63 HE ARG 7 HE ARG 7 1.512 6.297 -12.614 64 HH11 ARG 7 1HH1 ARG 7 0.461 6.739 -9.380 65 HH12 ARG 7 2HH1 ARG 7 -1.005 7.550 -9.818 66 HH21 ARG 7 1HH2 ARG 7 -0.294 7.570 -13.211 67 HH22 ARG 7 2HH2 ARG 7 -1.433 8.020 -11.986 68 2HA UVR 8 2HA UVR 8 1.158 1.027 -10.136 69 1HA UVR 8 1HA UVR 8 0.699 2.416 -11.130 70 1HB UVR 8 1HB UVR 8 4.029 3.258 -8.590 71 2HB UVR 8 2HB UVR 8 4.132 2.127 -9.529 72 1HG UVR 8 1HG UVR 8 4.531 1.279 -7.462 73 2HG UVR 8 2HG UVR 8 2.836 0.739 -7.511 74 1HD UVR 8 1HD UVR 8 3.314 -0.826 -9.081 75 2HD UVR 8 2HD UVR 8 4.077 0.346 -10.181 76 1HE UVR 8 1HE UVR 8 5.741 -0.696 -7.724 77 2HE UVR 8 2HE UVR 8 5.798 0.398 -8.707 78 2HZ UVR 8 2HZ UVR 8 6.955 0.159 -9.965 79 1HZ UVR 8 1HZ UVR 8 7.280 -1.354 -9.436 80 H ILE 9 H ILE 9 0.283 0.794 -8.248 81 HA ILE 9 HA ILE 9 -1.740 2.706 -7.253 82 HB ILE 9 HB ILE 9 -1.111 -0.158 -7.080 83 HG12 ILE 9 2HG1 ILE 9 -3.817 0.180 -6.789 84 HG13 ILE 9 1HG1 ILE 9 -3.357 1.637 -7.673 85 HG21 ILE 9 1HG2 ILE 9 -2.373 -0.541 -5.028 86 HG22 ILE 9 2HG2 ILE 9 -2.643 1.192 -4.842 87 HG23 ILE 9 3HG2 ILE 9 -1.016 0.529 -4.676 88 HD11 ILE 9 3HD1 ILE 9 -3.305 0.396 -9.551 89 HD12 ILE 9 1HD1 ILE 9 -3.545 -1.089 -8.632 90 HD13 ILE 9 2HD1 ILE 9 -1.916 -0.459 -8.880 91 H VAL 10 H VAL 10 -1.827 2.894 -4.741 92 HA VAL 10 HA VAL 10 0.713 3.990 -3.818 93 HB VAL 10 HB VAL 10 -2.013 3.531 -2.572 94 HG11 VAL 10 1HG1 VAL 10 -0.871 3.766 -0.610 95 HG12 VAL 10 2HG1 VAL 10 -0.841 5.471 -1.058 96 HG13 VAL 10 3HG1 VAL 10 0.549 4.443 -1.406 97 HG21 VAL 10 3HG2 VAL 10 -0.676 5.691 -4.116 98 HG22 VAL 10 1HG2 VAL 10 -1.645 6.214 -2.736 99 HG23 VAL 10 2HG2 VAL 10 -2.387 5.265 -4.026 100 H HIS 11 H HIS 11 -1.321 1.202 -2.864 101 HA HIS 11 HA HIS 11 0.125 0.195 -0.701 102 HB2 HIS 11 2HB HIS 11 -2.014 -0.631 -1.835 103 HB3 HIS 11 1HB HIS 11 -0.969 -1.477 -2.977 104 HD1 HIS 11 1HD HIS 11 1.043 -2.918 -1.553 105 HD2 HIS 11 2HD HIS 11 -2.652 -2.284 0.272 106 HE1 HIS 11 1HE HIS 11 0.846 -4.648 0.286 107 H VAL 12 H VAL 12 0.718 -0.575 -4.159 108 HA VAL 12 HA VAL 12 3.076 -2.135 -3.684 109 HB VAL 12 HB VAL 12 2.390 -0.537 -6.160 110 HG11 VAL 12 1HG1 VAL 12 3.774 -3.162 -5.593 111 HG12 VAL 12 2HG1 VAL 12 4.453 -1.726 -6.360 112 HG13 VAL 12 3HG1 VAL 12 3.247 -2.694 -7.210 113 HG21 VAL 12 3HG2 VAL 12 1.103 -2.779 -6.684 114 HG22 VAL 12 1HG2 VAL 12 0.309 -1.518 -5.741 115 HG23 VAL 12 2HG2 VAL 12 1.019 -2.913 -4.928 116 H GLY 13 H GLY 13 2.534 1.181 -3.372 117 HA2 GLY 13 2HA GLY 13 5.262 1.992 -4.151 118 HA3 GLY 13 1HA GLY 13 3.995 3.066 -3.555 119 H LYS 14 H LYS 14 3.303 2.366 -1.167 120 HA LYS 14 HA LYS 14 5.256 3.071 0.645 121 HB2 LYS 14 2HB LYS 14 2.663 2.302 0.737 122 HB3 LYS 14 1HB LYS 14 3.416 0.894 1.486 123 HG2 LYS 14 2HG LYS 14 2.956 2.397 3.281 124 HG3 LYS 14 1HG LYS 14 4.686 2.549 2.973 125 HD2 LYS 14 2HD LYS 14 4.354 4.577 1.705 126 HD3 LYS 14 1HD LYS 14 2.602 4.380 1.757 127 HE2 LYS 14 2HE LYS 14 2.453 5.051 3.976 128 HE3 LYS 14 1HE LYS 14 4.096 4.495 4.359 129 HZ1 LYS 14 3HZ LYS 14 3.627 7.024 3.983 130 HZ2 LYS 14 1HZ LYS 14 3.738 6.601 2.344 131 HZ3 LYS 14 2HZ LYS 14 5.051 6.317 3.385 132 H THR 15 H THR 15 4.699 -0.172 -0.703 133 HA THR 15 HA THR 15 6.422 -1.643 0.996 134 HB THR 15 HB THR 15 5.713 -1.948 -1.941 135 HG1 THR 15 1HG THR 15 3.865 -2.350 -1.045 136 HG21 THR 15 3HG2 THR 15 7.751 -3.242 -1.115 137 HG22 THR 15 1HG2 THR 15 6.446 -4.215 -1.793 138 HG23 THR 15 2HG2 THR 15 6.649 -4.108 -0.045 139 H ILE 16 H ILE 16 7.064 -0.099 -2.159 140 HA ILE 16 HA ILE 16 9.808 -0.667 -2.340 141 HB ILE 16 HB ILE 16 7.843 0.816 -3.686 142 HG12 ILE 16 2HG1 ILE 16 9.836 1.109 -5.355 143 HG13 ILE 16 1HG1 ILE 16 10.728 0.136 -4.186 144 HG21 ILE 16 1HG2 ILE 16 10.146 2.580 -2.814 145 HG22 ILE 16 2HG2 ILE 16 8.418 2.903 -2.669 146 HG23 ILE 16 3HG2 ILE 16 9.187 2.914 -4.257 147 HD11 ILE 16 3HD1 ILE 16 8.283 -1.189 -4.461 148 HD12 ILE 16 1HD1 ILE 16 9.822 -1.682 -5.168 149 HD13 ILE 16 2HD1 ILE 16 8.699 -0.695 -6.102 150 H HIS 17 H HIS 17 8.210 2.148 -0.968 151 HA HIS 17 HA HIS 17 10.405 3.570 0.010 152 HB2 HIS 17 2HB HIS 17 7.551 3.447 0.338 153 HB3 HIS 17 1HB HIS 17 8.292 3.675 1.922 154 HD1 HIS 17 1HD HIS 17 6.912 5.717 -0.494 155 HD2 HIS 17 2HD HIS 17 10.663 5.749 1.326 156 HE1 HIS 17 1HE HIS 17 7.828 8.062 -0.781 157 H ARG 18 H ARG 18 8.404 1.257 1.876 158 HA ARG 18 HA ARG 18 10.077 1.105 4.135 159 HB2 ARG 18 2HB ARG 18 8.262 -0.973 2.896 160 HB3 ARG 18 1HB ARG 18 8.800 -0.957 4.576 161 HG2 ARG 18 2HG ARG 18 7.679 1.611 3.871 162 HG3 ARG 18 1HG ARG 18 6.527 0.326 3.507 163 HD2 ARG 18 2HD ARG 18 7.979 0.242 6.136 164 HD3 ARG 18 1HD ARG 18 6.604 1.348 5.945 165 HE ARG 18 HE ARG 18 5.815 -1.131 4.842 166 HH11 ARG 18 1HH1 ARG 18 5.891 0.666 7.709 167 HH12 ARG 18 2HH1 ARG 18 5.333 -0.621 8.724 168 HH21 ARG 18 1HH2 ARG 18 5.468 -3.012 6.215 169 HH22 ARG 18 2HH2 ARG 18 5.093 -2.704 7.878 170 H LEU 19 H LEU 19 10.303 -0.395 1.023 171 HA LEU 19 HA LEU 19 11.917 -2.620 1.480 172 HB2 LEU 19 2HB LEU 19 10.935 -1.244 -0.659 173 HB3 LEU 19 1HB LEU 19 12.658 -0.890 -0.797 174 HG LEU 19 HG LEU 19 11.579 -3.691 -0.424 175 HD11 LEU 19 1HD1 LEU 19 11.864 -1.997 -2.857 176 HD12 LEU 19 2HD1 LEU 19 10.748 -3.324 -2.535 177 HD13 LEU 19 3HD1 LEU 19 12.418 -3.666 -2.984 178 HD21 LEU 19 3HD2 LEU 19 13.789 -4.381 -0.985 179 HD22 LEU 19 1HD2 LEU 19 14.003 -3.046 0.147 180 HD23 LEU 19 2HD2 LEU 19 14.219 -2.778 -1.583 181 H VAL 20 H VAL 20 12.781 0.755 1.455 182 HA VAL 20 HA VAL 20 15.616 0.124 1.908 183 HB VAL 20 HB VAL 20 15.270 1.755 0.211 184 HG11 VAL 20 1HG1 VAL 20 13.271 2.922 2.156 185 HG12 VAL 20 2HG1 VAL 20 12.977 2.343 0.516 186 HG13 VAL 20 3HG1 VAL 20 13.878 3.836 0.777 187 HG21 VAL 20 3HG2 VAL 20 17.006 2.382 1.843 188 HG22 VAL 20 1HG2 VAL 20 15.791 3.211 2.814 189 HG23 VAL 20 2HG2 VAL 20 16.200 3.816 1.207 190 H THR 21 H THR 21 12.844 0.798 3.652 191 HA THR 21 HA THR 21 13.181 2.509 5.690 192 HB THR 21 HB THR 21 11.401 0.767 5.409 193 HG1 THR 21 1HG THR 21 12.312 0.446 8.012 194 HG21 THR 21 3HG2 THR 21 12.880 -1.158 7.090 195 HG22 THR 21 1HG2 THR 21 13.465 -1.017 5.432 196 HG23 THR 21 2HG2 THR 21 11.783 -1.450 5.740 197 H GLY 22 H GLY 22 15.486 2.855 5.909 198 HA2 GLY 22 1HA GLY 22 17.510 1.144 6.632 199 HA3 GLY 22 2HA GLY 22 17.371 2.753 7.339