*HEADER ANTIMICROBIAL PROTEIN 18-AUG-09 SMS20098 *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: PIS-1[PG], PISCIDIN-1; *COMPND 5 ENGINEERED: YES; *COMPND 6 OTHER_DETAILS: PISCIDIN 1 ANALOGUE *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[PG], ANTIMICROBIAL PEPTIDE, PISCIDIN 1, CELL SELECTIVITY, *KEYWDS 2 ANTIMICROBIAL PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.-K.KIM, S.-A.LEE, J.-Y.LEE, Y.KIM ! Pis-PG in 150mM DPC at 313K set message=off end ! w 4.0 2.2 1.0 ! m 3.0 1.2 0.3 ! s 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 1.2 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 assign (resid 22 and name N )(resid 18 and name O ) 3.3 0.8 0.2 ! intra 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 0.3 ! M assign (residue 3 and name HD#) (residue 3 and name HA) 3.0 1.2 0.3 ! M assign (residue 3 and name HD#) (residue 3 and name HB2)3.0 1.2 0.3 ! M 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 5 and name HD#) (residue 5 and name HA) 3.0 1.2 1.3! M assign (residue 5 and name HN) (residue 5 and name HA) 2.5 0.7 0.2 ! S 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 HB) 3.0 1.2 0.3 ! M 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 HG11) 4.0 2.2 1.0 ! W assign (residue 6 and name HD#) (residue 6 and name HA) 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 HA) 3.0 1.2 0.3 ! M assign (residue 6 and name HN) (residue 6 and name HB1) 3.0 1.2 1.3! M assign (residue 6 and name HN) (residue 6 and name HB2) 3.0 1.2 1.3! M assign (residue 7 and name HD#) (residue 7 and name HB1) 3.0 1.2 0.8 ! M assign (residue 7 and name HG#) (residue 7 and name HD#) 3.0 1.2 0.3 ! M assign (residue 7 and name HN) (residue 7 and name HB2) 3.0 1.2 1.3! M assign (residue 7 and name HN) (residue 7 and name HG#) 3.0 1.2 1.3! M assign (residue 7 and name HN) (residue 7 and name HB1) 3.0 1.2 0.3 ! M assign (residue 7 and name HE#) (residue 7 and name HA) 4.0 2.2 1.0 ! W assign (residue 7 and name HE#) (residue 7 and name HB1) 4.0 2.2 1.0 ! W assign (residue 7 and name HE#) (residue 7 and name HB2) 4.0 2.2 1.0 ! W assign (residue 7 and name HE#) (residue 7 and name HG#) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 8 and name HA) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 8 and name HB1) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 8 and name HB2) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 8 and name HG1) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 8 and name HG2) 4.0 2.2 1.0 ! W 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 0.3 ! M assign (residue 9 and name HN) (residue 9 and name HG1#) 3.0 1.2 1.3! M assign (residue 9 and name HN) (residue 9 and name HD#) 3.0 1.2 1.3! M assign (residue 10 and name HN) (residue 10 and name HA) 2.5 0.7 0.2 ! S assign (residue 10 and name HN) (residue 10 and name HG1#) 4.0 2.2 1.0 ! W assign (residue 10 and name HN) (residue 10 and name HG2#) 4.0 2.2 1.0 ! W assign (residue 10 and name HN) (residue 10 and name HB) 3.0 1.2 0.3 ! M assign (residue 11 and name HD#) (residue 11 and name HA) 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 HB2) 3.0 1.2 0.3 ! M assign (residue 11 and name HN) (residue 11 and name HB1) 4.0 2.2 1.0 ! W assign (residue 12 and name HN) (residue 12 and name HG1#)4.0 2.2 1.0 ! W assign (residue 12 and name HN) (residue 12 and name HG2#) 4.0 2.2 1.0 ! W 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 0.3 ! M 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) 2.5 0.7 0.2 ! S 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 HB#) 2.5 0.7 0.7 ! S assign (residue 14 and name HZ#) (residue 14 and name HA) 3.0 1.2 1.3! M assign (residue 14 and name HE#) (residue 14 and name HG#) 3.0 1.2 0.3 ! M assign (residue 14 and name HG#) (residue 14 and name HA) 3.0 1.2 0.8 ! M assign (residue 14 and name HG#) (residue 14 and name HE#) 3.0 1.2 0.3 ! M assign (residue 14 and name HN) (residue 14 and name HE#) 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 14 and name HZ#) (residue 14 and name HE#) 4.0 2.2 1.0 ! W assign (residue 14 and name HN) (residue 14 and name HD#) 3.0 1.2 0.8 ! M assign (residue 15 and name HN) (residue 15 and name HB) 2.5 0.7 1.2 ! S assign (residue 15 and name HN) (residue 15 and name HA) 3.0 1.2 0.3 ! M assign (residue 15 and name HN) (residue 15 and name HG#) 2.5 0.7 1.2 ! S 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 HD#) 3.0 1.2 1.3! M assign (residue 16 and name HN) (residue 16 and name HG2#) 3.0 1.2 1.3! M assign (residue 16 and name HN) (residue 16 and name HB) 3.0 1.2 0.8 ! M assign (residue 16 and name HN) (residue 16 and name HG1#) 3.0 1.2 0.8 ! M assign (residue 17 and name HD#) (residue 17 and name HA) 3.0 1.2 1.3! M assign (residue 17 and name HN) (residue 17 and name HA) 2.5 0.7 0.2 ! S assign (residue 17 and name HD#) (residue 17 and name HB1) 3.0 1.2 1.3! M assign (residue 17 and name HD#) (residue 17 and name HB2) 3.0 1.2 1.3! M 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 HN) (residue 17 and name HD#) 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 HD#) (residue 18 and name HA) 3.0 1.2 0.3 ! M assign (residue 18 and name HG#) (residue 18 and name HD#) 3.0 1.2 1.3! M assign (residue 18 and name HN) (residue 18 and name HG#) 3.0 1.2 1.3! M 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#) 3.0 1.2 0.3 ! M 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 HB1) 3.0 1.2 0.8 ! M assign (residue 19 and name HN) (residue 19 and name HB2) 3.0 1.2 0.8 ! M assign (residue 19 and name HN) (residue 19 and name HD#) 3.0 1.2 1.3! M assign (residue 19 and name HN) (residue 19 and name HG#) 3.0 1.2 1.3! 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 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 1.3! M 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#) 3.0 1.2 0.3 ! M assign (residue 21 and name HN) (residue 21 and name HB) 3.0 1.2 0.3 ! M 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 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 HA) 3.0 1.2 0.3 ! M assign (residue 10 and name HN) (residue 9 and name HA) 3.0 1.2 0.3 ! M assign (residue 11 and name HN) (residue 10 and name HA) 3.0 1.2 0.8 ! M assign (residue 12 and name HN) (residue 11 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 0.8 ! M assign (residue 14 and name HN) (residue 13 and name HA2) 3.0 1.2 0.3 ! M assign (residue 16 and name HN) (residue 15 and name HA) 3.0 1.2 0.3 ! M assign (residue 17 and name HN) (residue 16 and name HA) 3.0 1.2 0.8 ! M assign (residue 18 and name HN) (residue 17 and name HA) 3.0 1.2 0.3 ! 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 0.8 ! 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 10 and name HN) (residue 9 and name HN) 3.0 1.2 0.3 ! M assign (residue 10 and name HN) (residue 11 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 0.3 ! M assign (residue 13 and name HN) (residue 14 and name HN) 3.0 1.2 0.3 ! M assign (residue 15 and name HN) (residue 14 and name HN) 2.5 0.7 0.7 ! S assign (residue 15 and name HN) (residue 16 and name HN) 3.0 1.2 1.3! M assign (residue 17 and name HN) (residue 16 and name HN) 3.0 1.2 0.8 ! M assign (residue 17 and name HN) (residue 18 and name HN) 2.5 0.7 0.7 ! S assign (residue 19 and name HN) (residue 20 and name HN) 3.0 1.2 0.8 ! M assign (residue 20 and name HN) (residue 21 and name HN) 3.0 1.2 0.8 ! M assign (residue 22 and name HN) (residue 21 and name HN) 2.5 0.7 0.2 ! S assign (residue 4 and name HN) (residue 3 and name HD#) 4.0 2.2 1.0 ! W assign (residue 5 and name HD#) (residue 6 and name HA) 4.0 2.2 2.0 ! W assign (residue 5 and name HN) (residue 4 and name HB#) 3.0 1.2 1.3! M assign (residue 6 and name HN) (residue 5 and name HB) 3.0 1.2 1.3! M assign (residue 6 and name HD#) (residue 5 and name HD#) 4.0 2.2 2.0 ! W assign (residue 6 and name HN) (residue 5 and name HD#) 3.0 1.2 1.3! M assign (residue 7 and name HE#) (residue 8 and name HA) 4.0 2.2 2.0 ! W assign (residue 7 and name HE#) (residue 8 and name HD#) 4.0 2.2 2.0 ! W assign (residue 7 and name HG#) (residue 8 and name HD#) 4.0 2.2 1.0 ! W assign (residue 8 and name HD#) (residue 7 and name HA) 3.0 1.2 1.3! M assign (residue 8 and name HD#) (residue 7 and name HB1) 3.0 1.2 1.3! M assign (residue 9 and name HN) (residue 8 and name HD#) 4.0 2.2 1.0 ! W assign (residue 10 and name HN) (residue 9 and name HB) 4.0 2.2 1.0 ! W assign (residue 10 and name HG2#) (residue 9 and name HA) 4.0 2.2 1.0 ! W assign (residue 11 and name HN) (residue 10 and name HG1#) 3.0 1.2 1.3! M assign (residue 11 and name HN) (residue 10 and name HG2#) 3.0 1.2 1.3! M assign (residue 11 and name HN) (residue 10 and name HB) 4.0 2.2 1.0 ! W assign (residue 12 and name HN) (residue 11 and name HB1) 4.0 2.2 1.0 ! W assign (residue 12 and name HN) (residue 11 and name HB2) 3.0 1.2 0.3 ! M assign (residue 13 and name HN) (residue 12 and name HB) 3.0 1.2 0.8 ! M assign (residue 13 and name HN) (residue 12 and name HG1#) 3.0 1.2 1.3! M assign (residue 13 and name HN) (residue 12 and name HG2#) 3.0 1.2 1.3! M assign (residue 14 and name HZ#) (residue 13 and name HA1) 4.0 2.2 1.0 ! W assign (residue 14 and name HZ#) (residue 13 and name HA2) 4.0 2.2 1.0 ! W assign (residue 17 and name HD#) (residue 16 and name HD#) 4.0 2.2 1.5 ! W assign (residue 18 and name HN) (residue 17 and name HB2) 3.0 1.2 1.3! M assign (residue 20 and name HN) (residue 19 and name HB1) 3.0 1.2 1.3! M assign (residue 20 and name HN) (residue 19 and name HB2) 3.0 1.2 1.3! M assign (residue 20 and name HN) (residue 19 and name HG#) 3.0 1.2 1.3! M assign (residue 20 and name HG2#) (residue 21 and name HA) 3.0 1.2 1.3! M 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 HG#) 3.0 1.2 1.3! M ! i+2 assign (residue 3 and name HD#) (residue 1 and name HA) 4.0 2.2 2.0 ! W assign (residue 3 and name HN) (residue 1 and name HD#) 4.0 2.2 1.0 ! W assign (residue 4 and name HN) (residue 6 and name HD#) 4.0 2.2 1.0 ! W assign (residue 5 and name HN) (residue 3 and name HB2) 4.0 2.2 2.0 ! W assign (residue 5 and name HN) (residue 3 and name HB1) 4.0 2.2 1.5 ! W assign (residue 7 and name HE#) (residue 5 and name HB) 4.0 2.2 2.0 ! W assign (residue 9 and name HN) (residue 7 and name HA) 4.0 2.2 2.5 ! W assign (residue 10 and name HN) (residue 8 and name HA) 3.0 1.2 1.3! M assign (residue 10 and name HN) (residue 8 and name HD#) 4.0 2.2 2.0 ! W assign (residue 14 and name HZ#) (residue 12 and name HB) 4.0 2.2 2.0 ! W assign (residue 14 and name HZ#) (residue 12 and name HG2#) 4.0 2.2 2.5 ! W assign (residue 16 and name HD#) (residue 14 and name HE#) 4.0 2.2 2.5 ! W assign (residue 16 and name HN) (residue 14 and name HA) 4.0 2.2 1.0 ! W assign (residue 17 and name HN) (residue 15 and name HB) 4.0 2.2 1.5 ! W assign (residue 17 and name HD#) (residue 15 and name HB) 4.0 2.2 2.5 ! W assign (residue 18 and name HN) (residue 16 and name HA) 4.0 2.2 2.0 ! M assign (residue 20 and name HN) (residue 18 and name HG#) 4.0 2.2 2.0 ! W assign (residue 21 and name HN) (residue 19 and name HG#) 4.0 2.2 1.5 ! W assign (residue 22 and name HN) (residue 20 and name HB) 4.0 2.2 1.5 ! W assign (residue 22 and name HN) (residue 20 and name HG1#) 4.0 2.2 1.5 ! W assign (residue 22 and name HN) (residue 20 and name HA) 4.0 2.2 1.0 ! W ! i+3 assign (residue 6 and name HD#) (residue 9 and name HB) 4.0 2.2 2.5 ! W assign (residue 8 and name HB2) (residue 5 and name HA) 4.0 2.2 2.5 ! W assign (residue 9 and name HB) (residue 6 and name HA) 4.0 2.2 2.5 ! W assign (residue 10 and name HB) (residue 7 and name HA) 4.0 2.2 2.5 ! W assign (residue 10 and name HG2#) (residue 7 and name HA) 4.0 2.2 2.5 ! W assign (residue 10 and name HN) (residue 13 and name HN) 4.0 2.2 1.0 ! W assign (residue 11 and name HB1) (residue 8 and name HA) 4.0 2.2 2.0 ! W assign (residue 11 and name HB2) (residue 8 and name HA) 4.0 2.2 2.0 ! W assign (residue 11 and name HN) (residue 8 and name HA) 4.0 2.2 2.0 ! W assign (residue 12 and name HB) (residue 9 and name HA) 4.0 2.2 1.0 ! W assign (residue 12 and name HG1#) (residue 9 and name HA) 4.0 2.2 2.0 ! W assign (residue 12 and name HG2#) (residue 9 and name HA) 4.0 2.2 2.0 ! W assign (residue 12 and name HN) (residue 9 and name HA) 4.0 2.2 1.0 ! W assign (residue 13 and name HN) (residue 10 and name HG2#) 4.0 2.2 2.0 ! W assign (residue 14 and name HD#) (residue 11 and name HA) 4.0 2.2 1.5 ! W assign (residue 15 and name HN) (residue 12 and name HA) 4.0 2.2 1.0 ! W assign (residue 15 and name HN) (residue 12 and name HG1#) 4.0 2.2 1.5 ! W assign (residue 16 and name HN) (residue 13 and name HA1) 4.0 2.2 1.5 ! W assign (residue 16 and name HN) (residue 13 and name HA2) 4.0 2.2 1.5 ! W assign (residue 16 and name HN) (residue 13 and name HN) 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 HD#) (residue 14 and name HB#) 4.0 2.2 2.0 ! W assign (residue 17 and name HD#) (residue 14 and name HD#) 4.0 2.2 2.5 ! W assign (residue 17 and name HN) (residue 20 and name HN) 4.0 2.2 2.0 ! W assign (residue 18 and name HN) (residue 15 and name HA) 4.0 2.2 1.0 ! W assign (residue 18 and name HB#) (residue 15 and name HB) 4.0 2.2 1.5 ! W assign (residue 18 and name HG#) (residue 15 and name HB) 4.0 2.2 1.5 ! W assign (residue 19 and name HN) (residue 16 and name HA) 4.0 2.2 1.5 ! W assign (residue 19 and name HG#) (residue 22 and name HA2) 4.0 2.2 2.0 ! W assign (residue 20 and name HG1#) (residue 17 and name HA) 4.0 2.2 1.0 ! W assign (residue 20 and name HN) (residue 17 and name HA) 4.0 2.2 1.0 ! W assign (residue 20 and name HB) (residue 17 and name HA) 4.0 2.2 1.0 ! W assign (residue 21 and name HN) (residue 18 and name HB#) 4.0 2.2 2.5 ! W assign (residue 22 and name HN) (residue 19 and name HA) 4.0 2.2 1.0 ! W ! i+4 assign (residue 1 and name HD#) (residue 5 and name HD#) 4.0 2.2 1.5 ! W assign (residue 6 and name HD#) (residue 2 and name HB2) 3.0 1.2 1.3! M assign (residue 6 and name HD#) (residue 2 and name HA) 4.0 2.2 1.0 ! W assign (residue 14 and name HB#) (residue 11 and name HA) 4.0 2.2 1.0 ! W assign (residue 10 and name HG2#) (residue 6 and name HA) 4.0 2.2 2.5 ! W assign (residue 11 and name HN) (residue 7 and name HB1) 4.0 2.2 2.5 ! W assign (residue 14 and name HN) (residue 10 and name HG1#) 4.0 2.2 1.0 ! W assign (residue 14 and name HZ#) (residue 10 and name HB) 4.0 2.2 1.0 ! W assign (residue 16 and name HN) (residue 12 and name HA) 4.0 2.2 1.0 ! W assign (residue 17 and name HN) (residue 13 and name HN) 4.0 2.2 2.5 ! W assign (residue 17 and name HN) (residue 13 and name HA1) 4.0 2.2 2.0 ! W assign (residue 17 and name HN) (residue 13 and name HA2) 4.0 2.2 2.5 ! W assign (residue 18 and name HN) (residue 14 and name HA) 4.0 2.2 2.5 ! W assign (residue 18 and name HG#) (residue 22 and name HA1) 4.0 2.2 1.0 ! W assign (residue 19 and name HN) (residue 15 and name HA) 4.0 2.2 1.0 ! W assign (residue 19 and name HN) (residue 15 and name HB) 4.0 2.2 1.0 ! W assign (residue 20 and name HN) (residue 16 and name HA) 4.0 2.2 1.5 ! W assign (residue 22 and name HN) (residue 18 and name HA) 4.0 2.2 2.0 ! W set message=off echo=off end restraints dihedral reset !! 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 35.0 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 35.0 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 -80.0 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 -80.0 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 -80.0 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 -60.0 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 25.0 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 -60.0 25.0 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 35.0 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 -60.0 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 -60.0 25.0 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 30.0 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 -60.0 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 40.0 2 ! 22 assign (resid 21 and name c ) (resid 22 and name n ) (resid 22 and name ca) (resid 22 and name c ) 1.0 -80.0 40.0 2 end set message=on echo=on end Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 1HT PHE 1 9.429 4.657 8.199 2 H2 PHE 1 2HT PHE 1 7.916 4.030 8.649 3 H3 PHE 1 3HT PHE 1 8.222 5.695 8.784 4 HA PHE 1 HA PHE 1 6.846 4.857 6.779 5 HB2 PHE 1 2HB PHE 1 8.622 6.990 7.389 6 HB3 PHE 1 1HB PHE 1 8.886 6.580 5.694 7 HD1 PHE 1 1HD PHE 1 6.287 7.505 8.190 8 HD2 PHE 1 2HD PHE 1 7.249 7.065 4.027 9 HE1 PHE 1 1HE PHE 1 4.173 8.649 7.581 10 HE2 PHE 1 2HE PHE 1 5.134 8.209 3.418 11 HZ PHE 1 HZ PHE 1 3.596 9.001 5.195 12 H PHE 2 H PHE 2 7.574 4.750 4.315 13 HA PHE 2 HA PHE 2 9.774 2.719 4.088 14 HB2 PHE 2 2HB PHE 2 7.041 2.944 2.805 15 HB3 PHE 2 1HB PHE 2 8.285 1.858 2.186 16 HD1 PHE 2 2HD PHE 2 9.593 0.802 4.530 17 HD2 PHE 2 1HD PHE 2 5.430 1.671 3.926 18 HE1 PHE 2 2HE PHE 2 8.993 -0.874 6.256 19 HE2 PHE 2 1HE PHE 2 4.830 -0.005 5.652 20 HZ PHE 2 HZ PHE 2 6.611 -1.278 6.817 21 H HIS 3 H HIS 3 9.931 2.559 1.348 22 HA HIS 3 HA HIS 3 10.669 5.355 0.545 23 HB2 HIS 3 2HB HIS 3 12.282 3.185 0.949 24 HB3 HIS 3 1HB HIS 3 11.941 3.029 -0.774 25 HD1 HIS 3 1HD HIS 3 14.665 4.080 0.773 26 HD2 HIS 3 2HD HIS 3 11.937 6.319 -1.445 27 HE1 HIS 3 1HE HIS 3 15.898 6.155 0.006 28 H HIS 4 H HIS 4 10.221 2.235 -1.161 29 HA HIS 4 HA HIS 4 7.887 3.164 -2.634 30 HB2 HIS 4 2HB HIS 4 9.872 4.486 -3.537 31 HB3 HIS 4 1HB HIS 4 10.508 2.956 -4.141 32 HD1 HIS 4 1HD HIS 4 7.090 4.677 -4.261 33 HD2 HIS 4 2HD HIS 4 9.711 2.599 -6.749 34 HE1 HIS 4 1HE HIS 4 5.987 4.575 -6.538 35 H ILE 5 H ILE 5 10.677 0.951 -2.564 36 HA ILE 5 HA ILE 5 9.268 -1.104 -4.067 37 HB ILE 5 HB ILE 5 11.650 -0.707 -4.285 38 HG12 ILE 5 2HG1 ILE 5 12.355 -2.959 -4.279 39 HG13 ILE 5 1HG1 ILE 5 11.430 -3.335 -2.828 40 HG21 ILE 5 1HG2 ILE 5 12.416 0.106 -2.244 41 HG22 ILE 5 2HG2 ILE 5 13.035 -1.545 -2.208 42 HG23 ILE 5 3HG2 ILE 5 11.566 -1.134 -1.322 43 HD11 ILE 5 3HD1 ILE 5 10.305 -4.311 -4.757 44 HD12 ILE 5 1HD1 ILE 5 10.302 -2.752 -5.583 45 HD13 ILE 5 2HD1 ILE 5 9.323 -2.984 -4.133 46 H PHE 6 H PHE 6 7.839 -0.418 -1.804 47 HA PHE 6 HA PHE 6 7.941 -2.959 -0.244 48 HB2 PHE 6 2HB PHE 6 7.932 -0.119 0.819 49 HB3 PHE 6 1HB PHE 6 7.609 -1.532 1.823 50 HD1 PHE 6 1HD PHE 6 9.471 -3.534 0.810 51 HD2 PHE 6 2HD PHE 6 10.056 0.677 1.424 52 HE1 PHE 6 1HE PHE 6 11.909 -3.910 1.070 53 HE2 PHE 6 2HE PHE 6 12.493 0.301 1.682 54 HZ PHE 6 HZ PHE 6 13.420 -1.992 1.505 55 H ARG 7 H ARG 7 6.151 -1.044 -2.182 56 HA ARG 7 HA ARG 7 3.632 -1.179 -0.627 57 HB2 ARG 7 2HB ARG 7 2.856 0.412 -2.175 58 HB3 ARG 7 1HB ARG 7 4.570 0.794 -2.042 59 HG2 ARG 7 2HG ARG 7 4.450 -1.151 -4.047 60 HG3 ARG 7 1HG ARG 7 3.064 -0.111 -4.361 61 HD2 ARG 7 2HD ARG 7 4.426 1.503 -5.171 62 HD3 ARG 7 1HD ARG 7 5.361 1.507 -3.662 63 HE ARG 7 HE ARG 7 6.599 -0.490 -4.598 64 HH11 ARG 7 1HH2 ARG 7 4.352 0.039 -6.913 65 HH12 ARG 7 2HH2 ARG 7 5.449 0.338 -8.220 66 HH21 ARG 7 1HH1 ARG 7 8.238 0.579 -6.172 67 HH22 ARG 7 2HH1 ARG 7 7.650 0.643 -7.800 68 HA PRO 8 HA PRO 8 2.860 -3.993 -4.403 69 HB2 PRO 8 2HB PRO 8 4.842 -5.764 -4.996 70 HB3 PRO 8 1HB PRO 8 4.643 -4.209 -5.831 71 HG2 PRO 8 2HG PRO 8 6.574 -4.998 -3.740 72 HG3 PRO 8 1HG PRO 8 6.742 -3.864 -5.084 73 HD2 PRO 8 2HD PRO 8 6.314 -3.155 -2.450 74 HD3 PRO 8 1HD PRO 8 6.021 -2.114 -3.856 75 H ILE 9 H ILE 9 4.248 -4.468 -1.392 76 HA ILE 9 HA ILE 9 2.990 -7.178 -1.152 77 HB ILE 9 HB ILE 9 5.532 -6.014 0.004 78 HG12 ILE 9 2HG1 ILE 9 5.657 -8.691 -1.092 79 HG13 ILE 9 1HG1 ILE 9 4.948 -7.584 -2.268 80 HG21 ILE 9 1HG2 ILE 9 4.087 -8.573 0.755 81 HG22 ILE 9 2HG2 ILE 9 4.376 -7.188 1.807 82 HG23 ILE 9 3HG2 ILE 9 5.731 -8.169 1.249 83 HD11 ILE 9 3HD1 ILE 9 7.562 -7.141 -0.794 84 HD12 ILE 9 1HD1 ILE 9 6.852 -6.045 -1.979 85 HD13 ILE 9 2HD1 ILE 9 7.409 -7.642 -2.479 86 H VAL 10 H VAL 10 2.991 -3.966 -0.106 87 HA VAL 10 HA VAL 10 1.460 -4.700 2.321 88 HB VAL 10 HB VAL 10 3.421 -2.458 1.810 89 HG11 VAL 10 1HG1 VAL 10 1.347 -1.828 3.174 90 HG12 VAL 10 2HG1 VAL 10 2.902 -1.582 3.970 91 HG13 VAL 10 3HG1 VAL 10 1.913 -2.984 4.380 92 HG21 VAL 10 3HG2 VAL 10 4.878 -3.617 3.179 93 HG22 VAL 10 1HG2 VAL 10 3.991 -4.982 2.499 94 HG23 VAL 10 2HG2 VAL 10 3.576 -4.371 4.101 95 H HIS 11 H HIS 11 1.886 -2.317 -0.283 96 HA HIS 11 HA HIS 11 -0.245 -0.573 0.302 97 HB2 HIS 11 2HB HIS 11 1.627 -0.870 -1.646 98 HB3 HIS 11 1HB HIS 11 0.173 -1.331 -2.531 99 HD1 HIS 11 1HD HIS 11 0.708 1.367 0.119 100 HD2 HIS 11 2HD HIS 11 -0.639 0.980 -3.807 101 HE1 HIS 11 1HE HIS 11 -0.088 3.663 -0.595 102 H VAL 12 H VAL 12 -0.359 -3.859 -0.675 103 HA VAL 12 HA VAL 12 -2.844 -3.992 -2.051 104 HB VAL 12 HB VAL 12 -1.156 -5.804 -1.809 105 HG11 VAL 12 1HG1 VAL 12 -0.841 -6.959 0.245 106 HG12 VAL 12 2HG1 VAL 12 -2.259 -6.203 0.973 107 HG13 VAL 12 3HG1 VAL 12 -0.808 -5.248 0.673 108 HG21 VAL 12 3HG2 VAL 12 -3.939 -6.036 -1.816 109 HG22 VAL 12 1HG2 VAL 12 -3.419 -7.170 -0.570 110 HG23 VAL 12 2HG2 VAL 12 -2.791 -7.316 -2.211 111 H GLY 13 H GLY 13 -2.140 -4.187 1.455 112 HA2 GLY 13 2HA GLY 13 -4.896 -4.463 2.189 113 HA3 GLY 13 1HA GLY 13 -3.585 -4.084 3.295 114 H LYS 14 H LYS 14 -2.760 -1.813 1.598 115 HA LYS 14 HA LYS 14 -4.405 0.223 2.817 116 HB2 LYS 14 2HB LYS 14 -2.013 0.102 0.998 117 HB3 LYS 14 1HB LYS 14 -2.797 1.648 1.331 118 HG2 LYS 14 2HG LYS 14 -1.219 1.574 3.042 119 HG3 LYS 14 1HG LYS 14 -2.618 0.855 3.841 120 HD2 LYS 14 2HD LYS 14 -0.990 -1.078 2.339 121 HD3 LYS 14 1HD LYS 14 -0.133 -0.317 3.678 122 HE2 LYS 14 2HE LYS 14 -1.468 -1.308 5.268 123 HE3 LYS 14 1HE LYS 14 -2.914 -1.236 4.241 124 HZ1 LYS 14 3HZ LYS 14 -1.927 -2.941 2.818 125 HZ2 LYS 14 1HZ LYS 14 -2.124 -3.509 4.403 126 HZ3 LYS 14 2HZ LYS 14 -0.585 -3.044 3.853 127 H THR 15 H THR 15 -4.361 -1.438 -0.231 128 HA THR 15 HA THR 15 -5.874 0.653 -1.646 129 HB THR 15 HB THR 15 -5.936 -1.401 -3.314 130 HG1 THR 15 1HG THR 15 -5.214 -3.012 -2.071 131 HG21 THR 15 3HG2 THR 15 -3.448 0.130 -2.519 132 HG22 THR 15 1HG2 THR 15 -4.632 0.590 -3.743 133 HG23 THR 15 2HG2 THR 15 -3.593 -0.810 -4.004 134 H ILE 16 H ILE 16 -6.469 -2.678 -0.625 135 HA ILE 16 HA ILE 16 -9.127 -2.999 -1.342 136 HB ILE 16 HB ILE 16 -9.176 -4.345 0.927 137 HG12 ILE 16 2HG1 ILE 16 -6.282 -4.512 0.889 138 HG13 ILE 16 1HG1 ILE 16 -6.793 -2.866 1.262 139 HG21 ILE 16 1HG2 ILE 16 -7.093 -5.674 -0.418 140 HG22 ILE 16 2HG2 ILE 16 -7.961 -4.777 -1.664 141 HG23 ILE 16 3HG2 ILE 16 -8.826 -5.920 -0.637 142 HD11 ILE 16 3HD1 ILE 16 -7.690 -3.463 3.268 143 HD12 ILE 16 1HD1 ILE 16 -6.633 -4.866 3.113 144 HD13 ILE 16 2HD1 ILE 16 -8.328 -4.982 2.638 145 H HIS 17 H HIS 17 -8.288 -2.072 2.026 146 HA HIS 17 HA HIS 17 -10.814 -1.131 2.739 147 HB2 HIS 17 2HB HIS 17 -9.709 -0.460 4.668 148 HB3 HIS 17 1HB HIS 17 -8.542 -1.591 4.001 149 HD1 HIS 17 1HD HIS 17 -8.881 1.860 5.093 150 HD2 HIS 17 2HD HIS 17 -6.454 -0.179 2.392 151 HE1 HIS 17 1HE HIS 17 -6.905 3.375 4.624 152 H ARG 18 H ARG 18 -8.312 0.427 0.906 153 HA ARG 18 HA ARG 18 -9.303 3.106 1.109 154 HB2 ARG 18 2HB ARG 18 -7.020 2.743 0.527 155 HB3 ARG 18 1HB ARG 18 -7.461 1.622 -0.760 156 HG2 ARG 18 2HG ARG 18 -7.394 3.356 -2.191 157 HG3 ARG 18 1HG ARG 18 -8.807 4.017 -1.367 158 HD2 ARG 18 2HD ARG 18 -7.409 5.281 0.163 159 HD3 ARG 18 1HD ARG 18 -5.944 4.506 -0.473 160 HE ARG 18 HE ARG 18 -7.145 5.558 -2.731 161 HH11 ARG 18 1HH2 ARG 18 -5.212 6.554 -0.163 162 HH12 ARG 18 2HH2 ARG 18 -5.329 8.247 -0.505 163 HH21 ARG 18 1HH1 ARG 18 -7.737 7.853 -2.968 164 HH22 ARG 18 2HH1 ARG 18 -6.758 8.983 -2.093 165 H LEU 19 H LEU 19 -9.966 0.400 -0.964 166 HA LEU 19 HA LEU 19 -11.298 1.725 -3.092 167 HB2 LEU 19 2HB LEU 19 -10.489 -0.789 -2.526 168 HB3 LEU 19 1HB LEU 19 -12.214 -0.956 -2.198 169 HG LEU 19 HG LEU 19 -12.340 0.403 -4.525 170 HD11 LEU 19 1HD1 LEU 19 -10.456 0.311 -5.761 171 HD12 LEU 19 2HD1 LEU 19 -10.275 -1.417 -5.455 172 HD13 LEU 19 3HD1 LEU 19 -9.617 -0.245 -4.313 173 HD21 LEU 19 3HD2 LEU 19 -11.879 -2.592 -4.369 174 HD22 LEU 19 1HD2 LEU 19 -12.832 -1.729 -5.577 175 HD23 LEU 19 2HD2 LEU 19 -13.388 -1.805 -3.905 176 H VAL 20 H VAL 20 -12.706 0.019 -0.271 177 HA VAL 20 HA VAL 20 -15.386 0.705 -0.714 178 HB VAL 20 HB VAL 20 -14.781 -0.981 0.857 179 HG11 VAL 20 1HG1 VAL 20 -12.597 -0.459 1.528 180 HG12 VAL 20 2HG1 VAL 20 -13.520 -0.148 2.998 181 HG13 VAL 20 3HG1 VAL 20 -13.026 1.195 1.966 182 HG21 VAL 20 3HG2 VAL 20 -15.458 0.740 3.045 183 HG22 VAL 20 1HG2 VAL 20 -16.493 -0.407 2.196 184 HG23 VAL 20 2HG2 VAL 20 -16.364 1.256 1.624 185 H THR 21 H THR 21 -12.785 2.621 0.507 186 HA THR 21 HA THR 21 -14.637 4.726 1.424 187 HB THR 21 HB THR 21 -12.803 3.902 2.899 188 HG1 THR 21 1HG THR 21 -13.494 6.038 3.123 189 HG21 THR 21 3HG2 THR 21 -11.150 3.328 1.236 190 HG22 THR 21 1HG2 THR 21 -10.471 4.593 2.259 191 HG23 THR 21 2HG2 THR 21 -11.088 4.992 0.655 192 H GLY 22 H GLY 22 -13.417 3.867 -1.428 193 HA2 GLY 22 1HA GLY 22 -11.882 5.844 -2.563 194 HA3 GLY 22 2HA GLY 22 -13.228 5.106 -3.429 Start of MODEL 2 1 H1 PHE 1 1HT PHE 1 18.278 -11.097 1.328 2 H2 PHE 1 2HT PHE 1 17.451 -9.754 0.698 3 H3 PHE 1 3HT PHE 1 16.602 -10.956 1.547 4 HA PHE 1 HA PHE 1 17.343 -10.251 3.598 5 HB2 PHE 1 2HB PHE 1 19.701 -9.828 1.934 6 HB3 PHE 1 1HB PHE 1 19.499 -8.534 3.115 7 HD1 PHE 1 1HD PHE 1 18.616 -9.506 5.521 8 HD2 PHE 1 2HD PHE 1 20.994 -11.626 2.640 9 HE1 PHE 1 1HE PHE 1 19.447 -11.006 7.312 10 HE2 PHE 1 2HE PHE 1 21.826 -13.126 4.431 11 HZ PHE 1 HZ PHE 1 21.053 -12.816 6.767 12 H PHE 2 H PHE 2 18.264 -7.725 1.222 13 HA PHE 2 HA PHE 2 16.009 -6.049 2.267 14 HB2 PHE 2 2HB PHE 2 17.940 -5.230 3.375 15 HB3 PHE 2 1HB PHE 2 18.951 -5.440 1.945 16 HD1 PHE 2 1HD PHE 2 16.003 -3.520 3.222 17 HD2 PHE 2 2HD PHE 2 19.277 -3.658 0.444 18 HE1 PHE 2 1HE PHE 2 15.513 -1.190 2.528 19 HE2 PHE 2 2HE PHE 2 18.788 -1.328 -0.250 20 HZ PHE 2 HZ PHE 2 16.906 -0.094 0.793 21 H HIS 3 H HIS 3 14.715 -5.564 0.546 22 HA HIS 3 HA HIS 3 15.892 -4.577 -1.967 23 HB2 HIS 3 2HB HIS 3 15.682 -7.243 -1.759 24 HB3 HIS 3 1HB HIS 3 14.024 -6.894 -2.248 25 HD1 HIS 3 1HD HIS 3 15.149 -4.289 -3.949 26 HD2 HIS 3 2HD HIS 3 16.162 -8.306 -4.417 27 HE1 HIS 3 1HE HIS 3 16.017 -4.539 -6.315 28 H HIS 4 H HIS 4 13.413 -5.149 -3.444 29 HA HIS 4 HA HIS 4 11.681 -3.090 -2.158 30 HB2 HIS 4 2HB HIS 4 10.739 -2.965 -4.478 31 HB3 HIS 4 1HB HIS 4 12.477 -2.674 -4.429 32 HD1 HIS 4 1HD HIS 4 12.294 -3.495 -7.028 33 HD2 HIS 4 2HD HIS 4 11.708 -6.420 -4.117 34 HE1 HIS 4 1HE HIS 4 12.571 -5.728 -8.189 35 H ILE 5 H ILE 5 11.862 -6.297 -1.907 36 HA ILE 5 HA ILE 5 9.277 -7.232 -2.690 37 HB ILE 5 HB ILE 5 10.005 -9.186 -1.398 38 HG12 ILE 5 2HG1 ILE 5 12.408 -8.818 -0.346 39 HG13 ILE 5 1HG1 ILE 5 11.856 -7.147 -0.229 40 HG21 ILE 5 1HG2 ILE 5 12.114 -9.609 -2.566 41 HG22 ILE 5 2HG2 ILE 5 12.313 -7.882 -2.859 42 HG23 ILE 5 3HG2 ILE 5 10.998 -8.761 -3.636 43 HD11 ILE 5 3HD1 ILE 5 10.128 -7.677 1.244 44 HD12 ILE 5 1HD1 ILE 5 11.377 -8.814 1.750 45 HD13 ILE 5 2HD1 ILE 5 10.057 -9.357 0.714 46 H PHE 6 H PHE 6 10.072 -5.027 -0.336 47 HA PHE 6 HA PHE 6 8.149 -6.013 1.701 48 HB2 PHE 6 2HB PHE 6 10.326 -3.980 1.472 49 HB3 PHE 6 1HB PHE 6 9.054 -3.673 2.655 50 HD1 PHE 6 2HD PHE 6 8.335 -5.981 3.957 51 HD2 PHE 6 1HD PHE 6 12.196 -5.090 2.296 52 HE1 PHE 6 2HE PHE 6 9.379 -7.610 5.509 53 HE2 PHE 6 1HE PHE 6 13.238 -6.719 3.849 54 HZ PHE 6 HZ PHE 6 11.830 -7.979 5.455 55 H ARG 7 H ARG 7 7.959 -4.286 -1.143 56 HA ARG 7 HA ARG 7 5.996 -2.294 -0.169 57 HB2 ARG 7 2HB ARG 7 6.586 -1.154 -2.057 58 HB3 ARG 7 1HB ARG 7 7.964 -2.247 -2.050 59 HG2 ARG 7 2HG ARG 7 6.269 -3.812 -3.395 60 HG3 ARG 7 1HG ARG 7 5.538 -2.260 -3.799 61 HD2 ARG 7 2HD ARG 7 7.110 -2.135 -5.443 62 HD3 ARG 7 1HD ARG 7 8.270 -1.802 -4.141 63 HE ARG 7 HE ARG 7 8.280 -4.451 -3.985 64 HH11 ARG 7 1HH2 ARG 7 8.832 -2.281 -6.547 65 HH12 ARG 7 2HH2 ARG 7 9.233 -3.507 -7.704 66 HH21 ARG 7 1HH1 ARG 7 8.461 -6.137 -5.578 67 HH22 ARG 7 2HH1 ARG 7 9.022 -5.691 -7.155 68 HA PRO 8 HA PRO 8 3.310 -5.081 -2.837 69 HB2 PRO 8 2HB PRO 8 4.001 -7.695 -3.175 70 HB3 PRO 8 1HB PRO 8 4.489 -6.405 -4.292 71 HG2 PRO 8 2HG PRO 8 6.079 -7.869 -2.317 72 HG3 PRO 8 1HG PRO 8 6.582 -7.004 -3.772 73 HD2 PRO 8 2HD PRO 8 6.767 -6.110 -1.090 74 HD3 PRO 8 1HD PRO 8 7.156 -5.203 -2.563 75 H ILE 9 H ILE 9 4.308 -5.301 0.191 76 HA ILE 9 HA ILE 9 2.361 -7.444 0.969 77 HB ILE 9 HB ILE 9 4.928 -6.387 2.156 78 HG12 ILE 9 2HG1 ILE 9 4.230 -9.275 2.009 79 HG13 ILE 9 1HG1 ILE 9 4.483 -8.454 0.468 80 HG21 ILE 9 1HG2 ILE 9 4.248 -8.185 3.997 81 HG22 ILE 9 2HG2 ILE 9 2.617 -7.715 3.517 82 HG23 ILE 9 3HG2 ILE 9 3.736 -6.503 4.139 83 HD11 ILE 9 3HD1 ILE 9 6.541 -7.586 2.230 84 HD12 ILE 9 1HD1 ILE 9 6.705 -8.581 0.784 85 HD13 ILE 9 2HD1 ILE 9 6.453 -9.343 2.355 86 H VAL 10 H VAL 10 2.824 -4.118 0.867 87 HA VAL 10 HA VAL 10 0.882 -3.705 3.067 88 HB VAL 10 HB VAL 10 3.230 -2.020 2.171 89 HG11 VAL 10 1HG1 VAL 10 0.799 -1.263 3.495 90 HG12 VAL 10 2HG1 VAL 10 2.201 -0.260 3.124 91 HG13 VAL 10 3HG1 VAL 10 2.129 -1.145 4.647 92 HG21 VAL 10 3HG2 VAL 10 3.219 -4.219 3.796 93 HG22 VAL 10 1HG2 VAL 10 2.941 -2.933 4.971 94 HG23 VAL 10 2HG2 VAL 10 4.374 -2.893 3.943 95 H HIS 11 H HIS 11 2.017 -2.653 -0.120 96 HA HIS 11 HA HIS 11 0.125 -0.561 -0.556 97 HB2 HIS 11 2HB HIS 11 1.834 -2.390 -2.193 98 HB3 HIS 11 1HB HIS 11 0.607 -1.441 -3.032 99 HD1 HIS 11 1HD HIS 11 0.756 1.212 -2.709 100 HD2 HIS 11 2HD HIS 11 4.081 -0.930 -1.391 101 HE1 HIS 11 1HE HIS 11 2.624 2.897 -2.417 102 H VAL 12 H VAL 12 -0.318 -3.918 -0.276 103 HA VAL 12 HA VAL 12 -2.683 -4.110 -2.010 104 HB VAL 12 HB VAL 12 -1.739 -6.036 0.126 105 HG11 VAL 12 1HG1 VAL 12 -2.574 -7.071 -2.471 106 HG12 VAL 12 2HG1 VAL 12 -3.831 -6.089 -1.721 107 HG13 VAL 12 3HG1 VAL 12 -3.169 -7.479 -0.861 108 HG21 VAL 12 3HG2 VAL 12 0.265 -5.570 -1.065 109 HG22 VAL 12 1HG2 VAL 12 -0.584 -5.452 -2.606 110 HG23 VAL 12 2HG2 VAL 12 -0.380 -7.023 -1.830 111 H GLY 13 H GLY 13 -2.307 -4.872 1.471 112 HA2 GLY 13 2HA GLY 13 -4.981 -4.720 2.183 113 HA3 GLY 13 1HA GLY 13 -3.679 -4.331 3.296 114 H LYS 14 H LYS 14 -2.860 -2.141 1.363 115 HA LYS 14 HA LYS 14 -4.450 -0.048 2.583 116 HB2 LYS 14 2HB LYS 14 -1.887 -0.414 1.343 117 HB3 LYS 14 1HB LYS 14 -2.700 0.968 0.605 118 HG2 LYS 14 2HG LYS 14 -1.797 2.054 2.416 119 HG3 LYS 14 1HG LYS 14 -3.276 1.474 3.181 120 HD2 LYS 14 2HD LYS 14 -0.654 -0.044 3.195 121 HD3 LYS 14 1HD LYS 14 -1.207 0.986 4.514 122 HE2 LYS 14 2HE LYS 14 -2.275 -0.847 5.326 123 HE3 LYS 14 1HE LYS 14 -3.397 -0.686 3.962 124 HZ1 LYS 14 3HZ LYS 14 -2.531 -2.756 3.554 125 HZ2 LYS 14 1HZ LYS 14 -1.014 -2.384 4.213 126 HZ3 LYS 14 2HZ LYS 14 -1.437 -1.798 2.675 127 H THR 15 H THR 15 -4.486 -1.763 -0.438 128 HA THR 15 HA THR 15 -5.928 0.365 -1.865 129 HB THR 15 HB THR 15 -5.968 -1.348 -3.661 130 HG1 THR 15 1HG THR 15 -4.477 -2.966 -1.901 131 HG21 THR 15 3HG2 THR 15 -4.000 -0.207 -3.915 132 HG22 THR 15 1HG2 THR 15 -3.306 -1.760 -3.446 133 HG23 THR 15 2HG2 THR 15 -3.506 -0.483 -2.245 134 H ILE 16 H ILE 16 -6.651 -2.800 -0.493 135 HA ILE 16 HA ILE 16 -9.351 -2.994 -1.284 136 HB ILE 16 HB ILE 16 -8.081 -3.956 1.292 137 HG12 ILE 16 2HG1 ILE 16 -7.978 -5.981 -0.655 138 HG13 ILE 16 1HG1 ILE 16 -7.412 -4.526 -1.477 139 HG21 ILE 16 1HG2 ILE 16 -10.348 -4.944 -0.449 140 HG22 ILE 16 2HG2 ILE 16 -10.450 -4.381 1.218 141 HG23 ILE 16 3HG2 ILE 16 -9.632 -5.899 0.849 142 HD11 ILE 16 3HD1 ILE 16 -5.432 -5.268 -0.516 143 HD12 ILE 16 1HD1 ILE 16 -6.248 -5.933 0.899 144 HD13 ILE 16 2HD1 ILE 16 -6.026 -4.190 0.748 145 H HIS 17 H HIS 17 -8.206 -2.147 2.003 146 HA HIS 17 HA HIS 17 -10.614 -1.134 2.977 147 HB2 HIS 17 2HB HIS 17 -9.303 -0.581 4.796 148 HB3 HIS 17 1HB HIS 17 -8.189 -1.649 3.955 149 HD1 HIS 17 1HD HIS 17 -6.667 -0.192 2.050 150 HD2 HIS 17 2HD HIS 17 -8.098 1.812 5.413 151 HE1 HIS 17 1HE HIS 17 -5.255 1.899 2.296 152 H ARG 18 H ARG 18 -8.345 0.346 0.824 153 HA ARG 18 HA ARG 18 -9.035 3.077 1.182 154 HB2 ARG 18 2HB ARG 18 -7.028 2.440 0.048 155 HB3 ARG 18 1HB ARG 18 -7.923 1.449 -1.097 156 HG2 ARG 18 2HG ARG 18 -7.631 3.317 -2.401 157 HG3 ARG 18 1HG ARG 18 -9.127 3.783 -1.596 158 HD2 ARG 18 2HD ARG 18 -8.043 5.620 -0.826 159 HD3 ARG 18 1HD ARG 18 -7.043 4.539 0.164 160 HE ARG 18 HE ARG 18 -6.043 4.436 -2.491 161 HH11 ARG 18 1HH2 ARG 18 -6.071 6.290 0.394 162 HH12 ARG 18 2HH2 ARG 18 -4.825 7.375 -0.124 163 HH21 ARG 18 1HH1 ARG 18 -4.565 5.989 -3.291 164 HH22 ARG 18 2HH1 ARG 18 -3.972 7.206 -2.209 165 H LEU 19 H LEU 19 -9.685 1.560 -1.878 166 HA LEU 19 HA LEU 19 -11.776 3.003 -2.827 167 HB2 LEU 19 2HB LEU 19 -12.593 0.762 -3.807 168 HB3 LEU 19 1HB LEU 19 -10.917 1.213 -4.116 169 HG LEU 19 HG LEU 19 -10.817 -0.150 -1.678 170 HD11 LEU 19 1HD1 LEU 19 -12.424 -1.728 -1.615 171 HD12 LEU 19 2HD1 LEU 19 -12.105 -2.190 -3.287 172 HD13 LEU 19 3HD1 LEU 19 -13.224 -0.873 -2.934 173 HD21 LEU 19 3HD2 LEU 19 -10.357 -1.218 -4.483 174 HD22 LEU 19 1HD2 LEU 19 -9.645 -1.857 -3.001 175 HD23 LEU 19 2HD2 LEU 19 -9.203 -0.247 -3.568 176 H VAL 20 H VAL 20 -12.429 0.089 -0.787 177 HA VAL 20 HA VAL 20 -15.148 0.251 -0.550 178 HB VAL 20 HB VAL 20 -14.048 -1.526 0.516 179 HG11 VAL 20 1HG1 VAL 20 -12.055 -1.375 1.572 180 HG12 VAL 20 2HG1 VAL 20 -12.614 -0.069 2.615 181 HG13 VAL 20 3HG1 VAL 20 -12.010 0.293 1.002 182 HG21 VAL 20 3HG2 VAL 20 -15.020 -1.573 2.626 183 HG22 VAL 20 1HG2 VAL 20 -15.944 -0.296 1.836 184 HG23 VAL 20 2HG2 VAL 20 -14.640 0.119 2.947 185 H THR 21 H THR 21 -13.146 1.732 1.970 186 HA THR 21 HA THR 21 -15.301 3.622 2.560 187 HB THR 21 HB THR 21 -14.167 2.337 4.349 188 HG1 THR 21 1HG THR 21 -14.383 4.016 5.573 189 HG21 THR 21 3HG2 THR 21 -11.964 1.963 4.038 190 HG22 THR 21 1HG2 THR 21 -11.710 3.600 4.640 191 HG23 THR 21 2HG2 THR 21 -11.821 3.306 2.903 192 H GLY 22 H GLY 22 -13.502 3.734 0.122 193 HA2 GLY 22 1HA GLY 22 -11.508 5.595 0.071 194 HA3 GLY 22 2HA GLY 22 -12.752 5.563 -1.177 Start of MODEL 3 1 H1 PHE 1 1HT PHE 1 10.385 -5.779 8.364 2 H2 PHE 1 2HT PHE 1 9.646 -4.394 7.713 3 H3 PHE 1 3HT PHE 1 11.224 -4.304 8.339 4 HA PHE 1 HA PHE 1 10.305 -5.307 5.755 5 HB2 PHE 1 2HB PHE 1 12.911 -4.124 6.752 6 HB3 PHE 1 1HB PHE 1 12.311 -4.139 5.095 7 HD1 PHE 1 2HD PHE 1 9.431 -3.468 5.594 8 HD2 PHE 1 1HD PHE 1 13.037 -1.794 7.218 9 HE1 PHE 1 2HE PHE 1 8.254 -1.322 5.998 10 HE2 PHE 1 1HE PHE 1 11.860 0.352 7.622 11 HZ PHE 1 HZ PHE 1 9.468 0.587 7.012 12 H PHE 2 H PHE 2 10.761 -7.376 5.125 13 HA PHE 2 HA PHE 2 13.275 -8.670 5.995 14 HB2 PHE 2 2HB PHE 2 10.596 -9.180 7.091 15 HB3 PHE 2 1HB PHE 2 11.404 -10.643 6.531 16 HD1 PHE 2 2HD PHE 2 14.199 -10.216 7.030 17 HD2 PHE 2 1HD PHE 2 10.835 -9.013 9.413 18 HE1 PHE 2 2HE PHE 2 15.638 -10.193 9.049 19 HE2 PHE 2 1HE PHE 2 12.275 -8.989 11.434 20 HZ PHE 2 HZ PHE 2 14.676 -9.579 11.251 21 H HIS 3 H HIS 3 12.414 -11.314 5.172 22 HA HIS 3 HA HIS 3 13.053 -11.562 2.534 23 HB2 HIS 3 2HB HIS 3 12.517 -13.444 3.971 24 HB3 HIS 3 1HB HIS 3 10.829 -12.941 4.071 25 HD1 HIS 3 1HD HIS 3 9.549 -14.638 2.754 26 HD2 HIS 3 2HD HIS 3 13.020 -13.451 0.776 27 HE1 HIS 3 1HE HIS 3 9.506 -15.775 0.492 28 H HIS 4 H HIS 4 9.623 -11.219 3.542 29 HA HIS 4 HA HIS 4 8.868 -10.420 0.802 30 HB2 HIS 4 2HB HIS 4 6.588 -10.396 1.872 31 HB3 HIS 4 1HB HIS 4 7.440 -11.923 2.091 32 HD1 HIS 4 1HD HIS 4 8.303 -12.489 4.476 33 HD2 HIS 4 2HD HIS 4 6.262 -8.860 4.254 34 HE1 HIS 4 1HE HIS 4 7.849 -11.775 6.863 35 H ILE 5 H ILE 5 10.109 -8.381 0.745 36 HA ILE 5 HA ILE 5 10.185 -6.271 2.482 37 HB ILE 5 HB ILE 5 9.625 -6.205 -0.495 38 HG12 ILE 5 2HG1 ILE 5 11.588 -7.520 -0.012 39 HG13 ILE 5 1HG1 ILE 5 12.151 -5.933 -0.542 40 HG21 ILE 5 1HG2 ILE 5 11.249 -4.097 0.807 41 HG22 ILE 5 2HG2 ILE 5 9.527 -4.052 1.181 42 HG23 ILE 5 3HG2 ILE 5 10.069 -3.959 -0.496 43 HD11 ILE 5 3HD1 ILE 5 11.862 -5.520 2.146 44 HD12 ILE 5 1HD1 ILE 5 13.380 -5.977 1.374 45 HD13 ILE 5 2HD1 ILE 5 12.359 -7.212 2.111 46 H PHE 6 H PHE 6 8.838 -4.530 3.067 47 HA PHE 6 HA PHE 6 5.974 -5.110 3.047 48 HB2 PHE 6 2HB PHE 6 7.861 -3.118 4.255 49 HB3 PHE 6 1HB PHE 6 6.131 -2.780 4.291 50 HD1 PHE 6 2HD PHE 6 8.346 -5.778 4.788 51 HD2 PHE 6 1HD PHE 6 5.052 -3.435 6.240 52 HE1 PHE 6 2HE PHE 6 8.082 -7.334 6.701 53 HE2 PHE 6 1HE PHE 6 4.788 -4.990 8.153 54 HZ PHE 6 HZ PHE 6 6.304 -6.940 8.383 55 H ARG 7 H ARG 7 7.962 -2.344 1.921 56 HA ARG 7 HA ARG 7 6.096 -0.694 0.759 57 HB2 ARG 7 2HB ARG 7 8.878 -1.323 0.493 58 HB3 ARG 7 1HB ARG 7 8.218 -1.032 -1.116 59 HG2 ARG 7 2HG ARG 7 7.062 1.027 0.092 60 HG3 ARG 7 1HG ARG 7 8.403 0.830 1.221 61 HD2 ARG 7 2HD ARG 7 8.531 1.438 -1.742 62 HD3 ARG 7 1HD ARG 7 9.274 2.328 -0.398 63 HE ARG 7 HE ARG 7 10.208 -0.302 -1.440 64 HH11 ARG 7 1HH2 ARG 7 11.326 2.684 -0.704 65 HH12 ARG 7 2HH2 ARG 7 12.567 2.188 0.399 66 HH21 ARG 7 1HH1 ARG 7 11.448 -1.089 0.596 67 HH22 ARG 7 2HH1 ARG 7 12.636 0.052 1.134 68 HA PRO 8 HA PRO 8 5.305 -3.553 -2.739 69 HB2 PRO 8 2HB PRO 8 6.656 -5.908 -3.027 70 HB3 PRO 8 1HB PRO 8 7.313 -4.334 -3.521 71 HG2 PRO 8 2HG PRO 8 7.878 -5.952 -1.104 72 HG3 PRO 8 1HG PRO 8 8.949 -4.933 -2.071 73 HD2 PRO 8 2HD PRO 8 7.891 -4.183 0.331 74 HD3 PRO 8 1HD PRO 8 8.419 -3.047 -0.925 75 H ILE 9 H ILE 9 5.159 -4.837 0.362 76 HA ILE 9 HA ILE 9 3.081 -6.832 -0.481 77 HB ILE 9 HB ILE 9 5.030 -6.920 1.844 78 HG12 ILE 9 2HG1 ILE 9 6.125 -7.280 -0.331 79 HG13 ILE 9 1HG1 ILE 9 6.043 -8.795 0.569 80 HG21 ILE 9 1HG2 ILE 9 2.557 -8.315 1.302 81 HG22 ILE 9 2HG2 ILE 9 3.612 -8.441 2.710 82 HG23 ILE 9 3HG2 ILE 9 3.904 -9.452 1.294 83 HD11 ILE 9 3HD1 ILE 9 4.004 -9.420 -0.694 84 HD12 ILE 9 1HD1 ILE 9 5.377 -9.158 -1.769 85 HD13 ILE 9 2HD1 ILE 9 4.129 -7.922 -1.616 86 H VAL 10 H VAL 10 3.091 -3.875 0.558 87 HA VAL 10 HA VAL 10 1.139 -4.340 2.738 88 HB VAL 10 HB VAL 10 3.123 -2.084 2.366 89 HG11 VAL 10 1HG1 VAL 10 2.137 -1.002 4.111 90 HG12 VAL 10 2HG1 VAL 10 1.792 -2.504 4.969 91 HG13 VAL 10 3HG1 VAL 10 0.721 -1.960 3.677 92 HG21 VAL 10 3HG2 VAL 10 4.089 -4.310 3.014 93 HG22 VAL 10 1HG2 VAL 10 3.042 -4.303 4.434 94 HG23 VAL 10 2HG2 VAL 10 4.294 -3.074 4.256 95 H HIS 11 H HIS 11 2.008 -2.445 -0.111 96 HA HIS 11 HA HIS 11 -0.048 -0.505 -0.068 97 HB2 HIS 11 2HB HIS 11 2.013 -1.119 -1.681 98 HB3 HIS 11 1HB HIS 11 0.705 -1.806 -2.643 99 HD1 HIS 11 1HD HIS 11 2.202 0.709 -3.646 100 HD2 HIS 11 2HD HIS 11 -1.307 0.846 -1.398 101 HE1 HIS 11 1HE HIS 11 1.137 2.958 -4.118 102 H VAL 12 H VAL 12 -0.253 -3.896 -0.476 103 HA VAL 12 HA VAL 12 -2.661 -4.056 -2.060 104 HB VAL 12 HB VAL 12 -1.649 -5.995 0.038 105 HG11 VAL 12 1HG1 VAL 12 -3.318 -6.177 -2.465 106 HG12 VAL 12 2HG1 VAL 12 -3.669 -6.808 -0.856 107 HG13 VAL 12 3HG1 VAL 12 -2.448 -7.586 -1.863 108 HG21 VAL 12 3HG2 VAL 12 0.318 -5.897 -1.106 109 HG22 VAL 12 1HG2 VAL 12 -0.414 -5.056 -2.473 110 HG23 VAL 12 2HG2 VAL 12 -0.548 -6.810 -2.344 111 H GLY 13 H GLY 13 -2.225 -4.697 1.442 112 HA2 GLY 13 2HA GLY 13 -4.961 -4.639 2.085 113 HA3 GLY 13 1HA GLY 13 -3.670 -4.352 3.243 114 H LYS 14 H LYS 14 -2.849 -2.111 1.254 115 HA LYS 14 HA LYS 14 -4.281 0.003 2.643 116 HB2 LYS 14 2HB LYS 14 -1.860 -0.391 1.039 117 HB3 LYS 14 1HB LYS 14 -2.659 1.150 0.724 118 HG2 LYS 14 2HG LYS 14 -1.355 1.753 2.535 119 HG3 LYS 14 1HG LYS 14 -2.808 1.216 3.379 120 HD2 LYS 14 2HD LYS 14 -0.586 -0.717 2.738 121 HD3 LYS 14 1HD LYS 14 -0.527 0.284 4.188 122 HE2 LYS 14 2HE LYS 14 -2.139 -0.944 5.236 123 HE3 LYS 14 1HE LYS 14 -3.121 -1.068 3.763 124 HZ1 LYS 14 3HZ LYS 14 -1.154 -2.520 2.948 125 HZ2 LYS 14 1HZ LYS 14 -2.323 -3.207 3.967 126 HZ3 LYS 14 2HZ LYS 14 -0.828 -2.713 4.604 127 H THR 15 H THR 15 -4.531 -1.657 -0.384 128 HA THR 15 HA THR 15 -6.062 0.528 -1.653 129 HB THR 15 HB THR 15 -6.133 -1.284 -3.497 130 HG1 THR 15 1HG THR 15 -4.095 -2.644 -2.892 131 HG21 THR 15 3HG2 THR 15 -4.616 0.401 -3.953 132 HG22 THR 15 1HG2 THR 15 -3.512 -0.962 -3.768 133 HG23 THR 15 2HG2 THR 15 -3.746 0.171 -2.437 134 H ILE 16 H ILE 16 -6.575 -2.724 -0.404 135 HA ILE 16 HA ILE 16 -9.244 -3.094 -1.225 136 HB ILE 16 HB ILE 16 -9.314 -4.639 0.782 137 HG12 ILE 16 2HG1 ILE 16 -6.738 -4.788 1.630 138 HG13 ILE 16 1HG1 ILE 16 -6.885 -3.048 1.396 139 HG21 ILE 16 1HG2 ILE 16 -6.777 -5.466 -0.229 140 HG22 ILE 16 2HG2 ILE 16 -7.663 -4.707 -1.551 141 HG23 ILE 16 3HG2 ILE 16 -8.375 -6.064 -0.677 142 HD11 ILE 16 3HD1 ILE 16 -9.229 -3.536 2.657 143 HD12 ILE 16 1HD1 ILE 16 -7.744 -3.135 3.520 144 HD13 ILE 16 2HD1 ILE 16 -8.242 -4.819 3.358 145 H HIS 17 H HIS 17 -8.076 -1.748 1.905 146 HA HIS 17 HA HIS 17 -10.685 -1.027 2.796 147 HB2 HIS 17 2HB HIS 17 -9.504 -0.179 4.641 148 HB3 HIS 17 1HB HIS 17 -8.451 -1.449 4.041 149 HD1 HIS 17 1HD HIS 17 -8.535 2.133 4.757 150 HD2 HIS 17 2HD HIS 17 -6.306 -0.388 2.312 151 HE1 HIS 17 1HE HIS 17 -6.464 3.436 4.092 152 H ARG 18 H ARG 18 -8.296 0.500 0.814 153 HA ARG 18 HA ARG 18 -9.026 3.207 0.975 154 HB2 ARG 18 2HB ARG 18 -7.030 2.333 -0.130 155 HB3 ARG 18 1HB ARG 18 -8.032 1.528 -1.333 156 HG2 ARG 18 2HG ARG 18 -7.903 3.396 -2.568 157 HG3 ARG 18 1HG ARG 18 -8.892 4.191 -1.343 158 HD2 ARG 18 2HD ARG 18 -6.438 4.276 -0.141 159 HD3 ARG 18 1HD ARG 18 -5.989 4.439 -1.851 160 HE ARG 18 HE ARG 18 -8.123 6.142 -1.658 161 HH11 ARG 18 1HH2 ARG 18 -7.085 6.050 1.313 162 HH12 ARG 18 2HH2 ARG 18 -6.184 7.529 1.342 163 HH21 ARG 18 1HH1 ARG 18 -6.173 7.901 -2.105 164 HH22 ARG 18 2HH1 ARG 18 -5.666 8.576 -0.593 165 H LEU 19 H LEU 19 -9.791 1.298 -1.864 166 HA LEU 19 HA LEU 19 -11.849 2.773 -2.932 167 HB2 LEU 19 2HB LEU 19 -12.680 0.461 -3.743 168 HB3 LEU 19 1HB LEU 19 -11.018 0.907 -4.123 169 HG LEU 19 HG LEU 19 -10.870 -0.288 -1.591 170 HD11 LEU 19 1HD1 LEU 19 -12.306 -2.049 -1.485 171 HD12 LEU 19 2HD1 LEU 19 -12.199 -2.360 -3.218 172 HD13 LEU 19 3HD1 LEU 19 -13.279 -1.103 -2.613 173 HD21 LEU 19 3HD2 LEU 19 -10.388 -1.571 -4.298 174 HD22 LEU 19 1HD2 LEU 19 -9.602 -1.993 -2.776 175 HD23 LEU 19 2HD2 LEU 19 -9.279 -0.432 -3.531 176 H VAL 20 H VAL 20 -12.492 -0.034 -0.735 177 HA VAL 20 HA VAL 20 -15.219 0.293 -0.448 178 HB VAL 20 HB VAL 20 -14.063 -1.586 0.482 179 HG11 VAL 20 1HG1 VAL 20 -12.195 -1.471 1.793 180 HG12 VAL 20 2HG1 VAL 20 -12.769 -0.053 2.670 181 HG13 VAL 20 3HG1 VAL 20 -12.055 0.130 1.070 182 HG21 VAL 20 3HG2 VAL 20 -15.326 0.236 2.516 183 HG22 VAL 20 1HG2 VAL 20 -14.717 -1.352 2.977 184 HG23 VAL 20 2HG2 VAL 20 -15.993 -1.214 1.767 185 H THR 21 H THR 21 -12.747 1.803 1.587 186 HA THR 21 HA THR 21 -14.710 3.602 2.771 187 HB THR 21 HB THR 21 -12.931 4.068 4.286 188 HG1 THR 21 1HG THR 21 -11.291 3.014 2.251 189 HG21 THR 21 3HG2 THR 21 -11.908 1.406 3.971 190 HG22 THR 21 1HG2 THR 21 -13.642 1.411 3.651 191 HG23 THR 21 2HG2 THR 21 -13.027 2.019 5.189 192 H GLY 22 H GLY 22 -13.724 3.658 -0.144 193 HA2 GLY 22 1HA GLY 22 -12.005 5.633 -0.873 194 HA3 GLY 22 2HA GLY 22 -13.560 5.447 -1.682 Start of MODEL 4 1 H1 PHE 1 1HT PHE 1 18.519 -6.275 0.484 2 H2 PHE 1 2HT PHE 1 18.271 -5.362 1.895 3 H3 PHE 1 3HT PHE 1 19.730 -5.224 1.035 4 HA PHE 1 HA PHE 1 18.716 -3.369 0.219 5 HB2 PHE 1 2HB PHE 1 19.028 -5.385 -1.451 6 HB3 PHE 1 1HB PHE 1 17.265 -5.366 -1.498 7 HD1 PHE 1 1HD PHE 1 19.781 -2.602 -1.216 8 HD2 PHE 1 2HD PHE 1 16.598 -4.359 -3.503 9 HE1 PHE 1 1HE PHE 1 19.843 -0.680 -2.782 10 HE2 PHE 1 2HE PHE 1 16.661 -2.437 -5.069 11 HZ PHE 1 HZ PHE 1 18.284 -0.597 -4.708 12 H PHE 2 H PHE 2 17.204 -3.897 2.486 13 HA PHE 2 HA PHE 2 14.394 -4.312 1.982 14 HB2 PHE 2 2HB PHE 2 14.192 -3.622 4.302 15 HB3 PHE 2 1HB PHE 2 15.666 -4.576 4.147 16 HD1 PHE 2 1HD PHE 2 17.882 -3.497 4.179 17 HD2 PHE 2 2HD PHE 2 14.274 -1.230 4.717 18 HE1 PHE 2 1HE PHE 2 19.210 -1.586 5.032 19 HE2 PHE 2 2HE PHE 2 15.603 0.681 5.573 20 HZ PHE 2 HZ PHE 2 18.071 0.503 5.730 21 H HIS 3 H HIS 3 12.794 -2.462 2.624 22 HA HIS 3 HA HIS 3 11.915 -0.300 2.218 23 HB2 HIS 3 2HB HIS 3 14.351 0.111 3.221 24 HB3 HIS 3 1HB HIS 3 14.671 0.688 1.585 25 HD1 HIS 3 1HD HIS 3 14.597 2.648 4.016 26 HD2 HIS 3 2HD HIS 3 11.356 1.888 1.508 27 HE1 HIS 3 1HE HIS 3 13.056 4.648 4.210 28 H HIS 4 H HIS 4 11.674 -2.011 0.126 29 HA HIS 4 HA HIS 4 11.556 -0.310 -2.179 30 HB2 HIS 4 2HB HIS 4 14.104 -0.941 -1.649 31 HB3 HIS 4 1HB HIS 4 13.670 -2.397 -2.543 32 HD1 HIS 4 1HD HIS 4 13.853 1.360 -2.937 33 HD2 HIS 4 2HD HIS 4 13.351 -2.030 -5.310 34 HE1 HIS 4 1HE HIS 4 13.999 2.141 -5.342 35 H ILE 5 H ILE 5 12.451 -3.742 -1.669 36 HA ILE 5 HA ILE 5 10.430 -4.628 -3.555 37 HB ILE 5 HB ILE 5 12.118 -6.264 -1.666 38 HG12 ILE 5 2HG1 ILE 5 13.495 -6.204 -4.043 39 HG13 ILE 5 1HG1 ILE 5 12.899 -4.547 -3.931 40 HG21 ILE 5 1HG2 ILE 5 11.634 -7.081 -4.469 41 HG22 ILE 5 2HG2 ILE 5 10.203 -7.053 -3.438 42 HG23 ILE 5 3HG2 ILE 5 11.591 -8.045 -2.992 43 HD11 ILE 5 3HD1 ILE 5 14.946 -5.905 -2.326 44 HD12 ILE 5 1HD1 ILE 5 13.745 -5.052 -1.354 45 HD13 ILE 5 2HD1 ILE 5 14.673 -4.180 -2.575 46 H PHE 6 H PHE 6 10.355 -3.736 -0.338 47 HA PHE 6 HA PHE 6 8.323 -5.747 0.484 48 HB2 PHE 6 2HB PHE 6 10.368 -4.209 1.718 49 HB3 PHE 6 1HB PHE 6 8.839 -3.634 2.380 50 HD1 PHE 6 1HD PHE 6 10.399 -6.911 1.404 51 HD2 PHE 6 2HD PHE 6 8.055 -4.734 4.270 52 HE1 PHE 6 1HE PHE 6 10.246 -8.941 2.820 53 HE2 PHE 6 2HE PHE 6 7.902 -6.764 5.686 54 HZ PHE 6 HZ PHE 6 8.998 -8.867 4.962 55 H ARG 7 H ARG 7 8.150 -3.209 -1.437 56 HA ARG 7 HA ARG 7 5.970 -1.709 -0.128 57 HB2 ARG 7 2HB ARG 7 7.187 -0.184 -1.289 58 HB3 ARG 7 1HB ARG 7 7.917 -1.419 -2.303 59 HG2 ARG 7 2HG ARG 7 5.046 -0.772 -2.806 60 HG3 ARG 7 1HG ARG 7 6.239 0.432 -3.285 61 HD2 ARG 7 2HD ARG 7 6.079 -2.456 -4.207 62 HD3 ARG 7 1HD ARG 7 5.952 -0.993 -5.199 63 HE ARG 7 HE ARG 7 8.445 -2.143 -4.164 64 HH11 ARG 7 1HH1 ARG 7 7.508 -0.428 -6.700 65 HH12 ARG 7 2HH1 ARG 7 8.610 0.898 -6.533 66 HH21 ARG 7 1HH2 ARG 7 9.561 0.045 -3.309 67 HH22 ARG 7 2HH2 ARG 7 9.772 1.166 -4.612 68 HA PRO 8 HA PRO 8 3.683 -3.834 -3.658 69 HB2 PRO 8 2HB PRO 8 4.680 -6.136 -4.721 70 HB3 PRO 8 1HB PRO 8 5.049 -4.524 -5.368 71 HG2 PRO 8 2HG PRO 8 6.711 -6.323 -3.724 72 HG3 PRO 8 1HG PRO 8 7.176 -5.129 -4.938 73 HD2 PRO 8 2HD PRO 8 7.335 -4.782 -2.185 74 HD3 PRO 8 1HD PRO 8 7.408 -3.496 -3.404 75 H ILE 9 H ILE 9 4.721 -4.939 -0.806 76 HA ILE 9 HA ILE 9 2.920 -7.336 -0.804 77 HB ILE 9 HB ILE 9 5.377 -6.572 0.793 78 HG12 ILE 9 2HG1 ILE 9 5.839 -9.048 -0.136 79 HG13 ILE 9 1HG1 ILE 9 4.698 -8.513 -1.371 80 HG21 ILE 9 1HG2 ILE 9 4.347 -7.677 2.499 81 HG22 ILE 9 2HG2 ILE 9 4.765 -9.119 1.576 82 HG23 ILE 9 3HG2 ILE 9 3.155 -8.415 1.430 83 HD11 ILE 9 3HD1 ILE 9 6.516 -7.579 -2.359 84 HD12 ILE 9 1HD1 ILE 9 7.469 -7.644 -0.876 85 HD13 ILE 9 2HD1 ILE 9 6.334 -6.320 -1.139 86 H VAL 10 H VAL 10 3.194 -4.148 0.223 87 HA VAL 10 HA VAL 10 1.234 -4.613 2.393 88 HB VAL 10 HB VAL 10 3.521 -2.652 2.168 89 HG11 VAL 10 1HG1 VAL 10 2.358 -1.279 3.524 90 HG12 VAL 10 2HG1 VAL 10 2.334 -2.559 4.738 91 HG13 VAL 10 3HG1 VAL 10 1.014 -2.419 3.577 92 HG21 VAL 10 3HG2 VAL 10 3.663 -5.194 2.958 93 HG22 VAL 10 1HG2 VAL 10 3.043 -4.513 4.462 94 HG23 VAL 10 2HG2 VAL 10 4.568 -3.930 3.795 95 H HIS 11 H HIS 11 1.896 -3.078 -0.577 96 HA HIS 11 HA HIS 11 0.206 -0.736 -0.268 97 HB2 HIS 11 2HB HIS 11 1.993 -1.897 -2.141 98 HB3 HIS 11 1HB HIS 11 0.455 -1.700 -2.979 99 HD1 HIS 11 1HD HIS 11 -0.670 0.853 -2.175 100 HD2 HIS 11 2HD HIS 11 3.465 0.405 -2.460 101 HE1 HIS 11 1HE HIS 11 0.286 3.185 -2.424 102 H VAL 12 H VAL 12 -0.559 -3.969 -0.261 103 HA VAL 12 HA VAL 12 -2.982 -3.851 -1.927 104 HB VAL 12 HB VAL 12 -2.459 -6.047 0.034 105 HG11 VAL 12 1HG1 VAL 12 -3.298 -5.817 -2.860 106 HG12 VAL 12 2HG1 VAL 12 -4.258 -6.380 -1.492 107 HG13 VAL 12 3HG1 VAL 12 -2.931 -7.367 -2.105 108 HG21 VAL 12 3HG2 VAL 12 -0.785 -6.975 -1.729 109 HG22 VAL 12 1HG2 VAL 12 -0.196 -5.777 -0.575 110 HG23 VAL 12 2HG2 VAL 12 -0.602 -5.291 -2.222 111 H GLY 13 H GLY 13 -2.458 -4.724 1.509 112 HA2 GLY 13 2HA GLY 13 -5.092 -4.492 2.361 113 HA3 GLY 13 1HA GLY 13 -3.718 -4.191 3.415 114 H LYS 14 H LYS 14 -2.893 -1.965 1.543 115 HA LYS 14 HA LYS 14 -4.378 0.137 2.892 116 HB2 LYS 14 2HB LYS 14 -2.282 0.351 0.723 117 HB3 LYS 14 1HB LYS 14 -2.683 1.560 1.943 118 HG2 LYS 14 2HG LYS 14 -1.517 -1.178 2.505 119 HG3 LYS 14 1HG LYS 14 -0.621 0.337 2.542 120 HD2 LYS 14 2HD LYS 14 -1.194 0.490 4.720 121 HD3 LYS 14 1HD LYS 14 -2.833 0.830 4.166 122 HE2 LYS 14 2HE LYS 14 -2.587 -1.113 5.838 123 HE3 LYS 14 1HE LYS 14 -3.463 -1.493 4.343 124 HZ1 LYS 14 3HZ LYS 14 -0.569 -1.730 4.232 125 HZ2 LYS 14 1HZ LYS 14 -1.760 -2.719 3.538 126 HZ3 LYS 14 2HZ LYS 14 -1.362 -2.894 5.182 127 H THR 15 H THR 15 -4.342 -1.336 -0.295 128 HA THR 15 HA THR 15 -5.983 0.825 -1.461 129 HB THR 15 HB THR 15 -5.736 -0.624 -3.500 130 HG1 THR 15 1HG THR 15 -5.482 -2.635 -2.858 131 HG21 THR 15 3HG2 THR 15 -3.448 0.403 -1.882 132 HG22 THR 15 1HG2 THR 15 -4.026 0.920 -3.467 133 HG23 THR 15 2HG2 THR 15 -3.074 -0.557 -3.314 134 H ILE 16 H ILE 16 -6.386 -2.337 -0.095 135 HA ILE 16 HA ILE 16 -8.902 -2.989 -1.281 136 HB ILE 16 HB ILE 16 -8.898 -4.771 0.304 137 HG12 ILE 16 2HG1 ILE 16 -7.049 -3.023 1.956 138 HG13 ILE 16 1HG1 ILE 16 -8.722 -3.421 2.343 139 HG21 ILE 16 1HG2 ILE 16 -7.021 -5.657 -0.562 140 HG22 ILE 16 2HG2 ILE 16 -6.023 -4.635 0.470 141 HG23 ILE 16 3HG2 ILE 16 -6.553 -4.047 -1.106 142 HD11 ILE 16 3HD1 ILE 16 -6.704 -4.805 3.388 143 HD12 ILE 16 1HD1 ILE 16 -6.817 -5.674 1.857 144 HD13 ILE 16 2HD1 ILE 16 -8.213 -5.598 2.934 145 H HIS 17 H HIS 17 -8.084 -1.484 1.870 146 HA HIS 17 HA HIS 17 -10.846 -1.054 2.545 147 HB2 HIS 17 2HB HIS 17 -9.891 -0.177 4.550 148 HB3 HIS 17 1HB HIS 17 -8.864 -1.517 4.068 149 HD1 HIS 17 1HD HIS 17 -8.614 1.865 5.147 150 HD2 HIS 17 2HD HIS 17 -6.628 -0.405 2.275 151 HE1 HIS 17 1HE HIS 17 -6.442 3.075 4.658 152 H ARG 18 H ARG 18 -8.417 0.646 0.816 153 HA ARG 18 HA ARG 18 -9.367 3.313 1.177 154 HB2 ARG 18 2HB ARG 18 -7.115 2.859 0.452 155 HB3 ARG 18 1HB ARG 18 -7.703 1.916 -0.918 156 HG2 ARG 18 2HG ARG 18 -7.313 3.902 -2.007 157 HG3 ARG 18 1HG ARG 18 -8.958 4.218 -1.459 158 HD2 ARG 18 2HD ARG 18 -8.154 6.041 -0.379 159 HD3 ARG 18 1HD ARG 18 -7.290 4.935 0.707 160 HE ARG 18 HE ARG 18 -6.020 5.489 -1.909 161 HH11 ARG 18 1HH2 ARG 18 -5.391 4.735 1.237 162 HH12 ARG 18 2HH2 ARG 18 -4.154 5.920 1.490 163 HH21 ARG 18 1HH1 ARG 18 -4.770 7.585 -1.488 164 HH22 ARG 18 2HH1 ARG 18 -3.803 7.533 -0.053 165 H LEU 19 H LEU 19 -9.952 0.834 -1.233 166 HA LEU 19 HA LEU 19 -11.616 2.417 -2.945 167 HB2 LEU 19 2HB LEU 19 -11.388 -0.578 -2.535 168 HB3 LEU 19 1HB LEU 19 -12.123 0.203 -3.935 169 HG LEU 19 HG LEU 19 -9.349 1.019 -3.192 170 HD11 LEU 19 1HD1 LEU 19 -9.824 -1.438 -4.877 171 HD12 LEU 19 2HD1 LEU 19 -9.581 -1.566 -3.134 172 HD13 LEU 19 3HD1 LEU 19 -8.316 -0.875 -4.152 173 HD21 LEU 19 3HD2 LEU 19 -9.745 2.107 -5.135 174 HD22 LEU 19 1HD2 LEU 19 -11.185 1.141 -5.461 175 HD23 LEU 19 2HD2 LEU 19 -9.594 0.541 -5.931 176 H VAL 20 H VAL 20 -12.413 -0.142 -0.561 177 HA VAL 20 HA VAL 20 -15.184 -0.081 -0.710 178 HB VAL 20 HB VAL 20 -13.926 -1.686 0.588 179 HG11 VAL 20 1HG1 VAL 20 -12.046 -0.365 1.280 180 HG12 VAL 20 2HG1 VAL 20 -12.858 -0.887 2.756 181 HG13 VAL 20 3HG1 VAL 20 -13.081 0.759 2.162 182 HG21 VAL 20 3HG2 VAL 20 -15.119 -1.511 2.787 183 HG22 VAL 20 1HG2 VAL 20 -16.181 -1.297 1.396 184 HG23 VAL 20 2HG2 VAL 20 -15.647 0.106 2.320 185 H THR 21 H THR 21 -13.043 2.248 0.707 186 HA THR 21 HA THR 21 -15.347 3.774 1.763 187 HB THR 21 HB THR 21 -13.424 2.979 3.254 188 HG1 THR 21 1HG THR 21 -14.375 5.584 2.981 189 HG21 THR 21 3HG2 THR 21 -11.917 4.162 1.201 190 HG22 THR 21 1HG2 THR 21 -11.309 3.544 2.736 191 HG23 THR 21 2HG2 THR 21 -11.749 5.245 2.583 192 H GLY 22 H GLY 22 -13.884 3.608 -1.028 193 HA2 GLY 22 1HA GLY 22 -12.538 5.894 -1.735 194 HA3 GLY 22 2HA GLY 22 -13.761 5.179 -2.785 Start of MODEL 5 1 H1 PHE 1 1HT PHE 1 16.640 7.261 -3.554 2 H2 PHE 1 2HT PHE 1 15.537 6.805 -4.762 3 H3 PHE 1 3HT PHE 1 16.190 5.634 -3.717 4 HA PHE 1 HA PHE 1 15.093 6.880 -1.826 5 HB2 PHE 1 2HB PHE 1 13.634 8.086 -4.197 6 HB3 PHE 1 1HB PHE 1 13.418 8.498 -2.496 7 HD1 PHE 1 2HD PHE 1 16.211 8.589 -1.537 8 HD2 PHE 1 1HD PHE 1 14.486 10.052 -5.188 9 HE1 PHE 1 2HE PHE 1 18.019 10.278 -1.714 10 HE2 PHE 1 1HE PHE 1 16.293 11.741 -5.366 11 HZ PHE 1 HZ PHE 1 18.060 11.853 -3.630 12 H PHE 2 H PHE 2 14.112 4.988 -1.194 13 HA PHE 2 HA PHE 2 12.572 3.197 -1.162 14 HB2 PHE 2 2HB PHE 2 11.025 5.107 -1.388 15 HB3 PHE 2 1HB PHE 2 11.205 5.050 -3.141 16 HD1 PHE 2 1HD PHE 2 11.068 2.095 -0.907 17 HD2 PHE 2 2HD PHE 2 8.940 4.520 -3.743 18 HE1 PHE 2 1HE PHE 2 9.284 0.378 -1.039 19 HE2 PHE 2 2HE PHE 2 7.156 2.803 -3.873 20 HZ PHE 2 HZ PHE 2 7.328 0.731 -2.521 21 H HIS 3 H HIS 3 12.892 1.240 -2.144 22 HA HIS 3 HA HIS 3 13.813 1.178 -4.965 23 HB2 HIS 3 2HB HIS 3 14.587 -0.088 -2.665 24 HB3 HIS 3 1HB HIS 3 13.545 -1.311 -3.393 25 HD1 HIS 3 1HD HIS 3 14.438 0.044 -6.337 26 HD2 HIS 3 2HD HIS 3 16.798 -1.863 -3.478 27 HE1 HIS 3 1HE HIS 3 16.510 -0.770 -7.546 28 H HIS 4 H HIS 4 10.889 1.540 -3.947 29 HA HIS 4 HA HIS 4 8.745 0.784 -4.604 30 HB2 HIS 4 2HB HIS 4 10.337 -0.355 -6.915 31 HB3 HIS 4 1HB HIS 4 8.671 0.223 -6.945 32 HD1 HIS 4 1HD HIS 4 8.382 2.582 -7.692 33 HD2 HIS 4 2HD HIS 4 12.215 1.910 -6.195 34 HE1 HIS 4 1HE HIS 4 9.666 4.742 -8.015 35 H ILE 5 H ILE 5 10.740 -1.174 -3.186 36 HA ILE 5 HA ILE 5 9.723 -3.759 -4.099 37 HB ILE 5 HB ILE 5 12.077 -3.498 -3.599 38 HG12 ILE 5 2HG1 ILE 5 10.784 -5.622 -2.895 39 HG13 ILE 5 1HG1 ILE 5 12.382 -5.381 -2.192 40 HG21 ILE 5 1HG2 ILE 5 12.236 -1.701 -2.116 41 HG22 ILE 5 2HG2 ILE 5 12.602 -3.071 -1.067 42 HG23 ILE 5 3HG2 ILE 5 10.993 -2.346 -1.043 43 HD11 ILE 5 3HD1 ILE 5 9.899 -5.696 -0.829 44 HD12 ILE 5 1HD1 ILE 5 10.460 -4.053 -0.527 45 HD13 ILE 5 2HD1 ILE 5 11.493 -5.422 -0.128 46 H PHE 6 H PHE 6 9.076 -1.420 -1.685 47 HA PHE 6 HA PHE 6 7.485 -3.363 -0.063 48 HB2 PHE 6 2HB PHE 6 8.852 -2.194 1.400 49 HB3 PHE 6 1HB PHE 6 8.905 -0.768 0.371 50 HD1 PHE 6 1HD PHE 6 6.689 -2.697 2.676 51 HD2 PHE 6 2HD PHE 6 7.469 1.068 0.762 52 HE1 PHE 6 1HE PHE 6 4.937 -1.627 4.067 53 HE2 PHE 6 2HE PHE 6 5.717 2.138 2.153 54 HZ PHE 6 HZ PHE 6 4.452 0.791 3.805 55 H ARG 7 H ARG 7 6.970 -1.663 -2.729 56 HA ARG 7 HA ARG 7 4.523 -0.207 -1.966 57 HB2 ARG 7 2HB ARG 7 5.659 0.968 -3.586 58 HB3 ARG 7 1HB ARG 7 6.391 -0.483 -4.264 59 HG2 ARG 7 2HG ARG 7 3.450 -0.214 -4.586 60 HG3 ARG 7 1HG ARG 7 4.447 0.893 -5.528 61 HD2 ARG 7 2HD ARG 7 4.614 -2.142 -5.530 62 HD3 ARG 7 1HD ARG 7 4.108 -1.102 -6.874 63 HE ARG 7 HE ARG 7 6.886 -1.351 -5.841 64 HH11 ARG 7 1HH1 ARG 7 5.995 1.481 -6.645 65 HH12 ARG 7 2HH1 ARG 7 6.541 1.534 -8.289 66 HH21 ARG 7 1HH2 ARG 7 6.984 -1.896 -8.533 67 HH22 ARG 7 2HH2 ARG 7 7.101 -0.377 -9.356 68 HA PRO 8 HA PRO 8 2.656 -3.814 -4.138 69 HB2 PRO 8 2HB PRO 8 4.158 -5.850 -5.152 70 HB3 PRO 8 1HB PRO 8 3.886 -4.319 -6.009 71 HG2 PRO 8 2HG PRO 8 6.293 -5.309 -4.665 72 HG3 PRO 8 1HG PRO 8 6.115 -4.101 -5.940 73 HD2 PRO 8 2HD PRO 8 6.545 -3.635 -3.176 74 HD3 PRO 8 1HD PRO 8 6.249 -2.431 -4.446 75 H ILE 9 H ILE 9 4.420 -4.121 -1.445 76 HA ILE 9 HA ILE 9 3.525 -6.923 -0.884 77 HB ILE 9 HB ILE 9 5.771 -5.212 0.208 78 HG12 ILE 9 2HG1 ILE 9 5.953 -7.900 -1.157 79 HG13 ILE 9 1HG1 ILE 9 5.913 -6.402 -2.088 80 HG21 ILE 9 1HG2 ILE 9 6.357 -7.073 1.638 81 HG22 ILE 9 2HG2 ILE 9 5.072 -8.066 0.952 82 HG23 ILE 9 3HG2 ILE 9 4.669 -6.667 1.948 83 HD11 ILE 9 3HD1 ILE 9 7.792 -5.716 -0.297 84 HD12 ILE 9 1HD1 ILE 9 8.188 -6.551 -1.799 85 HD13 ILE 9 2HD1 ILE 9 8.043 -7.462 -0.296 86 H VAL 10 H VAL 10 3.110 -3.634 -0.047 87 HA VAL 10 HA VAL 10 1.547 -4.439 2.334 88 HB VAL 10 HB VAL 10 3.379 -2.096 1.845 89 HG11 VAL 10 1HG1 VAL 10 1.365 -1.252 2.952 90 HG12 VAL 10 2HG1 VAL 10 2.690 -1.324 4.115 91 HG13 VAL 10 3HG1 VAL 10 1.436 -2.565 4.128 92 HG21 VAL 10 3HG2 VAL 10 3.592 -3.602 4.334 93 HG22 VAL 10 1HG2 VAL 10 4.832 -3.266 3.125 94 HG23 VAL 10 2HG2 VAL 10 3.752 -4.646 2.921 95 H HIS 11 H HIS 11 1.877 -2.027 -0.269 96 HA HIS 11 HA HIS 11 -0.369 -0.447 0.117 97 HB2 HIS 11 2HB HIS 11 1.458 -0.792 -1.834 98 HB3 HIS 11 1HB HIS 11 0.068 -1.542 -2.618 99 HD1 HIS 11 1HD HIS 11 1.500 1.392 -3.147 100 HD2 HIS 11 2HD HIS 11 -2.225 0.611 -1.446 101 HE1 HIS 11 1HE HIS 11 0.123 3.496 -3.445 102 H VAL 12 H VAL 12 -0.253 -3.800 -0.716 103 HA VAL 12 HA VAL 12 -2.706 -4.364 -1.900 104 HB VAL 12 HB VAL 12 -1.485 -5.863 0.439 105 HG11 VAL 12 1HG1 VAL 12 -2.743 -7.641 -0.223 106 HG12 VAL 12 2HG1 VAL 12 -2.530 -7.276 -1.935 107 HG13 VAL 12 3HG1 VAL 12 -3.748 -6.415 -0.994 108 HG21 VAL 12 3HG2 VAL 12 0.370 -5.528 -0.961 109 HG22 VAL 12 1HG2 VAL 12 -0.611 -5.563 -2.427 110 HG23 VAL 12 2HG2 VAL 12 -0.279 -7.058 -1.551 111 H GLY 13 H GLY 13 -2.254 -4.610 1.648 112 HA2 GLY 13 2HA GLY 13 -5.019 -4.548 2.232 113 HA3 GLY 13 1HA GLY 13 -3.752 -4.197 3.398 114 H LYS 14 H LYS 14 -2.842 -2.043 1.418 115 HA LYS 14 HA LYS 14 -4.300 0.133 2.646 116 HB2 LYS 14 2HB LYS 14 -2.296 0.189 0.381 117 HB3 LYS 14 1HB LYS 14 -2.651 1.487 1.522 118 HG2 LYS 14 2HG LYS 14 -1.380 -1.187 2.170 119 HG3 LYS 14 1HG LYS 14 -0.587 0.386 2.201 120 HD2 LYS 14 2HD LYS 14 -1.215 0.612 4.349 121 HD3 LYS 14 1HD LYS 14 -2.895 0.645 3.812 122 HE2 LYS 14 2HE LYS 14 -2.279 -1.165 5.547 123 HE3 LYS 14 1HE LYS 14 -3.129 -1.732 4.097 124 HZ1 LYS 14 3HZ LYS 14 -0.766 -2.705 4.915 125 HZ2 LYS 14 1HZ LYS 14 -0.255 -1.503 3.834 126 HZ3 LYS 14 2HZ LYS 14 -1.297 -2.735 3.300 127 H THR 15 H THR 15 -4.552 -1.648 -0.330 128 HA THR 15 HA THR 15 -6.090 0.466 -1.693 129 HB THR 15 HB THR 15 -6.188 -1.353 -3.465 130 HG1 THR 15 1HG THR 15 -5.566 -3.266 -2.910 131 HG21 THR 15 3HG2 THR 15 -3.647 -0.251 -2.308 132 HG22 THR 15 1HG2 THR 15 -4.453 0.164 -3.821 133 HG23 THR 15 2HG2 THR 15 -3.571 -1.356 -3.680 134 H ILE 16 H ILE 16 -6.664 -2.848 -0.608 135 HA ILE 16 HA ILE 16 -9.363 -3.124 -1.199 136 HB ILE 16 HB ILE 16 -9.339 -4.588 0.929 137 HG12 ILE 16 2HG1 ILE 16 -6.570 -4.814 1.239 138 HG13 ILE 16 1HG1 ILE 16 -6.858 -3.076 1.239 139 HG21 ILE 16 1HG2 ILE 16 -8.556 -6.221 -0.424 140 HG22 ILE 16 2HG2 ILE 16 -6.988 -5.433 -0.606 141 HG23 ILE 16 3HG2 ILE 16 -8.343 -4.946 -1.624 142 HD11 ILE 16 3HD1 ILE 16 -7.625 -5.101 3.232 143 HD12 ILE 16 1HD1 ILE 16 -8.920 -3.979 2.811 144 HD13 ILE 16 2HD1 ILE 16 -7.385 -3.364 3.426 145 H HIS 17 H HIS 17 -8.135 -1.958 1.988 146 HA HIS 17 HA HIS 17 -10.697 -1.133 2.889 147 HB2 HIS 17 2HB HIS 17 -9.525 -0.652 4.810 148 HB3 HIS 17 1HB HIS 17 -8.320 -1.646 4.007 149 HD1 HIS 17 1HD HIS 17 -8.206 1.168 5.920 150 HD2 HIS 17 2HD HIS 17 -6.973 0.521 1.995 151 HE1 HIS 17 1HE HIS 17 -6.499 2.967 5.403 152 H ARG 18 H ARG 18 -8.406 0.352 0.800 153 HA ARG 18 HA ARG 18 -9.160 3.089 1.208 154 HB2 ARG 18 2HB ARG 18 -7.040 2.571 0.240 155 HB3 ARG 18 1HB ARG 18 -7.784 1.546 -0.985 156 HG2 ARG 18 2HG ARG 18 -7.737 3.355 -2.335 157 HG3 ARG 18 1HG ARG 18 -9.040 4.003 -1.341 158 HD2 ARG 18 2HD ARG 18 -7.561 5.732 -1.016 159 HD3 ARG 18 1HD ARG 18 -6.863 4.637 0.194 160 HE ARG 18 HE ARG 18 -5.615 3.760 -2.042 161 HH11 ARG 18 1HH1 ARG 18 -3.976 5.405 -0.278 162 HH12 ARG 18 2HH1 ARG 18 -3.571 6.776 -1.256 163 HH21 ARG 18 1HH2 ARG 18 -6.078 6.194 -3.579 164 HH22 ARG 18 2HH2 ARG 18 -4.761 7.223 -3.124 165 H LEU 19 H LEU 19 -9.553 1.379 -1.821 166 HA LEU 19 HA LEU 19 -11.538 2.775 -3.051 167 HB2 LEU 19 2HB LEU 19 -12.289 0.490 -3.942 168 HB3 LEU 19 1HB LEU 19 -10.575 0.864 -4.100 169 HG LEU 19 HG LEU 19 -10.700 -0.293 -1.595 170 HD11 LEU 19 1HD1 LEU 19 -13.136 -0.876 -2.348 171 HD12 LEU 19 2HD1 LEU 19 -12.145 -2.141 -1.621 172 HD13 LEU 19 3HD1 LEU 19 -12.349 -2.078 -3.371 173 HD21 LEU 19 3HD2 LEU 19 -9.311 -0.664 -3.879 174 HD22 LEU 19 1HD2 LEU 19 -10.321 -2.109 -3.924 175 HD23 LEU 19 2HD2 LEU 19 -9.264 -1.816 -2.544 176 H VAL 20 H VAL 20 -12.306 0.096 -0.755 177 HA VAL 20 HA VAL 20 -15.065 0.301 -0.723 178 HB VAL 20 HB VAL 20 -13.819 -1.402 0.462 179 HG11 VAL 20 1HG1 VAL 20 -11.875 0.000 1.055 180 HG12 VAL 20 2HG1 VAL 20 -12.501 -0.837 2.474 181 HG13 VAL 20 3HG1 VAL 20 -12.861 0.871 2.228 182 HG21 VAL 20 3HG2 VAL 20 -14.824 -1.031 2.831 183 HG22 VAL 20 1HG2 VAL 20 -15.930 -1.148 1.463 184 HG23 VAL 20 2HG2 VAL 20 -15.519 0.431 2.133 185 H THR 21 H THR 21 -12.729 2.264 0.989 186 HA THR 21 HA THR 21 -14.896 4.099 1.823 187 HB THR 21 HB THR 21 -13.456 2.846 3.541 188 HG1 THR 21 1HG THR 21 -13.019 4.973 4.642 189 HG21 THR 21 3HG2 THR 21 -11.375 4.925 2.948 190 HG22 THR 21 1HG2 THR 21 -11.365 3.410 2.049 191 HG23 THR 21 2HG2 THR 21 -11.207 3.394 3.804 192 H GLY 22 H GLY 22 -13.403 3.971 -0.772 193 HA2 GLY 22 1HA GLY 22 -11.351 5.712 -1.209 194 HA3 GLY 22 2HA GLY 22 -12.741 5.659 -2.291 Start of MODEL 6 1 H1 PHE 1 1HT PHE 1 10.950 -2.693 10.535 2 H2 PHE 1 2HT PHE 1 10.640 -1.870 9.082 3 H3 PHE 1 3HT PHE 1 11.916 -1.373 10.086 4 HA PHE 1 HA PHE 1 13.136 -2.566 8.592 5 HB2 PHE 1 2HB PHE 1 12.115 -4.111 10.905 6 HB3 PHE 1 1HB PHE 1 12.904 -5.075 9.655 7 HD1 PHE 1 1HD PHE 1 13.775 -1.544 10.215 8 HD2 PHE 1 2HD PHE 1 14.840 -5.621 11.051 9 HE1 PHE 1 1HE PHE 1 15.992 -0.796 11.035 10 HE2 PHE 1 2HE PHE 1 17.059 -4.872 11.872 11 HZ PHE 1 HZ PHE 1 17.634 -2.460 11.864 12 H PHE 2 H PHE 2 13.232 -4.301 6.948 13 HA PHE 2 HA PHE 2 10.661 -5.586 6.211 14 HB2 PHE 2 2HB PHE 2 11.032 -4.591 3.853 15 HB3 PHE 2 1HB PHE 2 10.426 -3.499 5.097 16 HD1 PHE 2 2HD PHE 2 12.016 -1.949 6.277 17 HD2 PHE 2 1HD PHE 2 13.179 -4.267 2.852 18 HE1 PHE 2 2HE PHE 2 13.989 -0.481 5.953 19 HE2 PHE 2 1HE PHE 2 15.151 -2.800 2.529 20 HZ PHE 2 HZ PHE 2 15.557 -0.907 4.080 21 H HIS 3 H HIS 3 11.007 -7.167 4.400 22 HA HIS 3 HA HIS 3 13.856 -7.927 3.946 23 HB2 HIS 3 2HB HIS 3 11.657 -9.617 5.171 24 HB3 HIS 3 1HB HIS 3 13.170 -10.293 4.565 25 HD1 HIS 3 1HD HIS 3 15.359 -9.688 5.858 26 HD2 HIS 3 2HD HIS 3 11.888 -8.178 7.605 27 HE1 HIS 3 1HE HIS 3 16.004 -8.913 8.182 28 H HIS 4 H HIS 4 14.123 -8.466 1.815 29 HA HIS 4 HA HIS 4 13.522 -8.858 -0.445 30 HB2 HIS 4 2HB HIS 4 13.078 -11.000 1.196 31 HB3 HIS 4 1HB HIS 4 11.491 -10.818 0.449 32 HD1 HIS 4 1HD HIS 4 12.647 -9.703 -2.313 33 HD2 HIS 4 2HD HIS 4 13.838 -13.214 -0.406 34 HE1 HIS 4 1HE HIS 4 13.643 -11.190 -4.105 35 H ILE 5 H ILE 5 10.896 -9.868 -1.279 36 HA ILE 5 HA ILE 5 9.559 -7.463 -1.865 37 HB ILE 5 HB ILE 5 7.665 -9.178 -2.373 38 HG12 ILE 5 2HG1 ILE 5 8.233 -11.478 -2.391 39 HG13 ILE 5 1HG1 ILE 5 9.932 -11.150 -2.079 40 HG21 ILE 5 1HG2 ILE 5 9.314 -8.164 -3.977 41 HG22 ILE 5 2HG2 ILE 5 8.767 -9.780 -4.424 42 HG23 ILE 5 3HG2 ILE 5 10.355 -9.559 -3.690 43 HD11 ILE 5 3HD1 ILE 5 9.265 -10.259 0.187 44 HD12 ILE 5 1HD1 ILE 5 8.931 -11.974 -0.034 45 HD13 ILE 5 2HD1 ILE 5 7.622 -10.801 -0.148 46 H PHE 6 H PHE 6 9.618 -6.695 0.559 47 HA PHE 6 HA PHE 6 7.339 -7.767 2.146 48 HB2 PHE 6 2HB PHE 6 9.910 -6.634 2.643 49 HB3 PHE 6 1HB PHE 6 8.712 -5.544 3.341 50 HD1 PHE 6 1HD PHE 6 8.841 -9.274 2.931 51 HD2 PHE 6 2HD PHE 6 8.506 -5.948 5.629 52 HE1 PHE 6 1HE PHE 6 8.511 -10.842 4.825 53 HE2 PHE 6 2HE PHE 6 8.176 -7.516 7.521 54 HZ PHE 6 HZ PHE 6 8.178 -9.963 7.119 55 H ARG 7 H ARG 7 8.163 -5.125 0.062 56 HA ARG 7 HA ARG 7 6.214 -3.229 1.098 57 HB2 ARG 7 2HB ARG 7 7.881 -3.479 -1.417 58 HB3 ARG 7 1HB ARG 7 6.919 -2.064 -1.019 59 HG2 ARG 7 2HG ARG 7 8.212 -1.591 0.923 60 HG3 ARG 7 1HG ARG 7 8.980 -3.179 0.881 61 HD2 ARG 7 2HD ARG 7 9.392 -0.897 -1.081 62 HD3 ARG 7 1HD ARG 7 10.600 -1.626 -0.004 63 HE ARG 7 HE ARG 7 9.713 -3.794 -1.430 64 HH11 ARG 7 1HH1 ARG 7 12.147 -1.688 -1.824 65 HH12 ARG 7 2HH1 ARG 7 12.195 -1.709 -3.555 66 HH21 ARG 7 1HH2 ARG 7 9.173 -3.379 -3.883 67 HH22 ARG 7 2HH2 ARG 7 10.510 -2.666 -4.722 68 HA PRO 8 HA PRO 8 3.929 -4.627 -2.868 69 HB2 PRO 8 2HB PRO 8 4.359 -7.170 -3.743 70 HB3 PRO 8 1HB PRO 8 5.238 -5.760 -4.370 71 HG2 PRO 8 2HG PRO 8 6.125 -7.855 -2.498 72 HG3 PRO 8 1HG PRO 8 7.049 -6.887 -3.652 73 HD2 PRO 8 2HD PRO 8 6.934 -6.481 -0.900 74 HD3 PRO 8 1HD PRO 8 7.544 -5.328 -2.102 75 H ILE 9 H ILE 9 4.540 -6.292 -0.007 76 HA ILE 9 HA ILE 9 2.007 -7.860 -0.143 77 HB ILE 9 HB ILE 9 4.385 -7.821 1.735 78 HG12 ILE 9 2HG1 ILE 9 3.357 -10.017 -0.084 79 HG13 ILE 9 1HG1 ILE 9 4.602 -8.867 -0.571 80 HG21 ILE 9 1HG2 ILE 9 2.899 -8.621 3.259 81 HG22 ILE 9 2HG2 ILE 9 2.970 -10.103 2.308 82 HG23 ILE 9 3HG2 ILE 9 1.673 -8.940 2.032 83 HD11 ILE 9 3HD1 ILE 9 4.726 -10.908 1.655 84 HD12 ILE 9 1HD1 ILE 9 5.867 -9.567 1.543 85 HD13 ILE 9 2HD1 ILE 9 5.784 -10.767 0.251 86 H VAL 10 H VAL 10 2.623 -4.792 0.460 87 HA VAL 10 HA VAL 10 0.871 -4.670 2.846 88 HB VAL 10 HB VAL 10 3.219 -2.957 2.020 89 HG11 VAL 10 1HG1 VAL 10 2.800 -1.785 4.193 90 HG12 VAL 10 2HG1 VAL 10 1.289 -2.682 4.343 91 HG13 VAL 10 3HG1 VAL 10 1.508 -1.540 3.018 92 HG21 VAL 10 3HG2 VAL 10 2.958 -4.384 4.638 93 HG22 VAL 10 1HG2 VAL 10 4.409 -4.017 3.703 94 HG23 VAL 10 2HG2 VAL 10 3.350 -5.340 3.206 95 H HIS 11 H HIS 11 1.971 -2.828 -0.014 96 HA HIS 11 HA HIS 11 0.118 -0.759 -0.058 97 HB2 HIS 11 2HB HIS 11 1.662 -2.345 -2.016 98 HB3 HIS 11 1HB HIS 11 0.305 -1.446 -2.694 99 HD1 HIS 11 1HD HIS 11 1.601 0.456 -3.784 100 HD2 HIS 11 2HD HIS 11 2.561 -0.037 0.243 101 HE1 HIS 11 1HE HIS 11 3.028 2.446 -3.140 102 H VAL 12 H VAL 12 -0.481 -4.122 -0.525 103 HA VAL 12 HA VAL 12 -2.922 -4.036 -2.006 104 HB VAL 12 HB VAL 12 -2.211 -5.990 0.194 105 HG11 VAL 12 1HG1 VAL 12 -3.704 -7.377 -0.814 106 HG12 VAL 12 2HG1 VAL 12 -3.195 -6.900 -2.433 107 HG13 VAL 12 3HG1 VAL 12 -4.337 -5.898 -1.536 108 HG21 VAL 12 3HG2 VAL 12 -0.928 -5.518 -2.484 109 HG22 VAL 12 1HG2 VAL 12 -1.033 -7.160 -1.848 110 HG23 VAL 12 2HG2 VAL 12 -0.170 -5.917 -0.941 111 H GLY 13 H GLY 13 -2.573 -4.588 1.520 112 HA2 GLY 13 2HA GLY 13 -5.251 -4.216 2.197 113 HA3 GLY 13 1HA GLY 13 -3.927 -3.902 3.303 114 H LYS 14 H LYS 14 -2.816 -1.844 1.509 115 HA LYS 14 HA LYS 14 -4.166 0.433 2.598 116 HB2 LYS 14 2HB LYS 14 -2.198 0.330 0.303 117 HB3 LYS 14 1HB LYS 14 -2.462 1.669 1.419 118 HG2 LYS 14 2HG LYS 14 -1.259 -1.035 2.051 119 HG3 LYS 14 1HG LYS 14 -0.465 0.534 2.136 120 HD2 LYS 14 2HD LYS 14 -1.080 0.642 4.298 121 HD3 LYS 14 1HD LYS 14 -2.749 0.792 3.750 122 HE2 LYS 14 2HE LYS 14 -2.270 -1.125 5.398 123 HE3 LYS 14 1HE LYS 14 -3.100 -1.589 3.901 124 HZ1 LYS 14 3HZ LYS 14 -1.273 -2.606 3.087 125 HZ2 LYS 14 1HZ LYS 14 -0.839 -2.734 4.723 126 HZ3 LYS 14 2HZ LYS 14 -0.200 -1.480 3.771 127 H THR 15 H THR 15 -4.276 -1.165 -0.559 128 HA THR 15 HA THR 15 -5.864 0.967 -1.781 129 HB THR 15 HB THR 15 -5.924 -0.696 -3.661 130 HG1 THR 15 1HG THR 15 -4.309 -2.480 -3.080 131 HG21 THR 15 3HG2 THR 15 -3.754 0.748 -2.623 132 HG22 THR 15 1HG2 THR 15 -3.912 0.114 -4.262 133 HG23 THR 15 2HG2 THR 15 -3.099 -0.841 -3.021 134 H ILE 16 H ILE 16 -6.474 -2.392 -0.879 135 HA ILE 16 HA ILE 16 -9.178 -2.579 -1.533 136 HB ILE 16 HB ILE 16 -9.196 -4.254 0.416 137 HG12 ILE 16 2HG1 ILE 16 -6.473 -4.559 0.828 138 HG13 ILE 16 1HG1 ILE 16 -6.687 -2.812 0.914 139 HG21 ILE 16 1HG2 ILE 16 -8.716 -5.343 -1.539 140 HG22 ILE 16 2HG2 ILE 16 -7.121 -5.484 -0.798 141 HG23 ILE 16 3HG2 ILE 16 -7.437 -4.211 -1.978 142 HD11 ILE 16 3HD1 ILE 16 -7.953 -4.948 2.615 143 HD12 ILE 16 1HD1 ILE 16 -8.720 -3.368 2.446 144 HD13 ILE 16 2HD1 ILE 16 -7.095 -3.492 3.123 145 H HIS 17 H HIS 17 -7.911 -1.672 1.717 146 HA HIS 17 HA HIS 17 -10.432 -0.985 2.789 147 HB2 HIS 17 2HB HIS 17 -9.158 -0.514 4.647 148 HB3 HIS 17 1HB HIS 17 -7.944 -1.381 3.721 149 HD1 HIS 17 1HD HIS 17 -6.794 0.545 1.831 150 HD2 HIS 17 2HD HIS 17 -7.982 1.770 5.635 151 HE1 HIS 17 1HE HIS 17 -5.540 2.691 2.317 152 H ARG 18 H ARG 18 -8.307 0.712 0.679 153 HA ARG 18 HA ARG 18 -9.303 3.362 1.200 154 HB2 ARG 18 2HB ARG 18 -7.115 3.187 0.326 155 HB3 ARG 18 1HB ARG 18 -7.618 2.023 -0.898 156 HG2 ARG 18 2HG ARG 18 -7.223 4.236 -1.908 157 HG3 ARG 18 1HG ARG 18 -8.925 3.785 -2.036 158 HD2 ARG 18 2HD ARG 18 -8.652 5.107 0.459 159 HD3 ARG 18 1HD ARG 18 -7.789 6.095 -0.738 160 HE ARG 18 HE ARG 18 -10.661 5.328 -0.894 161 HH11 ARG 18 1HH2 ARG 18 -9.621 5.352 -3.627 162 HH12 ARG 18 2HH2 ARG 18 -9.747 7.016 -4.091 163 HH21 ARG 18 1HH1 ARG 18 -10.079 8.174 -0.841 164 HH22 ARG 18 2HH1 ARG 18 -10.006 8.613 -2.514 165 H LEU 19 H LEU 19 -9.983 0.853 -1.146 166 HA LEU 19 HA LEU 19 -11.861 2.449 -2.662 167 HB2 LEU 19 2HB LEU 19 -10.749 0.838 -3.922 168 HB3 LEU 19 1HB LEU 19 -10.800 -0.349 -2.622 169 HG LEU 19 HG LEU 19 -13.402 0.538 -3.781 170 HD11 LEU 19 1HD1 LEU 19 -11.256 -0.572 -5.367 171 HD12 LEU 19 2HD1 LEU 19 -12.879 -0.105 -5.877 172 HD13 LEU 19 3HD1 LEU 19 -12.582 -1.730 -5.257 173 HD21 LEU 19 3HD2 LEU 19 -13.056 -2.288 -3.481 174 HD22 LEU 19 1HD2 LEU 19 -14.057 -1.205 -2.513 175 HD23 LEU 19 2HD2 LEU 19 -12.378 -1.498 -2.055 176 H VAL 20 H VAL 20 -12.179 -0.422 -0.529 177 HA VAL 20 HA VAL 20 -14.912 -0.754 -0.502 178 HB VAL 20 HB VAL 20 -13.232 -2.139 0.653 179 HG11 VAL 20 1HG1 VAL 20 -12.266 -1.396 2.764 180 HG12 VAL 20 2HG1 VAL 20 -13.174 0.113 2.684 181 HG13 VAL 20 3HG1 VAL 20 -11.893 -0.209 1.514 182 HG21 VAL 20 3HG2 VAL 20 -14.560 -2.669 2.588 183 HG22 VAL 20 1HG2 VAL 20 -15.668 -2.141 1.320 184 HG23 VAL 20 2HG2 VAL 20 -15.240 -1.040 2.632 185 H THR 21 H THR 21 -13.075 1.547 1.431 186 HA THR 21 HA THR 21 -15.490 2.694 2.590 187 HB THR 21 HB THR 21 -12.919 4.088 2.907 188 HG1 THR 21 1HG THR 21 -11.969 2.158 2.787 189 HG21 THR 21 3HG2 THR 21 -13.533 3.559 5.345 190 HG22 THR 21 1HG2 THR 21 -15.035 2.897 4.699 191 HG23 THR 21 2HG2 THR 21 -14.643 4.599 4.452 192 H GLY 22 H GLY 22 -13.704 3.092 -0.239 193 HA2 GLY 22 1HA GLY 22 -13.507 5.767 -0.818 194 HA3 GLY 22 2HA GLY 22 -14.064 4.603 -2.018 Start of MODEL 7 1 H1 PHE 1 1HT PHE 1 11.502 -1.041 2.408 2 H2 PHE 1 2HT PHE 1 12.690 -0.039 3.097 3 H3 PHE 1 3HT PHE 1 12.433 -1.603 3.710 4 HA PHE 1 HA PHE 1 13.221 -1.250 0.887 5 HB2 PHE 1 2HB PHE 1 15.585 -1.358 1.740 6 HB3 PHE 1 1HB PHE 1 14.748 0.126 2.197 7 HD1 PHE 1 2HD PHE 1 16.056 -3.104 3.393 8 HD2 PHE 1 1HD PHE 1 14.043 0.526 4.500 9 HE1 PHE 1 2HE PHE 1 16.452 -3.614 5.787 10 HE2 PHE 1 1HE PHE 1 14.440 0.016 6.894 11 HZ PHE 1 HZ PHE 1 15.644 -2.054 7.538 12 H PHE 2 H PHE 2 14.341 -3.241 0.191 13 HA PHE 2 HA PHE 2 14.436 -5.562 1.968 14 HB2 PHE 2 2HB PHE 2 11.967 -4.967 1.142 15 HB3 PHE 2 1HB PHE 2 12.501 -5.831 -0.300 16 HD1 PHE 2 2HD PHE 2 14.495 -7.646 1.269 17 HD2 PHE 2 1HD PHE 2 10.348 -6.668 1.812 18 HE1 PHE 2 2HE PHE 2 14.136 -9.809 2.427 19 HE2 PHE 2 1HE PHE 2 9.989 -8.831 2.971 20 HZ PHE 2 HZ PHE 2 11.883 -10.402 3.278 21 H HIS 3 H HIS 3 13.812 -7.221 -0.573 22 HA HIS 3 HA HIS 3 16.552 -6.984 -1.724 23 HB2 HIS 3 2HB HIS 3 15.525 -9.109 -0.700 24 HB3 HIS 3 1HB HIS 3 14.499 -9.168 -2.133 25 HD1 HIS 3 1HD HIS 3 17.050 -7.879 -3.838 26 HD2 HIS 3 2HD HIS 3 16.867 -11.481 -1.748 27 HE1 HIS 3 1HE HIS 3 18.841 -9.371 -4.827 28 H HIS 4 H HIS 4 13.139 -6.762 -2.575 29 HA HIS 4 HA HIS 4 13.686 -5.318 -5.012 30 HB2 HIS 4 2HB HIS 4 14.321 -7.865 -5.338 31 HB3 HIS 4 1HB HIS 4 12.579 -8.060 -5.529 32 HD1 HIS 4 1HD HIS 4 15.454 -6.040 -6.990 33 HD2 HIS 4 2HD HIS 4 11.620 -7.307 -8.029 34 HE1 HIS 4 1HE HIS 4 15.111 -5.378 -9.412 35 H ILE 5 H ILE 5 11.247 -7.790 -4.094 36 HA ILE 5 HA ILE 5 9.096 -5.949 -4.768 37 HB ILE 5 HB ILE 5 7.776 -7.941 -4.587 38 HG12 ILE 5 2HG1 ILE 5 9.166 -10.051 -3.756 39 HG13 ILE 5 1HG1 ILE 5 10.054 -8.814 -2.864 40 HG21 ILE 5 1HG2 ILE 5 9.152 -7.908 -6.575 41 HG22 ILE 5 2HG2 ILE 5 9.136 -9.558 -5.952 42 HG23 ILE 5 3HG2 ILE 5 10.536 -8.524 -5.673 43 HD11 ILE 5 3HD1 ILE 5 7.288 -9.794 -2.483 44 HD12 ILE 5 1HD1 ILE 5 7.486 -8.045 -2.370 45 HD13 ILE 5 2HD1 ILE 5 8.412 -9.106 -1.310 46 H PHE 6 H PHE 6 7.768 -4.958 -3.261 47 HA PHE 6 HA PHE 6 7.490 -5.878 -0.532 48 HB2 PHE 6 2HB PHE 6 8.575 -3.647 0.338 49 HB3 PHE 6 1HB PHE 6 9.609 -5.017 -0.058 50 HD1 PHE 6 2HD PHE 6 8.105 -1.949 -1.593 51 HD2 PHE 6 1HD PHE 6 11.367 -4.741 -1.578 52 HE1 PHE 6 2HE PHE 6 9.311 -0.550 -3.248 53 HE2 PHE 6 1HE PHE 6 12.576 -3.340 -3.229 54 HZ PHE 6 HZ PHE 6 11.547 -1.245 -4.064 55 H ARG 7 H ARG 7 7.086 -3.290 -2.920 56 HA ARG 7 HA ARG 7 5.183 -1.688 -1.538 57 HB2 ARG 7 2HB ARG 7 5.733 -2.362 -4.431 58 HB3 ARG 7 1HB ARG 7 4.554 -1.155 -3.958 59 HG2 ARG 7 2HG ARG 7 6.263 0.136 -2.798 60 HG3 ARG 7 1HG ARG 7 7.462 -1.108 -3.141 61 HD2 ARG 7 2HD ARG 7 6.043 0.662 -5.156 62 HD3 ARG 7 1HD ARG 7 7.781 0.606 -4.805 63 HE ARG 7 HE ARG 7 7.165 -2.015 -5.469 64 HH11 ARG 7 1HH1 ARG 7 7.072 1.109 -6.919 65 HH12 ARG 7 2HH1 ARG 7 7.004 0.501 -8.540 66 HH21 ARG 7 1HH2 ARG 7 6.926 -2.828 -7.576 67 HH22 ARG 7 2HH2 ARG 7 6.922 -1.725 -8.911 68 HA PRO 8 HA PRO 8 1.936 -4.475 -3.630 69 HB2 PRO 8 2HB PRO 8 2.669 -6.991 -4.380 70 HB3 PRO 8 1HB PRO 8 2.719 -5.592 -5.472 71 HG2 PRO 8 2HG PRO 8 4.915 -6.993 -4.100 72 HG3 PRO 8 1HG PRO 8 4.903 -6.105 -5.625 73 HD2 PRO 8 2HD PRO 8 5.889 -5.174 -3.188 74 HD3 PRO 8 1HD PRO 8 5.559 -4.197 -4.631 75 H ILE 9 H ILE 9 4.101 -5.163 -1.195 76 HA ILE 9 HA ILE 9 2.569 -7.431 -0.056 77 HB ILE 9 HB ILE 9 4.966 -5.961 1.062 78 HG12 ILE 9 2HG1 ILE 9 5.590 -6.598 -1.175 79 HG13 ILE 9 1HG1 ILE 9 6.282 -7.806 -0.090 80 HG21 ILE 9 1HG2 ILE 9 4.145 -8.863 1.333 81 HG22 ILE 9 2HG2 ILE 9 3.658 -7.617 2.482 82 HG23 ILE 9 3HG2 ILE 9 5.366 -7.999 2.266 83 HD11 ILE 9 3HD1 ILE 9 4.235 -9.226 -0.501 84 HD12 ILE 9 1HD1 ILE 9 5.248 -8.987 -1.924 85 HD13 ILE 9 2HD1 ILE 9 3.755 -8.066 -1.741 86 H VAL 10 H VAL 10 2.698 -4.029 0.122 87 HA VAL 10 HA VAL 10 1.101 -4.073 2.617 88 HB VAL 10 HB VAL 10 3.131 -2.053 1.641 89 HG11 VAL 10 1HG1 VAL 10 1.126 -2.046 3.864 90 HG12 VAL 10 2HG1 VAL 10 1.680 -0.711 2.853 91 HG13 VAL 10 3HG1 VAL 10 2.703 -1.312 4.159 92 HG21 VAL 10 3HG2 VAL 10 3.309 -4.472 3.209 93 HG22 VAL 10 1HG2 VAL 10 3.745 -3.081 4.204 94 HG23 VAL 10 2HG2 VAL 10 4.606 -3.392 2.696 95 H HIS 11 H HIS 11 1.701 -2.412 -0.470 96 HA HIS 11 HA HIS 11 -0.363 -0.487 -0.367 97 HB2 HIS 11 2HB HIS 11 1.162 -1.978 -2.448 98 HB3 HIS 11 1HB HIS 11 -0.272 -1.104 -2.983 99 HD1 HIS 11 1HD HIS 11 1.809 0.313 -4.206 100 HD2 HIS 11 2HD HIS 11 1.244 0.843 -0.111 101 HE1 HIS 11 1HE HIS 11 2.979 2.475 -3.595 102 H VAL 12 H VAL 12 -0.584 -3.897 -0.546 103 HA VAL 12 HA VAL 12 -3.116 -4.144 -1.917 104 HB VAL 12 HB VAL 12 -1.979 -5.995 0.189 105 HG11 VAL 12 1HG1 VAL 12 -4.221 -6.407 -0.973 106 HG12 VAL 12 2HG1 VAL 12 -3.039 -7.711 -1.087 107 HG13 VAL 12 3HG1 VAL 12 -3.296 -6.631 -2.459 108 HG21 VAL 12 3HG2 VAL 12 -0.048 -5.651 -1.074 109 HG22 VAL 12 1HG2 VAL 12 -0.950 -5.320 -2.552 110 HG23 VAL 12 2HG2 VAL 12 -0.803 -6.975 -1.959 111 H GLY 13 H GLY 13 -2.415 -4.708 1.557 112 HA2 GLY 13 2HA GLY 13 -5.101 -4.558 2.390 113 HA3 GLY 13 1HA GLY 13 -3.725 -4.298 3.451 114 H LYS 14 H LYS 14 -2.873 -2.081 1.561 115 HA LYS 14 HA LYS 14 -4.321 0.046 2.919 116 HB2 LYS 14 2HB LYS 14 -1.839 -0.343 1.369 117 HB3 LYS 14 1HB LYS 14 -2.572 1.255 1.217 118 HG2 LYS 14 2HG LYS 14 -1.232 1.538 3.107 119 HG3 LYS 14 1HG LYS 14 -2.778 1.097 3.834 120 HD2 LYS 14 2HD LYS 14 -0.787 -1.036 3.109 121 HD3 LYS 14 1HD LYS 14 -0.622 -0.148 4.623 122 HE2 LYS 14 2HE LYS 14 -2.386 -1.232 5.573 123 HE3 LYS 14 1HE LYS 14 -3.364 -1.111 4.096 124 HZ1 LYS 14 3HZ LYS 14 -2.599 -3.418 4.665 125 HZ2 LYS 14 1HZ LYS 14 -1.014 -2.906 4.347 126 HZ3 LYS 14 2HZ LYS 14 -2.175 -2.888 3.107 127 H THR 15 H THR 15 -4.323 -1.483 -0.210 128 HA THR 15 HA THR 15 -5.754 0.735 -1.514 129 HB THR 15 HB THR 15 -5.807 -1.113 -3.351 130 HG1 THR 15 1HG THR 15 -4.320 -2.750 -2.974 131 HG21 THR 15 3HG2 THR 15 -4.265 0.514 -3.848 132 HG22 THR 15 1HG2 THR 15 -3.145 -0.799 -3.481 133 HG23 THR 15 2HG2 THR 15 -3.503 0.423 -2.259 134 H ILE 16 H ILE 16 -6.416 -2.650 -0.748 135 HA ILE 16 HA ILE 16 -9.072 -2.867 -1.512 136 HB ILE 16 HB ILE 16 -9.168 -4.411 0.604 137 HG12 ILE 16 2HG1 ILE 16 -6.325 -4.662 0.752 138 HG13 ILE 16 1HG1 ILE 16 -6.728 -2.979 1.076 139 HG21 ILE 16 1HG2 ILE 16 -8.165 -4.691 -1.980 140 HG22 ILE 16 2HG2 ILE 16 -8.528 -6.003 -0.857 141 HG23 ILE 16 3HG2 ILE 16 -6.891 -5.353 -0.955 142 HD11 ILE 16 3HD1 ILE 16 -7.412 -5.420 2.629 143 HD12 ILE 16 1HD1 ILE 16 -8.646 -4.163 2.549 144 HD13 ILE 16 2HD1 ILE 16 -7.049 -3.791 3.197 145 H HIS 17 H HIS 17 -8.103 -2.034 1.852 146 HA HIS 17 HA HIS 17 -10.652 -1.182 2.676 147 HB2 HIS 17 2HB HIS 17 -9.522 -0.719 4.635 148 HB3 HIS 17 1HB HIS 17 -8.317 -1.722 3.843 149 HD1 HIS 17 1HD HIS 17 -6.435 -0.332 2.435 150 HD2 HIS 17 2HD HIS 17 -8.648 1.842 5.220 151 HE1 HIS 17 1HE HIS 17 -5.149 1.809 2.860 152 H ARG 18 H ARG 18 -8.247 0.397 0.779 153 HA ARG 18 HA ARG 18 -9.195 3.090 1.199 154 HB2 ARG 18 2HB ARG 18 -6.897 2.730 0.630 155 HB3 ARG 18 1HB ARG 18 -7.340 1.738 -0.759 156 HG2 ARG 18 2HG ARG 18 -7.161 3.620 -1.991 157 HG3 ARG 18 1HG ARG 18 -8.664 4.137 -1.228 158 HD2 ARG 18 2HD ARG 18 -7.602 5.702 0.040 159 HD3 ARG 18 1HD ARG 18 -6.279 4.590 0.446 160 HE ARG 18 HE ARG 18 -6.445 5.854 -2.262 161 HH11 ARG 18 1HH2 ARG 18 -4.996 6.125 0.766 162 HH12 ARG 18 2HH2 ARG 18 -3.371 6.196 0.172 163 HH21 ARG 18 1HH1 ARG 18 -4.254 5.469 -3.101 164 HH22 ARG 18 2HH1 ARG 18 -2.950 5.824 -2.018 165 H LEU 19 H LEU 19 -9.914 0.486 -0.970 166 HA LEU 19 HA LEU 19 -11.233 2.040 -2.995 167 HB2 LEU 19 2HB LEU 19 -10.484 -0.035 -3.723 168 HB3 LEU 19 1HB LEU 19 -10.907 -0.827 -2.206 169 HG LEU 19 HG LEU 19 -13.138 0.287 -3.843 170 HD11 LEU 19 1HD1 LEU 19 -11.653 -2.276 -4.504 171 HD12 LEU 19 2HD1 LEU 19 -11.768 -0.848 -5.535 172 HD13 LEU 19 3HD1 LEU 19 -13.209 -1.805 -5.187 173 HD21 LEU 19 3HD2 LEU 19 -13.386 -2.420 -2.844 174 HD22 LEU 19 1HD2 LEU 19 -14.313 -0.986 -2.397 175 HD23 LEU 19 2HD2 LEU 19 -12.796 -1.350 -1.571 176 H VAL 20 H VAL 20 -12.439 -0.010 -0.313 177 HA VAL 20 HA VAL 20 -15.182 0.414 -0.684 178 HB VAL 20 HB VAL 20 -14.430 -1.256 0.831 179 HG11 VAL 20 1HG1 VAL 20 -12.491 -0.969 1.933 180 HG12 VAL 20 2HG1 VAL 20 -13.254 0.249 2.957 181 HG13 VAL 20 3HG1 VAL 20 -12.471 0.727 1.452 182 HG21 VAL 20 3HG2 VAL 20 -16.460 -0.150 1.620 183 HG22 VAL 20 1HG2 VAL 20 -15.499 1.089 2.425 184 HG23 VAL 20 2HG2 VAL 20 -15.451 -0.577 3.001 185 H THR 21 H THR 21 -12.767 2.451 0.793 186 HA THR 21 HA THR 21 -14.675 4.328 1.910 187 HB THR 21 HB THR 21 -11.894 5.186 1.459 188 HG1 THR 21 1HG THR 21 -11.301 3.142 1.712 189 HG21 THR 21 3HG2 THR 21 -13.979 5.594 3.311 190 HG22 THR 21 1HG2 THR 21 -12.357 6.284 3.365 191 HG23 THR 21 2HG2 THR 21 -12.699 4.769 4.201 192 H GLY 22 H GLY 22 -13.390 3.734 -1.159 193 HA2 GLY 22 1HA GLY 22 -12.903 6.125 -2.408 194 HA3 GLY 22 2HA GLY 22 -13.834 4.851 -3.192 Start of MODEL 8 1 H1 PHE 1 1HT PHE 1 19.121 -3.000 6.296 2 H2 PHE 1 2HT PHE 1 20.665 -3.470 6.829 3 H3 PHE 1 3HT PHE 1 19.292 -4.350 7.307 4 HA PHE 1 HA PHE 1 20.457 -4.195 4.575 5 HB2 PHE 1 2HB PHE 1 20.323 -6.128 6.863 6 HB3 PHE 1 1HB PHE 1 20.365 -6.774 5.222 7 HD1 PHE 1 1HD PHE 1 22.150 -5.519 3.634 8 HD2 PHE 1 2HD PHE 1 22.371 -5.787 7.916 9 HE1 PHE 1 1HE PHE 1 24.593 -5.111 3.534 10 HE2 PHE 1 2HE PHE 1 24.814 -5.381 7.815 11 HZ PHE 1 HZ PHE 1 25.926 -5.042 5.624 12 H PHE 2 H PHE 2 19.130 -4.977 2.911 13 HA PHE 2 HA PHE 2 16.281 -5.541 3.663 14 HB2 PHE 2 2HB PHE 2 15.931 -4.738 1.246 15 HB3 PHE 2 1HB PHE 2 16.470 -3.520 2.402 16 HD1 PHE 2 2HD PHE 2 17.781 -5.996 -0.083 17 HD2 PHE 2 1HD PHE 2 18.425 -2.289 1.989 18 HE1 PHE 2 2HE PHE 2 19.798 -5.574 -1.465 19 HE2 PHE 2 1HE PHE 2 20.441 -1.867 0.607 20 HZ PHE 2 HZ PHE 2 21.127 -3.509 -1.120 21 H HIS 3 H HIS 3 15.253 -7.326 2.655 22 HA HIS 3 HA HIS 3 17.113 -9.343 1.488 23 HB2 HIS 3 2HB HIS 3 14.346 -9.409 2.719 24 HB3 HIS 3 1HB HIS 3 15.092 -10.827 1.982 25 HD1 HIS 3 1HD HIS 3 17.377 -11.660 3.087 26 HD2 HIS 3 2HD HIS 3 15.277 -8.811 5.290 27 HE1 HIS 3 1HE HIS 3 18.350 -11.702 5.425 28 H HIS 4 H HIS 4 13.638 -8.680 0.942 29 HA HIS 4 HA HIS 4 14.054 -8.044 -1.884 30 HB2 HIS 4 2HB HIS 4 12.686 -10.183 -2.502 31 HB3 HIS 4 1HB HIS 4 14.405 -10.355 -2.156 32 HD1 HIS 4 1HD HIS 4 13.807 -12.875 -1.449 33 HD2 HIS 4 2HD HIS 4 12.218 -9.904 1.007 34 HE1 HIS 4 1HE HIS 4 13.083 -14.024 0.689 35 H ILE 5 H ILE 5 11.205 -9.878 -1.234 36 HA ILE 5 HA ILE 5 9.346 -7.947 -1.865 37 HB ILE 5 HB ILE 5 7.800 -9.419 -0.695 38 HG12 ILE 5 2HG1 ILE 5 8.956 -11.341 0.650 39 HG13 ILE 5 1HG1 ILE 5 10.300 -10.205 0.777 40 HG21 ILE 5 1HG2 ILE 5 9.412 -10.171 -2.718 41 HG22 ILE 5 2HG2 ILE 5 8.187 -11.239 -2.032 42 HG23 ILE 5 3HG2 ILE 5 9.868 -11.382 -1.519 43 HD11 ILE 5 3HD1 ILE 5 7.990 -10.277 2.388 44 HD12 ILE 5 1HD1 ILE 5 7.800 -8.866 1.349 45 HD13 ILE 5 2HD1 ILE 5 9.231 -9.023 2.366 46 H PHE 6 H PHE 6 7.927 -6.619 -0.523 47 HA PHE 6 HA PHE 6 8.088 -6.162 2.244 48 HB2 PHE 6 2HB PHE 6 10.460 -5.409 0.835 49 HB3 PHE 6 1HB PHE 6 9.675 -3.931 1.389 50 HD1 PHE 6 1HD PHE 6 8.741 -4.024 3.871 51 HD2 PHE 6 2HD PHE 6 11.845 -6.559 2.323 52 HE1 PHE 6 1HE PHE 6 9.536 -4.461 6.179 53 HE2 PHE 6 2HE PHE 6 12.639 -6.996 4.632 54 HZ PHE 6 HZ PHE 6 11.485 -5.947 6.560 55 H ARG 7 H ARG 7 8.328 -4.101 -0.688 56 HA ARG 7 HA ARG 7 6.354 -2.214 0.267 57 HB2 ARG 7 2HB ARG 7 7.469 -2.694 -2.510 58 HB3 ARG 7 1HB ARG 7 6.794 -1.202 -1.885 59 HG2 ARG 7 2HG ARG 7 8.672 -0.680 -0.681 60 HG3 ARG 7 1HG ARG 7 9.045 -2.368 -0.340 61 HD2 ARG 7 2HD ARG 7 9.394 -1.051 -3.057 62 HD3 ARG 7 1HD ARG 7 10.707 -1.361 -1.904 63 HE ARG 7 HE ARG 7 9.230 -3.780 -2.275 64 HH11 ARG 7 1HH2 ARG 7 10.890 -1.583 -4.313 65 HH12 ARG 7 2HH2 ARG 7 11.761 -2.812 -5.168 66 HH21 ARG 7 1HH1 ARG 7 10.552 -5.405 -3.209 67 HH22 ARG 7 2HH1 ARG 7 11.570 -4.975 -4.543 68 HA PRO 8 HA PRO 8 3.618 -4.371 -2.964 69 HB2 PRO 8 2HB PRO 8 4.252 -6.901 -3.768 70 HB3 PRO 8 1HB PRO 8 4.785 -5.438 -4.625 71 HG2 PRO 8 2HG PRO 8 6.272 -7.148 -2.697 72 HG3 PRO 8 1HG PRO 8 6.817 -6.377 -4.193 73 HD2 PRO 8 2HD PRO 8 7.386 -5.368 -1.758 74 HD3 PRO 8 1HD PRO 8 7.173 -4.354 -3.198 75 H ILE 9 H ILE 9 4.763 -5.460 -0.064 76 HA ILE 9 HA ILE 9 2.690 -7.576 0.250 77 HB ILE 9 HB ILE 9 5.383 -7.177 1.094 78 HG12 ILE 9 2HG1 ILE 9 4.074 -9.428 2.359 79 HG13 ILE 9 1HG1 ILE 9 3.521 -9.245 0.694 80 HG21 ILE 9 1HG2 ILE 9 5.122 -7.688 3.545 81 HG22 ILE 9 2HG2 ILE 9 3.411 -7.285 3.396 82 HG23 ILE 9 3HG2 ILE 9 4.637 -6.051 3.105 83 HD11 ILE 9 3HD1 ILE 9 6.195 -9.975 1.722 84 HD12 ILE 9 1HD1 ILE 9 6.197 -8.820 0.388 85 HD13 ILE 9 2HD1 ILE 9 5.424 -10.394 0.192 86 H VAL 10 H VAL 10 2.985 -4.284 0.689 87 HA VAL 10 HA VAL 10 0.999 -4.310 2.888 88 HB VAL 10 HB VAL 10 3.239 -2.364 2.297 89 HG11 VAL 10 1HG1 VAL 10 1.717 -2.230 4.841 90 HG12 VAL 10 2HG1 VAL 10 0.853 -1.685 3.403 91 HG13 VAL 10 3HG1 VAL 10 2.380 -0.925 3.856 92 HG21 VAL 10 3HG2 VAL 10 3.067 -3.687 4.920 93 HG22 VAL 10 1HG2 VAL 10 4.460 -3.475 3.858 94 HG23 VAL 10 2HG2 VAL 10 3.333 -4.803 3.581 95 H HIS 11 H HIS 11 2.116 -2.701 -0.067 96 HA HIS 11 HA HIS 11 0.221 -0.631 -0.270 97 HB2 HIS 11 2HB HIS 11 1.484 -2.415 -2.369 98 HB3 HIS 11 1HB HIS 11 0.661 -0.897 -2.731 99 HD1 HIS 11 1HD HIS 11 1.876 0.340 0.090 100 HD2 HIS 11 2HD HIS 11 3.972 -1.157 -3.188 101 HE1 HIS 11 1HE HIS 11 4.185 1.376 0.182 102 H VAL 12 H VAL 12 -0.282 -4.018 -0.438 103 HA VAL 12 HA VAL 12 -2.679 -4.007 -2.080 104 HB VAL 12 HB VAL 12 -1.881 -6.044 0.009 105 HG11 VAL 12 1HG1 VAL 12 -2.652 -7.493 -2.058 106 HG12 VAL 12 2HG1 VAL 12 -3.461 -6.003 -2.542 107 HG13 VAL 12 3HG1 VAL 12 -3.855 -6.759 -0.998 108 HG21 VAL 12 3HG2 VAL 12 0.181 -5.712 -1.087 109 HG22 VAL 12 1HG2 VAL 12 -0.594 -5.385 -2.638 110 HG23 VAL 12 2HG2 VAL 12 -0.551 -7.030 -2.003 111 H GLY 13 H GLY 13 -2.232 -4.582 1.435 112 HA2 GLY 13 2HA GLY 13 -4.951 -4.453 2.122 113 HA3 GLY 13 1HA GLY 13 -3.639 -4.109 3.240 114 H LYS 14 H LYS 14 -2.867 -1.952 1.123 115 HA LYS 14 HA LYS 14 -4.234 0.218 2.471 116 HB2 LYS 14 2HB LYS 14 -1.943 -0.239 0.699 117 HB3 LYS 14 1HB LYS 14 -2.776 1.286 0.389 118 HG2 LYS 14 2HG LYS 14 -1.282 1.918 2.063 119 HG3 LYS 14 1HG LYS 14 -2.716 1.518 3.011 120 HD2 LYS 14 2HD LYS 14 -0.696 -0.617 2.390 121 HD3 LYS 14 1HD LYS 14 -0.398 0.511 3.712 122 HE2 LYS 14 2HE LYS 14 -1.894 -0.551 5.045 123 HE3 LYS 14 1HE LYS 14 -3.131 -0.527 3.774 124 HZ1 LYS 14 3HZ LYS 14 -2.507 -2.794 4.167 125 HZ2 LYS 14 1HZ LYS 14 -0.859 -2.426 4.014 126 HZ3 LYS 14 2HZ LYS 14 -1.878 -2.329 2.659 127 H THR 15 H THR 15 -4.546 -1.454 -0.600 128 HA THR 15 HA THR 15 -6.248 0.632 -1.774 129 HB THR 15 HB THR 15 -6.480 -1.321 -3.497 130 HG1 THR 15 1HG THR 15 -4.312 -2.527 -3.042 131 HG21 THR 15 3HG2 THR 15 -4.876 -0.180 -4.590 132 HG22 THR 15 1HG2 THR 15 -3.641 -0.704 -3.444 133 HG23 THR 15 2HG2 THR 15 -4.616 0.726 -3.099 134 H ILE 16 H ILE 16 -6.673 -2.692 -0.666 135 HA ILE 16 HA ILE 16 -9.385 -3.073 -1.113 136 HB ILE 16 HB ILE 16 -9.172 -4.404 1.153 137 HG12 ILE 16 2HG1 ILE 16 -6.300 -4.521 0.843 138 HG13 ILE 16 1HG1 ILE 16 -6.790 -2.872 1.225 139 HG21 ILE 16 1HG2 ILE 16 -8.314 -6.194 -0.070 140 HG22 ILE 16 2HG2 ILE 16 -7.159 -5.180 -0.935 141 HG23 ILE 16 3HG2 ILE 16 -8.871 -5.123 -1.356 142 HD11 ILE 16 3HD1 ILE 16 -7.472 -5.376 2.787 143 HD12 ILE 16 1HD1 ILE 16 -8.168 -3.790 3.117 144 HD13 ILE 16 2HD1 ILE 16 -6.435 -4.049 3.311 145 H HIS 17 H HIS 17 -8.176 -2.028 2.107 146 HA HIS 17 HA HIS 17 -10.660 -1.155 3.074 147 HB2 HIS 17 2HB HIS 17 -9.386 -0.476 4.899 148 HB3 HIS 17 1HB HIS 17 -8.306 -1.631 4.133 149 HD1 HIS 17 1HD HIS 17 -8.415 1.780 5.316 150 HD2 HIS 17 2HD HIS 17 -6.406 -0.217 2.263 151 HE1 HIS 17 1HE HIS 17 -6.477 3.269 4.642 152 H ARG 18 H ARG 18 -8.441 0.396 0.934 153 HA ARG 18 HA ARG 18 -9.291 3.100 1.329 154 HB2 ARG 18 2HB ARG 18 -7.153 2.678 0.383 155 HB3 ARG 18 1HB ARG 18 -7.831 1.586 -0.823 156 HG2 ARG 18 2HG ARG 18 -7.301 3.725 -1.871 157 HG3 ARG 18 1HG ARG 18 -9.050 3.507 -1.832 158 HD2 ARG 18 2HD ARG 18 -9.235 5.465 -0.708 159 HD3 ARG 18 1HD ARG 18 -8.294 4.764 0.622 160 HE ARG 18 HE ARG 18 -6.790 5.744 -1.741 161 HH11 ARG 18 1HH1 ARG 18 -6.505 5.167 1.482 162 HH12 ARG 18 2HH1 ARG 18 -5.849 6.710 1.915 163 HH21 ARG 18 1HH2 ARG 18 -6.498 8.151 -1.171 164 HH22 ARG 18 2HH2 ARG 18 -5.845 8.399 0.414 165 H LEU 19 H LEU 19 -9.597 1.433 -1.729 166 HA LEU 19 HA LEU 19 -11.623 2.788 -2.942 167 HB2 LEU 19 2HB LEU 19 -12.266 0.499 -3.912 168 HB3 LEU 19 1HB LEU 19 -10.568 0.954 -4.037 169 HG LEU 19 HG LEU 19 -10.682 -0.284 -1.566 170 HD11 LEU 19 1HD1 LEU 19 -12.180 -2.114 -3.420 171 HD12 LEU 19 2HD1 LEU 19 -13.071 -0.961 -2.427 172 HD13 LEU 19 3HD1 LEU 19 -12.048 -2.178 -1.662 173 HD21 LEU 19 3HD2 LEU 19 -8.936 -0.579 -3.267 174 HD22 LEU 19 1HD2 LEU 19 -10.060 -1.481 -4.284 175 HD23 LEU 19 2HD2 LEU 19 -9.536 -2.151 -2.739 176 H VAL 20 H VAL 20 -12.308 0.002 -0.749 177 HA VAL 20 HA VAL 20 -15.065 0.056 -0.736 178 HB VAL 20 HB VAL 20 -13.714 -1.572 0.452 179 HG11 VAL 20 1HG1 VAL 20 -13.003 0.668 2.368 180 HG12 VAL 20 2HG1 VAL 20 -11.936 0.102 1.083 181 HG13 VAL 20 3HG1 VAL 20 -12.393 -0.987 2.393 182 HG21 VAL 20 3HG2 VAL 20 -15.455 0.116 2.262 183 HG22 VAL 20 1HG2 VAL 20 -14.830 -1.469 2.715 184 HG23 VAL 20 2HG2 VAL 20 -15.936 -1.314 1.351 185 H THR 21 H THR 21 -12.892 2.072 1.138 186 HA THR 21 HA THR 21 -15.165 3.809 1.894 187 HB THR 21 HB THR 21 -13.788 2.589 3.658 188 HG1 THR 21 1HG THR 21 -14.959 4.515 4.094 189 HG21 THR 21 3HG2 THR 21 -11.546 2.987 3.901 190 HG22 THR 21 1HG2 THR 21 -11.673 4.650 3.327 191 HG23 THR 21 2HG2 THR 21 -11.658 3.317 2.172 192 H GLY 22 H GLY 22 -13.591 3.836 -0.645 193 HA2 GLY 22 1HA GLY 22 -11.582 5.659 -0.944 194 HA3 GLY 22 2HA GLY 22 -12.930 5.598 -2.076 Start of MODEL 9 1 H1 PHE 1 1HT PHE 1 19.694 -5.847 2.956 2 H2 PHE 1 2HT PHE 1 19.975 -7.119 1.866 3 H3 PHE 1 3HT PHE 1 20.838 -7.042 3.328 4 HA PHE 1 HA PHE 1 19.083 -8.717 3.462 5 HB2 PHE 1 2HB PHE 1 19.818 -7.569 5.459 6 HB3 PHE 1 1HB PHE 1 18.842 -6.154 5.065 7 HD1 PHE 1 2HD PHE 1 18.746 -9.677 6.187 8 HD2 PHE 1 1HD PHE 1 16.454 -6.120 5.447 9 HE1 PHE 1 2HE PHE 1 16.817 -10.670 7.389 10 HE2 PHE 1 1HE PHE 1 14.525 -7.114 6.650 11 HZ PHE 1 HZ PHE 1 14.707 -9.389 7.620 12 H PHE 2 H PHE 2 18.265 -5.990 1.707 13 HA PHE 2 HA PHE 2 15.326 -6.316 2.021 14 HB2 PHE 2 2HB PHE 2 17.249 -4.322 0.907 15 HB3 PHE 2 1HB PHE 2 15.635 -4.369 0.197 16 HD1 PHE 2 1HD PHE 2 16.366 -5.289 3.703 17 HD2 PHE 2 2HD PHE 2 14.867 -2.244 1.069 18 HE1 PHE 2 1HE PHE 2 15.470 -4.044 5.652 19 HE2 PHE 2 2HE PHE 2 13.972 -0.999 3.018 20 HZ PHE 2 HZ PHE 2 14.274 -1.898 5.310 21 H HIS 3 H HIS 3 17.939 -6.978 -0.239 22 HA HIS 3 HA HIS 3 17.950 -8.154 -2.288 23 HB2 HIS 3 2HB HIS 3 17.039 -9.927 -0.971 24 HB3 HIS 3 1HB HIS 3 15.465 -9.136 -0.868 25 HD1 HIS 3 1HD HIS 3 17.401 -9.423 -4.091 26 HD2 HIS 3 2HD HIS 3 14.056 -11.135 -2.286 27 HE1 HIS 3 1HE HIS 3 16.251 -10.801 -5.876 28 H HIS 4 H HIS 4 14.423 -7.991 -2.122 29 HA HIS 4 HA HIS 4 14.222 -5.669 -3.895 30 HB2 HIS 4 2HB HIS 4 14.977 -7.242 -5.526 31 HB3 HIS 4 1HB HIS 4 13.952 -8.519 -4.872 32 HD1 HIS 4 1HD HIS 4 12.716 -8.819 -7.151 33 HD2 HIS 4 2HD HIS 4 12.338 -5.005 -5.510 34 HE1 HIS 4 1HE HIS 4 10.874 -7.660 -8.448 35 H ILE 5 H ILE 5 12.139 -8.514 -4.047 36 HA ILE 5 HA ILE 5 9.687 -7.321 -3.720 37 HB ILE 5 HB ILE 5 9.866 -9.638 -4.198 38 HG12 ILE 5 2HG1 ILE 5 7.970 -8.879 -2.615 39 HG13 ILE 5 1HG1 ILE 5 8.279 -10.606 -2.741 40 HG21 ILE 5 1HG2 ILE 5 10.734 -11.089 -2.100 41 HG22 ILE 5 2HG2 ILE 5 11.668 -9.618 -1.838 42 HG23 ILE 5 3HG2 ILE 5 11.813 -10.493 -3.362 43 HD11 ILE 5 3HD1 ILE 5 8.542 -8.831 -0.424 44 HD12 ILE 5 1HD1 ILE 5 9.971 -9.826 -0.679 45 HD13 ILE 5 2HD1 ILE 5 8.397 -10.586 -0.481 46 H PHE 6 H PHE 6 8.960 -5.935 -2.172 47 HA PHE 6 HA PHE 6 9.164 -6.611 0.667 48 HB2 PHE 6 2HB PHE 6 11.393 -5.697 0.175 49 HB3 PHE 6 1HB PHE 6 10.658 -4.245 -0.506 50 HD1 PHE 6 1HD PHE 6 9.162 -2.819 1.009 51 HD2 PHE 6 2HD PHE 6 11.787 -5.875 2.498 52 HE1 PHE 6 1HE PHE 6 9.053 -1.810 3.271 53 HE2 PHE 6 2HE PHE 6 11.678 -4.865 4.761 54 HZ PHE 6 HZ PHE 6 10.311 -2.833 5.148 55 H ARG 7 H ARG 7 8.584 -3.875 -1.596 56 HA ARG 7 HA ARG 7 6.475 -2.836 0.187 57 HB2 ARG 7 2HB ARG 7 6.524 -0.944 -1.377 58 HB3 ARG 7 1HB ARG 7 8.157 -1.383 -0.878 59 HG2 ARG 7 2HG ARG 7 7.274 -2.863 -3.241 60 HG3 ARG 7 1HG ARG 7 7.288 -1.118 -3.499 61 HD2 ARG 7 2HD ARG 7 9.570 -0.999 -3.382 62 HD3 ARG 7 1HD ARG 7 9.656 -2.187 -2.066 63 HE ARG 7 HE ARG 7 8.827 -3.724 -4.173 64 HH11 ARG 7 1HH1 ARG 7 11.736 -2.871 -2.969 65 HH12 ARG 7 2HH1 ARG 7 12.628 -2.973 -4.449 66 HH21 ARG 7 1HH2 ARG 7 9.804 -3.235 -6.445 67 HH22 ARG 7 2HH2 ARG 7 11.535 -3.180 -6.417 68 HA PRO 8 HA PRO 8 3.878 -4.123 -3.459 69 HB2 PRO 8 2HB PRO 8 4.525 -6.381 -4.841 70 HB3 PRO 8 1HB PRO 8 5.101 -4.764 -5.294 71 HG2 PRO 8 2HG PRO 8 6.563 -6.996 -4.122 72 HG3 PRO 8 1HG PRO 8 7.160 -5.564 -4.968 73 HD2 PRO 8 2HD PRO 8 7.091 -6.052 -2.146 74 HD3 PRO 8 1HD PRO 8 7.731 -4.644 -3.009 75 H ILE 9 H ILE 9 4.487 -5.428 -0.715 76 HA ILE 9 HA ILE 9 2.557 -7.705 -1.011 77 HB ILE 9 HB ILE 9 5.085 -7.353 0.598 78 HG12 ILE 9 2HG1 ILE 9 5.210 -9.831 -0.323 79 HG13 ILE 9 1HG1 ILE 9 4.004 -9.244 -1.469 80 HG21 ILE 9 1HG2 ILE 9 3.752 -8.180 2.319 81 HG22 ILE 9 2HG2 ILE 9 4.282 -9.681 1.561 82 HG23 ILE 9 3HG2 ILE 9 2.678 -9.037 1.214 83 HD11 ILE 9 3HD1 ILE 9 6.862 -8.422 -1.137 84 HD12 ILE 9 1HD1 ILE 9 5.703 -7.218 -1.698 85 HD13 ILE 9 2HD1 ILE 9 5.943 -8.704 -2.615 86 H VAL 10 H VAL 10 2.992 -4.644 0.242 87 HA VAL 10 HA VAL 10 1.004 -5.145 2.380 88 HB VAL 10 HB VAL 10 3.329 -3.214 2.277 89 HG11 VAL 10 1HG1 VAL 10 0.958 -2.712 3.507 90 HG12 VAL 10 2HG1 VAL 10 2.510 -2.147 4.128 91 HG13 VAL 10 3HG1 VAL 10 1.783 -3.616 4.776 92 HG21 VAL 10 3HG2 VAL 10 3.560 -5.791 2.801 93 HG22 VAL 10 1HG2 VAL 10 2.878 -5.330 4.362 94 HG23 VAL 10 2HG2 VAL 10 4.394 -4.612 3.815 95 H HIS 11 H HIS 11 2.205 -2.885 -0.073 96 HA HIS 11 HA HIS 11 0.490 -0.721 0.191 97 HB2 HIS 11 2HB HIS 11 1.865 -2.154 -1.998 98 HB3 HIS 11 1HB HIS 11 0.551 -1.096 -2.514 99 HD1 HIS 11 1HD HIS 11 0.858 1.149 -0.412 100 HD2 HIS 11 2HD HIS 11 4.055 -0.505 -2.513 101 HE1 HIS 11 1HE HIS 11 2.711 2.876 -0.371 102 H VAL 12 H VAL 12 -0.321 -3.957 -0.710 103 HA VAL 12 HA VAL 12 -2.801 -3.560 -2.051 104 HB VAL 12 HB VAL 12 -2.121 -5.790 -0.118 105 HG11 VAL 12 1HG1 VAL 12 -4.023 -6.635 -0.982 106 HG12 VAL 12 2HG1 VAL 12 -3.193 -6.747 -2.534 107 HG13 VAL 12 3HG1 VAL 12 -4.143 -5.314 -2.144 108 HG21 VAL 12 3HG2 VAL 12 -1.127 -6.782 -2.348 109 HG22 VAL 12 1HG2 VAL 12 -0.141 -5.707 -1.357 110 HG23 VAL 12 2HG2 VAL 12 -0.950 -5.086 -2.796 111 H GLY 13 H GLY 13 -2.462 -4.652 1.340 112 HA2 GLY 13 2HA GLY 13 -4.993 -4.288 2.287 113 HA3 GLY 13 1HA GLY 13 -3.596 -3.903 3.277 114 H LYS 14 H LYS 14 -2.782 -1.757 1.427 115 HA LYS 14 HA LYS 14 -4.254 0.397 2.644 116 HB2 LYS 14 2HB LYS 14 -1.926 -0.013 0.859 117 HB3 LYS 14 1HB LYS 14 -2.714 1.561 0.745 118 HG2 LYS 14 2HG LYS 14 -0.850 1.402 2.473 119 HG3 LYS 14 1HG LYS 14 -2.398 1.988 3.082 120 HD2 LYS 14 2HD LYS 14 -1.496 0.317 4.622 121 HD3 LYS 14 1HD LYS 14 -2.943 -0.321 3.840 122 HE2 LYS 14 2HE LYS 14 -1.130 -1.201 2.065 123 HE3 LYS 14 1HE LYS 14 -0.094 -1.152 3.505 124 HZ1 LYS 14 3HZ LYS 14 -2.776 -2.182 3.910 125 HZ2 LYS 14 1HZ LYS 14 -1.301 -2.723 4.547 126 HZ3 LYS 14 2HZ LYS 14 -1.758 -3.166 2.971 127 H THR 15 H THR 15 -4.222 -1.103 -0.571 128 HA THR 15 HA THR 15 -6.001 0.922 -1.718 129 HB THR 15 HB THR 15 -5.959 -0.894 -3.594 130 HG1 THR 15 1HG THR 15 -5.167 -2.442 -1.936 131 HG21 THR 15 3HG2 THR 15 -3.307 0.276 -2.733 132 HG22 THR 15 1HG2 THR 15 -4.593 1.245 -3.450 133 HG23 THR 15 2HG2 THR 15 -3.853 -0.062 -4.374 134 H ILE 16 H ILE 16 -6.310 -2.214 -0.241 135 HA ILE 16 HA ILE 16 -8.881 -2.954 -1.159 136 HB ILE 16 HB ILE 16 -7.213 -3.476 1.293 137 HG12 ILE 16 2HG1 ILE 16 -7.741 -5.855 0.025 138 HG13 ILE 16 1HG1 ILE 16 -7.731 -4.722 -1.329 139 HG21 ILE 16 1HG2 ILE 16 -10.082 -4.045 0.876 140 HG22 ILE 16 2HG2 ILE 16 -9.152 -3.974 2.374 141 HG23 ILE 16 3HG2 ILE 16 -9.115 -5.431 1.381 142 HD11 ILE 16 3HD1 ILE 16 -5.566 -4.210 0.557 143 HD12 ILE 16 1HD1 ILE 16 -5.496 -4.428 -1.190 144 HD13 ILE 16 2HD1 ILE 16 -5.484 -5.834 -0.124 145 H HIS 17 H HIS 17 -8.306 -1.910 2.199 146 HA HIS 17 HA HIS 17 -10.904 -1.072 2.749 147 HB2 HIS 17 2HB HIS 17 -9.878 -0.079 4.671 148 HB3 HIS 17 1HB HIS 17 -8.892 -1.473 4.256 149 HD1 HIS 17 1HD HIS 17 -8.344 1.767 5.352 150 HD2 HIS 17 2HD HIS 17 -6.868 -0.338 2.072 151 HE1 HIS 17 1HE HIS 17 -6.215 2.946 4.646 152 H ARG 18 H ARG 18 -8.505 0.465 0.831 153 HA ARG 18 HA ARG 18 -9.451 3.167 1.068 154 HB2 ARG 18 2HB ARG 18 -7.207 2.843 0.392 155 HB3 ARG 18 1HB ARG 18 -7.668 1.636 -0.808 156 HG2 ARG 18 2HG ARG 18 -7.139 3.696 -1.973 157 HG3 ARG 18 1HG ARG 18 -8.882 3.439 -2.064 158 HD2 ARG 18 2HD ARG 18 -8.725 4.868 0.256 159 HD3 ARG 18 1HD ARG 18 -7.372 5.565 -0.657 160 HE ARG 18 HE ARG 18 -10.217 5.617 -1.484 161 HH11 ARG 18 1HH1 ARG 18 -8.205 7.945 -1.341 162 HH12 ARG 18 2HH1 ARG 18 -7.931 8.231 -3.028 163 HH21 ARG 18 1HH2 ARG 18 -9.304 5.210 -4.035 164 HH22 ARG 18 2HH2 ARG 18 -8.553 6.683 -4.553 165 H LEU 19 H LEU 19 -10.084 0.506 -1.113 166 HA LEU 19 HA LEU 19 -11.621 1.962 -3.033 167 HB2 LEU 19 2HB LEU 19 -10.810 -0.063 -3.811 168 HB3 LEU 19 1HB LEU 19 -11.067 -0.870 -2.266 169 HG LEU 19 HG LEU 19 -13.492 0.060 -3.725 170 HD11 LEU 19 1HD1 LEU 19 -11.736 -1.149 -5.309 171 HD12 LEU 19 2HD1 LEU 19 -13.448 -1.567 -5.380 172 HD13 LEU 19 3HD1 LEU 19 -12.327 -2.593 -4.486 173 HD21 LEU 19 3HD2 LEU 19 -14.405 -1.268 -2.151 174 HD22 LEU 19 1HD2 LEU 19 -12.790 -1.640 -1.546 175 HD23 LEU 19 2HD2 LEU 19 -13.520 -2.653 -2.794 176 H VAL 20 H VAL 20 -12.623 -0.210 -0.355 177 HA VAL 20 HA VAL 20 -15.382 0.055 -0.562 178 HB VAL 20 HB VAL 20 -14.210 -1.488 0.923 179 HG11 VAL 20 1HG1 VAL 20 -13.085 -0.656 2.946 180 HG12 VAL 20 2HG1 VAL 20 -13.459 1.004 2.483 181 HG13 VAL 20 3HG1 VAL 20 -12.350 0.044 1.504 182 HG21 VAL 20 3HG2 VAL 20 -15.714 -1.392 2.713 183 HG22 VAL 20 1HG2 VAL 20 -16.547 -0.454 1.473 184 HG23 VAL 20 2HG2 VAL 20 -15.681 0.371 2.770 185 H THR 21 H THR 21 -13.096 2.170 1.062 186 HA THR 21 HA THR 21 -15.123 3.989 2.039 187 HB THR 21 HB THR 21 -12.914 3.502 3.123 188 HG1 THR 21 1HG THR 21 -13.361 6.185 2.320 189 HG21 THR 21 3HG2 THR 21 -11.432 3.331 1.279 190 HG22 THR 21 1HG2 THR 21 -10.969 4.827 2.091 191 HG23 THR 21 2HG2 THR 21 -11.944 4.885 0.623 192 H GLY 22 H GLY 22 -13.858 3.447 -0.997 193 HA2 GLY 22 1HA GLY 22 -13.175 5.845 -2.159 194 HA3 GLY 22 2HA GLY 22 -14.185 4.665 -2.991 Start of MODEL 10 1 H1 PHE 1 1HT PHE 1 11.156 5.858 9.112 2 H2 PHE 1 2HT PHE 1 11.525 4.781 10.373 3 H3 PHE 1 3HT PHE 1 10.751 4.217 8.969 4 HA PHE 1 HA PHE 1 12.920 5.226 7.842 5 HB2 PHE 1 2HB PHE 1 13.380 5.742 10.443 6 HB3 PHE 1 1HB PHE 1 14.065 4.119 10.365 7 HD1 PHE 1 2HD PHE 1 14.102 7.393 8.541 8 HD2 PHE 1 1HD PHE 1 16.248 3.819 9.575 9 HE1 PHE 1 2HE PHE 1 16.139 8.301 7.455 10 HE2 PHE 1 1HE PHE 1 18.284 4.727 8.490 11 HZ PHE 1 HZ PHE 1 18.230 6.968 7.429 12 H PHE 2 H PHE 2 11.641 3.314 6.841 13 HA PHE 2 HA PHE 2 13.311 0.975 6.767 14 HB2 PHE 2 2HB PHE 2 11.509 -0.525 7.853 15 HB3 PHE 2 1HB PHE 2 12.480 0.469 8.938 16 HD1 PHE 2 2HD PHE 2 9.252 0.429 7.053 17 HD2 PHE 2 1HD PHE 2 11.454 2.033 10.373 18 HE1 PHE 2 2HE PHE 2 7.193 1.536 7.883 19 HE2 PHE 2 1HE PHE 2 9.396 3.141 11.203 20 HZ PHE 2 HZ PHE 2 7.265 2.892 9.959 21 H HIS 3 H HIS 3 11.841 2.796 4.957 22 HA HIS 3 HA HIS 3 9.545 1.421 3.852 23 HB2 HIS 3 2HB HIS 3 11.457 3.505 2.749 24 HB3 HIS 3 1HB HIS 3 9.918 3.069 2.008 25 HD1 HIS 3 1HD HIS 3 11.097 5.716 3.861 26 HD2 HIS 3 2HD HIS 3 7.890 3.134 4.507 27 HE1 HIS 3 1HE HIS 3 9.520 6.914 5.440 28 H HIS 4 H HIS 4 11.932 2.172 1.466 29 HA HIS 4 HA HIS 4 12.803 0.754 -0.233 30 HB2 HIS 4 2HB HIS 4 13.571 -0.659 2.344 31 HB3 HIS 4 1HB HIS 4 14.390 -0.847 0.793 32 HD1 HIS 4 1HD HIS 4 16.443 0.545 0.670 33 HD2 HIS 4 2HD HIS 4 13.492 2.393 2.963 34 HE1 HIS 4 1HE HIS 4 17.416 2.751 1.448 35 H ILE 5 H ILE 5 13.188 -2.081 -0.128 36 HA ILE 5 HA ILE 5 10.827 -3.117 -1.160 37 HB ILE 5 HB ILE 5 12.936 -4.241 -1.324 38 HG12 ILE 5 2HG1 ILE 5 10.772 -5.616 -1.162 39 HG13 ILE 5 1HG1 ILE 5 12.284 -6.486 -0.927 40 HG21 ILE 5 1HG2 ILE 5 13.438 -5.426 1.146 41 HG22 ILE 5 2HG2 ILE 5 12.978 -3.772 1.550 42 HG23 ILE 5 3HG2 ILE 5 14.320 -4.070 0.444 43 HD11 ILE 5 3HD1 ILE 5 11.820 -5.853 1.634 44 HD12 ILE 5 1HD1 ILE 5 11.102 -7.279 0.892 45 HD13 ILE 5 2HD1 ILE 5 10.157 -5.802 1.058 46 H PHE 6 H PHE 6 8.907 -2.854 -0.132 47 HA PHE 6 HA PHE 6 8.039 -4.442 2.021 48 HB2 PHE 6 2HB PHE 6 9.533 -3.383 3.511 49 HB3 PHE 6 1HB PHE 6 9.300 -1.804 2.764 50 HD1 PHE 6 1HD PHE 6 7.033 -4.434 4.206 51 HD2 PHE 6 2HD PHE 6 8.200 -0.300 4.152 52 HE1 PHE 6 1HE PHE 6 5.264 -3.913 5.865 53 HE2 PHE 6 2HE PHE 6 6.431 0.220 5.811 54 HZ PHE 6 HZ PHE 6 4.962 -1.585 6.667 55 H ARG 7 H ARG 7 7.800 -1.320 0.389 56 HA ARG 7 HA ARG 7 5.022 -0.859 1.143 57 HB2 ARG 7 2HB ARG 7 5.300 1.134 -0.079 58 HB3 ARG 7 1HB ARG 7 6.926 0.788 0.506 59 HG2 ARG 7 2HG ARG 7 6.730 -0.606 -1.920 60 HG3 ARG 7 1HG ARG 7 5.956 0.947 -2.228 61 HD2 ARG 7 2HD ARG 7 8.107 1.667 -2.568 62 HD3 ARG 7 1HD ARG 7 8.175 1.719 -0.796 63 HE ARG 7 HE ARG 7 9.040 -0.643 -0.890 64 HH11 ARG 7 1HH1 ARG 7 10.030 1.759 -3.010 65 HH12 ARG 7 2HH1 ARG 7 10.893 0.706 -4.082 66 HH21 ARG 7 1HH2 ARG 7 9.754 -2.200 -2.569 67 HH22 ARG 7 2HH2 ARG 7 10.734 -1.536 -3.833 68 HA PRO 8 HA PRO 8 4.240 -2.552 -3.146 69 HB2 PRO 8 2HB PRO 8 5.905 -4.455 -4.170 70 HB3 PRO 8 1HB PRO 8 6.129 -2.715 -4.448 71 HG2 PRO 8 2HG PRO 8 7.686 -4.543 -2.803 72 HG3 PRO 8 1HG PRO 8 8.096 -2.939 -3.417 73 HD2 PRO 8 2HD PRO 8 7.216 -3.667 -0.782 74 HD3 PRO 8 1HD PRO 8 7.717 -2.075 -1.380 75 H ILE 9 H ILE 9 5.125 -4.249 -0.390 76 HA ILE 9 HA ILE 9 3.480 -6.634 -1.166 77 HB ILE 9 HB ILE 9 5.537 -6.300 1.041 78 HG12 ILE 9 2HG1 ILE 9 6.203 -8.054 -1.206 79 HG13 ILE 9 1HG1 ILE 9 6.001 -6.375 -1.702 80 HG21 ILE 9 1HG2 ILE 9 5.482 -8.809 0.987 81 HG22 ILE 9 2HG2 ILE 9 4.128 -8.714 -0.137 82 HG23 ILE 9 3HG2 ILE 9 3.957 -8.089 1.503 83 HD11 ILE 9 3HD1 ILE 9 7.578 -6.920 0.777 84 HD12 ILE 9 1HD1 ILE 9 7.771 -5.634 -0.415 85 HD13 ILE 9 2HD1 ILE 9 8.336 -7.265 -0.777 86 H VAL 10 H VAL 10 3.280 -3.764 0.477 87 HA VAL 10 HA VAL 10 1.308 -4.863 2.394 88 HB VAL 10 HB VAL 10 3.210 -2.525 2.655 89 HG11 VAL 10 1HG1 VAL 10 2.045 -3.237 5.137 90 HG12 VAL 10 2HG1 VAL 10 0.718 -3.119 3.980 91 HG13 VAL 10 3HG1 VAL 10 1.798 -1.746 4.227 92 HG21 VAL 10 3HG2 VAL 10 3.644 -5.249 3.016 93 HG22 VAL 10 1HG2 VAL 10 3.291 -4.671 4.645 94 HG23 VAL 10 2HG2 VAL 10 4.611 -3.951 3.721 95 H HIS 11 H HIS 11 2.051 -2.471 -0.032 96 HA HIS 11 HA HIS 11 -0.005 -0.571 0.429 97 HB2 HIS 11 2HB HIS 11 1.572 -1.591 -1.907 98 HB3 HIS 11 1HB HIS 11 0.231 -0.489 -2.218 99 HD1 HIS 11 1HD HIS 11 2.037 1.328 -2.938 100 HD2 HIS 11 2HD HIS 11 2.191 0.186 1.069 101 HE1 HIS 11 1HE HIS 11 3.449 3.065 -1.752 102 H VAL 12 H VAL 12 -0.195 -3.847 -0.486 103 HA VAL 12 HA VAL 12 -2.544 -3.911 -2.102 104 HB VAL 12 HB VAL 12 -1.768 -5.947 0.000 105 HG11 VAL 12 1HG1 VAL 12 -3.685 -6.670 -1.153 106 HG12 VAL 12 2HG1 VAL 12 -2.374 -7.436 -2.051 107 HG13 VAL 12 3HG1 VAL 12 -3.140 -5.978 -2.681 108 HG21 VAL 12 3HG2 VAL 12 -0.337 -5.119 -2.508 109 HG22 VAL 12 1HG2 VAL 12 -0.321 -6.817 -2.028 110 HG23 VAL 12 2HG2 VAL 12 0.333 -5.587 -0.945 111 H GLY 13 H GLY 13 -2.284 -4.573 1.419 112 HA2 GLY 13 2HA GLY 13 -5.054 -4.530 1.920 113 HA3 GLY 13 1HA GLY 13 -3.830 -4.221 3.141 114 H LYS 14 H LYS 14 -2.798 -1.970 1.448 115 HA LYS 14 HA LYS 14 -4.321 0.145 2.658 116 HB2 LYS 14 2HB LYS 14 -2.275 0.281 0.430 117 HB3 LYS 14 1HB LYS 14 -2.677 1.558 1.577 118 HG2 LYS 14 2HG LYS 14 -1.351 -1.091 2.198 119 HG3 LYS 14 1HG LYS 14 -0.623 0.508 2.314 120 HD2 LYS 14 2HD LYS 14 -1.290 0.537 4.468 121 HD3 LYS 14 1HD LYS 14 -2.936 0.707 3.862 122 HE2 LYS 14 2HE LYS 14 -2.531 -1.244 5.490 123 HE3 LYS 14 1HE LYS 14 -3.306 -1.673 3.953 124 HZ1 LYS 14 3HZ LYS 14 -1.066 -2.830 4.851 125 HZ2 LYS 14 1HZ LYS 14 -0.409 -1.582 3.909 126 HZ3 LYS 14 2HZ LYS 14 -1.469 -2.707 3.205 127 H THR 15 H THR 15 -4.549 -1.539 -0.367 128 HA THR 15 HA THR 15 -6.044 0.627 -1.692 129 HB THR 15 HB THR 15 -6.068 -0.995 -3.560 130 HG1 THR 15 1HG THR 15 -6.191 -2.951 -2.718 131 HG21 THR 15 3HG2 THR 15 -3.691 -0.017 -2.188 132 HG22 THR 15 1HG2 THR 15 -4.052 -0.050 -3.914 133 HG23 THR 15 2HG2 THR 15 -3.352 -1.467 -3.134 134 H ILE 16 H ILE 16 -6.682 -2.713 -0.727 135 HA ILE 16 HA ILE 16 -9.374 -2.932 -1.362 136 HB ILE 16 HB ILE 16 -9.424 -4.510 0.630 137 HG12 ILE 16 2HG1 ILE 16 -6.822 -4.743 1.378 138 HG13 ILE 16 1HG1 ILE 16 -6.925 -2.998 1.159 139 HG21 ILE 16 1HG2 ILE 16 -7.085 -5.589 -0.384 140 HG22 ILE 16 2HG2 ILE 16 -7.623 -4.529 -1.687 141 HG23 ILE 16 3HG2 ILE 16 -8.691 -5.797 -1.084 142 HD11 ILE 16 3HD1 ILE 16 -8.330 -4.750 3.126 143 HD12 ILE 16 1HD1 ILE 16 -9.201 -3.341 2.520 144 HD13 ILE 16 2HD1 ILE 16 -7.655 -3.136 3.345 145 H HIS 17 H HIS 17 -8.058 -1.650 1.728 146 HA HIS 17 HA HIS 17 -10.633 -0.888 2.719 147 HB2 HIS 17 2HB HIS 17 -9.410 -0.398 4.609 148 HB3 HIS 17 1HB HIS 17 -8.226 -1.394 3.784 149 HD1 HIS 17 1HD HIS 17 -6.960 0.427 1.797 150 HD2 HIS 17 2HD HIS 17 -8.017 1.766 5.600 151 HE1 HIS 17 1HE HIS 17 -5.543 2.477 2.255 152 H ARG 18 H ARG 18 -8.403 0.530 0.548 153 HA ARG 18 HA ARG 18 -9.232 3.275 0.932 154 HB2 ARG 18 2HB ARG 18 -6.994 2.799 0.191 155 HB3 ARG 18 1HB ARG 18 -7.596 1.789 -1.125 156 HG2 ARG 18 2HG ARG 18 -7.558 3.611 -2.445 157 HG3 ARG 18 1HG ARG 18 -8.859 4.279 -1.460 158 HD2 ARG 18 2HD ARG 18 -6.848 4.927 0.162 159 HD3 ARG 18 1HD ARG 18 -5.921 4.856 -1.350 160 HE ARG 18 HE ARG 18 -8.254 6.263 -1.988 161 HH11 ARG 18 1HH2 ARG 18 -7.531 7.002 1.002 162 HH12 ARG 18 2HH2 ARG 18 -6.749 8.524 0.727 163 HH21 ARG 18 1HH1 ARG 18 -6.425 8.039 -2.692 164 HH22 ARG 18 2HH1 ARG 18 -6.124 9.111 -1.365 165 H LEU 19 H LEU 19 -10.139 0.593 -1.068 166 HA LEU 19 HA LEU 19 -11.687 2.139 -2.964 167 HB2 LEU 19 2HB LEU 19 -10.875 0.174 -3.876 168 HB3 LEU 19 1HB LEU 19 -11.036 -0.709 -2.360 169 HG LEU 19 HG LEU 19 -13.584 0.202 -3.561 170 HD11 LEU 19 1HD1 LEU 19 -12.173 -2.174 -4.780 171 HD12 LEU 19 2HD1 LEU 19 -12.060 -0.569 -5.501 172 HD13 LEU 19 3HD1 LEU 19 -13.629 -1.358 -5.347 173 HD21 LEU 19 3HD2 LEU 19 -14.230 -1.332 -2.043 174 HD22 LEU 19 1HD2 LEU 19 -12.551 -1.791 -1.756 175 HD23 LEU 19 2HD2 LEU 19 -13.476 -2.582 -3.034 176 H VAL 20 H VAL 20 -12.439 0.058 -0.153 177 HA VAL 20 HA VAL 20 -15.241 0.150 -0.324 178 HB VAL 20 HB VAL 20 -15.140 -0.654 1.919 179 HG11 VAL 20 1HG1 VAL 20 -12.519 -1.699 1.467 180 HG12 VAL 20 2HG1 VAL 20 -13.351 -1.573 -0.083 181 HG13 VAL 20 3HG1 VAL 20 -14.071 -2.503 1.233 182 HG21 VAL 20 3HG2 VAL 20 -12.424 0.671 2.041 183 HG22 VAL 20 1HG2 VAL 20 -13.105 -0.337 3.316 184 HG23 VAL 20 2HG2 VAL 20 -13.872 1.195 2.899 185 H THR 21 H THR 21 -12.999 2.305 1.323 186 HA THR 21 HA THR 21 -15.124 4.095 2.186 187 HB THR 21 HB THR 21 -12.458 5.188 2.355 188 HG1 THR 21 1HG THR 21 -11.618 3.183 2.219 189 HG21 THR 21 3HG2 THR 21 -14.129 5.787 3.952 190 HG22 THR 21 1HG2 THR 21 -12.946 4.816 4.829 191 HG23 THR 21 2HG2 THR 21 -14.476 4.099 4.324 192 H GLY 22 H GLY 22 -13.609 3.519 -0.712 193 HA2 GLY 22 1HA GLY 22 -12.771 5.885 -1.835 194 HA3 GLY 22 2HA GLY 22 -13.755 4.732 -2.733 Start of MODEL 11 1 H1 PHE 1 1HT PHE 1 5.791 -12.413 9.195 2 H2 PHE 1 2HT PHE 1 6.157 -10.779 8.911 3 H3 PHE 1 3HT PHE 1 6.415 -11.456 10.448 4 HA PHE 1 HA PHE 1 8.551 -11.548 9.674 5 HB2 PHE 1 2HB PHE 1 7.153 -13.847 9.918 6 HB3 PHE 1 1HB PHE 1 7.673 -14.008 8.240 7 HD1 PHE 1 2HD PHE 1 10.278 -12.947 8.034 8 HD2 PHE 1 1HD PHE 1 8.543 -15.022 11.370 9 HE1 PHE 1 2HE PHE 1 12.542 -13.613 8.797 10 HE2 PHE 1 1HE PHE 1 10.807 -15.689 12.134 11 HZ PHE 1 HZ PHE 1 12.806 -14.984 10.847 12 H PHE 2 H PHE 2 7.538 -9.743 7.899 13 HA PHE 2 HA PHE 2 7.572 -10.588 5.137 14 HB2 PHE 2 2HB PHE 2 7.996 -7.895 6.477 15 HB3 PHE 2 1HB PHE 2 7.648 -8.126 4.762 16 HD1 PHE 2 2HD PHE 2 5.716 -10.482 5.105 17 HD2 PHE 2 1HD PHE 2 6.018 -6.682 7.086 18 HE1 PHE 2 2HE PHE 2 3.291 -10.555 5.615 19 HE2 PHE 2 1HE PHE 2 3.592 -6.757 7.596 20 HZ PHE 2 HZ PHE 2 2.229 -8.692 6.860 21 H HIS 3 H HIS 3 9.796 -8.059 6.174 22 HA HIS 3 HA HIS 3 12.141 -7.862 5.932 23 HB2 HIS 3 2HB HIS 3 11.632 -10.353 6.939 24 HB3 HIS 3 1HB HIS 3 12.482 -10.763 5.449 25 HD1 HIS 3 1HD HIS 3 14.285 -8.105 5.508 26 HD2 HIS 3 2HD HIS 3 13.883 -10.877 8.597 27 HE1 HIS 3 1HE HIS 3 16.351 -7.872 6.954 28 H HIS 4 H HIS 4 11.076 -10.564 3.815 29 HA HIS 4 HA HIS 4 12.781 -9.674 1.624 30 HB2 HIS 4 2HB HIS 4 10.683 -11.782 2.102 31 HB3 HIS 4 1HB HIS 4 11.306 -11.510 0.475 32 HD1 HIS 4 1HD HIS 4 11.907 -14.156 2.005 33 HD2 HIS 4 2HD HIS 4 14.445 -10.850 1.960 34 HE1 HIS 4 1HE HIS 4 14.224 -15.025 2.545 35 H ILE 5 H ILE 5 9.491 -10.519 0.831 36 HA ILE 5 HA ILE 5 9.147 -8.329 -0.926 37 HB ILE 5 HB ILE 5 7.019 -9.281 -1.280 38 HG12 ILE 5 2HG1 ILE 5 6.039 -9.115 0.898 39 HG13 ILE 5 1HG1 ILE 5 5.980 -10.821 0.455 40 HG21 ILE 5 1HG2 ILE 5 8.108 -11.784 -0.183 41 HG22 ILE 5 2HG2 ILE 5 9.221 -10.889 -1.218 42 HG23 ILE 5 3HG2 ILE 5 7.645 -11.385 -1.837 43 HD11 ILE 5 3HD1 ILE 5 6.773 -10.550 2.770 44 HD12 ILE 5 1HD1 ILE 5 8.090 -9.523 2.204 45 HD13 ILE 5 2HD1 ILE 5 8.043 -11.227 1.751 46 H PHE 6 H PHE 6 6.853 -7.062 -0.547 47 HA PHE 6 HA PHE 6 6.032 -6.199 2.008 48 HB2 PHE 6 2HB PHE 6 8.699 -5.460 1.398 49 HB3 PHE 6 1HB PHE 6 7.742 -3.988 1.255 50 HD1 PHE 6 2HD PHE 6 6.085 -3.457 3.175 51 HD2 PHE 6 1HD PHE 6 9.319 -6.263 3.524 52 HE1 PHE 6 2HE PHE 6 5.971 -3.281 5.646 53 HE2 PHE 6 1HE PHE 6 9.206 -6.086 5.995 54 HZ PHE 6 HZ PHE 6 7.532 -4.595 7.056 55 H ARG 7 H ARG 7 7.149 -4.602 -1.000 56 HA ARG 7 HA ARG 7 5.055 -2.680 -1.158 57 HB2 ARG 7 2HB ARG 7 6.892 -2.256 -2.512 58 HB3 ARG 7 1HB ARG 7 7.070 -3.945 -2.974 59 HG2 ARG 7 2HG ARG 7 5.040 -3.761 -4.388 60 HG3 ARG 7 1HG ARG 7 4.903 -2.058 -3.949 61 HD2 ARG 7 2HD ARG 7 6.039 -2.226 -6.113 62 HD3 ARG 7 1HD ARG 7 7.223 -1.707 -4.898 63 HE ARG 7 HE ARG 7 7.501 -4.391 -4.730 64 HH11 ARG 7 1HH2 ARG 7 6.265 -4.845 -7.371 65 HH12 ARG 7 2HH2 ARG 7 7.612 -4.730 -8.455 66 HH21 ARG 7 1HH1 ARG 7 9.663 -3.138 -6.155 67 HH22 ARG 7 2HH1 ARG 7 9.536 -3.763 -7.766 68 HA PRO 8 HA PRO 8 2.697 -5.711 -3.878 69 HB2 PRO 8 2HB PRO 8 3.577 -8.273 -4.210 70 HB3 PRO 8 1HB PRO 8 4.064 -6.926 -5.261 71 HG2 PRO 8 2HG PRO 8 5.541 -8.220 -3.040 72 HG3 PRO 8 1HG PRO 8 6.128 -7.561 -4.570 73 HD2 PRO 8 2HD PRO 8 6.353 -6.271 -2.170 74 HD3 PRO 8 1HD PRO 8 6.330 -5.456 -3.746 75 H ILE 9 H ILE 9 3.685 -6.180 -0.778 76 HA ILE 9 HA ILE 9 1.485 -8.147 -0.234 77 HB ILE 9 HB ILE 9 4.264 -7.818 0.898 78 HG12 ILE 9 2HG1 ILE 9 4.158 -10.355 0.535 79 HG13 ILE 9 1HG1 ILE 9 2.651 -10.062 -0.333 80 HG21 ILE 9 1HG2 ILE 9 2.788 -7.940 2.837 81 HG22 ILE 9 2HG2 ILE 9 3.603 -9.491 2.636 82 HG23 ILE 9 3HG2 ILE 9 1.924 -9.305 2.130 83 HD11 ILE 9 3HD1 ILE 9 4.843 -8.280 -1.146 84 HD12 ILE 9 1HD1 ILE 9 3.723 -9.212 -2.140 85 HD13 ILE 9 2HD1 ILE 9 5.158 -9.985 -1.469 86 H VAL 10 H VAL 10 2.524 -4.985 0.181 87 HA VAL 10 HA VAL 10 0.840 -4.670 2.601 88 HB VAL 10 HB VAL 10 3.360 -3.216 1.769 89 HG11 VAL 10 1HG1 VAL 10 2.923 -1.633 3.330 90 HG12 VAL 10 2HG1 VAL 10 2.339 -2.824 4.492 91 HG13 VAL 10 3HG1 VAL 10 1.253 -2.199 3.250 92 HG21 VAL 10 3HG2 VAL 10 3.278 -5.653 2.850 93 HG22 VAL 10 1HG2 VAL 10 3.031 -4.729 4.331 94 HG23 VAL 10 2HG2 VAL 10 4.482 -4.471 3.361 95 H HIS 11 H HIS 11 1.913 -3.249 -0.461 96 HA HIS 11 HA HIS 11 0.426 -0.826 -0.354 97 HB2 HIS 11 2HB HIS 11 2.232 -1.859 -2.000 98 HB3 HIS 11 1HB HIS 11 0.801 -2.356 -2.902 99 HD1 HIS 11 1HD HIS 11 0.125 -0.668 -4.594 100 HD2 HIS 11 2HD HIS 11 1.865 1.133 -1.261 101 HE1 HIS 11 1HE HIS 11 0.123 1.825 -5.043 102 H VAL 12 H VAL 12 -0.680 -4.033 -0.542 103 HA VAL 12 HA VAL 12 -3.152 -3.458 -2.028 104 HB VAL 12 HB VAL 12 -2.535 -5.882 -0.333 105 HG11 VAL 12 1HG1 VAL 12 -4.761 -5.592 -1.489 106 HG12 VAL 12 2HG1 VAL 12 -3.871 -7.032 -1.985 107 HG13 VAL 12 3HG1 VAL 12 -3.896 -5.609 -3.027 108 HG21 VAL 12 3HG2 VAL 12 -1.442 -6.780 -2.463 109 HG22 VAL 12 1HG2 VAL 12 -0.504 -5.585 -1.567 110 HG23 VAL 12 2HG2 VAL 12 -1.379 -5.109 -3.023 111 H GLY 13 H GLY 13 -2.398 -4.501 1.320 112 HA2 GLY 13 2HA GLY 13 -4.929 -4.305 2.425 113 HA3 GLY 13 1HA GLY 13 -3.469 -3.958 3.338 114 H LYS 14 H LYS 14 -2.760 -1.727 1.571 115 HA LYS 14 HA LYS 14 -4.243 0.354 2.929 116 HB2 LYS 14 2HB LYS 14 -1.920 0.093 1.081 117 HB3 LYS 14 1HB LYS 14 -2.688 1.676 1.203 118 HG2 LYS 14 2HG LYS 14 -1.135 1.817 2.927 119 HG3 LYS 14 1HG LYS 14 -2.540 1.200 3.799 120 HD2 LYS 14 2HD LYS 14 -0.703 -0.783 2.531 121 HD3 LYS 14 1HD LYS 14 -0.162 0.015 4.007 122 HE2 LYS 14 2HE LYS 14 -1.716 -1.062 5.308 123 HE3 LYS 14 1HE LYS 14 -2.954 -1.016 4.038 124 HZ1 LYS 14 3HZ LYS 14 -1.752 -2.695 2.814 125 HZ2 LYS 14 1HZ LYS 14 -2.074 -3.270 4.377 126 HZ3 LYS 14 2HZ LYS 14 -0.517 -2.719 3.980 127 H THR 15 H THR 15 -4.255 -1.081 -0.284 128 HA THR 15 HA THR 15 -5.934 1.022 -1.437 129 HB THR 15 HB THR 15 -5.970 -1.261 -3.053 130 HG1 THR 15 1HG THR 15 -3.871 -2.001 -2.955 131 HG21 THR 15 3HG2 THR 15 -3.684 0.587 -3.374 132 HG22 THR 15 1HG2 THR 15 -5.270 1.355 -3.283 133 HG23 THR 15 2HG2 THR 15 -4.947 0.145 -4.524 134 H ILE 16 H ILE 16 -6.367 -2.385 -0.611 135 HA ILE 16 HA ILE 16 -9.009 -2.817 -1.275 136 HB ILE 16 HB ILE 16 -8.964 -4.204 0.970 137 HG12 ILE 16 2HG1 ILE 16 -6.064 -4.211 0.903 138 HG13 ILE 16 1HG1 ILE 16 -6.663 -2.604 1.312 139 HG21 ILE 16 1HG2 ILE 16 -6.995 -5.588 -0.269 140 HG22 ILE 16 2HG2 ILE 16 -7.463 -4.498 -1.573 141 HG23 ILE 16 3HG2 ILE 16 -8.662 -5.565 -0.841 142 HD11 ILE 16 3HD1 ILE 16 -6.850 -3.428 3.418 143 HD12 ILE 16 1HD1 ILE 16 -6.791 -5.101 2.864 144 HD13 ILE 16 2HD1 ILE 16 -8.311 -4.209 2.812 145 H HIS 17 H HIS 17 -8.197 -1.916 2.106 146 HA HIS 17 HA HIS 17 -10.738 -1.126 2.886 147 HB2 HIS 17 2HB HIS 17 -9.616 -0.350 4.769 148 HB3 HIS 17 1HB HIS 17 -8.388 -1.393 4.068 149 HD1 HIS 17 1HD HIS 17 -9.159 2.159 4.824 150 HD2 HIS 17 2HD HIS 17 -6.270 0.041 2.693 151 HE1 HIS 17 1HE HIS 17 -7.277 3.789 4.357 152 H ARG 18 H ARG 18 -8.360 0.652 1.060 153 HA ARG 18 HA ARG 18 -9.618 3.218 1.215 154 HB2 ARG 18 2HB ARG 18 -7.341 3.219 0.663 155 HB3 ARG 18 1HB ARG 18 -7.529 1.879 -0.467 156 HG2 ARG 18 2HG ARG 18 -7.155 4.106 -1.582 157 HG3 ARG 18 1HG ARG 18 -8.647 3.302 -2.072 158 HD2 ARG 18 2HD ARG 18 -9.966 4.912 -1.121 159 HD3 ARG 18 1HD ARG 18 -8.903 5.077 0.291 160 HE ARG 18 HE ARG 18 -7.579 6.655 -0.925 161 HH11 ARG 18 1HH1 ARG 18 -10.465 7.113 -2.068 162 HH12 ARG 18 2HH1 ARG 18 -10.080 7.326 -3.743 163 HH21 ARG 18 1HH2 ARG 18 -6.861 6.073 -3.436 164 HH22 ARG 18 2HH2 ARG 18 -8.040 6.737 -4.518 165 H LEU 19 H LEU 19 -9.767 0.568 -1.070 166 HA LEU 19 HA LEU 19 -11.289 1.801 -3.107 167 HB2 LEU 19 2HB LEU 19 -10.033 -0.540 -2.763 168 HB3 LEU 19 1HB LEU 19 -11.684 -1.076 -2.445 169 HG LEU 19 HG LEU 19 -12.250 0.276 -4.615 170 HD11 LEU 19 1HD1 LEU 19 -9.363 0.429 -4.489 171 HD12 LEU 19 2HD1 LEU 19 -10.465 1.213 -5.620 172 HD13 LEU 19 3HD1 LEU 19 -9.867 -0.412 -5.954 173 HD21 LEU 19 3HD2 LEU 19 -12.670 -1.908 -5.066 174 HD22 LEU 19 1HD2 LEU 19 -11.263 -2.449 -4.149 175 HD23 LEU 19 2HD2 LEU 19 -11.077 -1.926 -5.824 176 H VAL 20 H VAL 20 -12.389 -0.172 -0.327 177 HA VAL 20 HA VAL 20 -15.144 -0.099 -0.883 178 HB VAL 20 HB VAL 20 -15.358 -0.889 1.343 179 HG11 VAL 20 1HG1 VAL 20 -13.295 -1.795 -0.328 180 HG12 VAL 20 2HG1 VAL 20 -14.095 -2.701 0.959 181 HG13 VAL 20 3HG1 VAL 20 -12.625 -1.789 1.303 182 HG21 VAL 20 3HG2 VAL 20 -13.062 -0.482 2.758 183 HG22 VAL 20 1HG2 VAL 20 -14.485 0.552 2.882 184 HG23 VAL 20 2HG2 VAL 20 -13.151 1.012 1.828 185 H THR 21 H THR 21 -13.030 2.262 0.475 186 HA THR 21 HA THR 21 -15.237 4.015 1.287 187 HB THR 21 HB THR 21 -12.606 5.193 1.421 188 HG1 THR 21 1HG THR 21 -11.724 3.193 1.432 189 HG21 THR 21 3HG2 THR 21 -14.717 4.267 3.354 190 HG22 THR 21 1HG2 THR 21 -14.199 5.912 2.985 191 HG23 THR 21 2HG2 THR 21 -13.161 4.854 3.943 192 H GLY 22 H GLY 22 -13.693 3.228 -1.529 193 HA2 GLY 22 1HA GLY 22 -12.859 5.499 -2.840 194 HA3 GLY 22 2HA GLY 22 -13.828 4.267 -3.646 Start of MODEL 12 1 H1 PHE 1 1HT PHE 1 17.627 -12.613 5.565 2 H2 PHE 1 2HT PHE 1 18.335 -14.137 5.819 3 H3 PHE 1 3HT PHE 1 16.691 -13.892 6.170 4 HA PHE 1 HA PHE 1 17.899 -13.765 3.452 5 HB2 PHE 1 2HB PHE 1 17.828 -15.987 4.678 6 HB3 PHE 1 1HB PHE 1 16.072 -15.819 4.731 7 HD1 PHE 1 1HD PHE 1 14.743 -15.803 2.636 8 HD2 PHE 1 2HD PHE 1 18.979 -16.516 2.623 9 HE1 PHE 1 1HE PHE 1 14.586 -16.696 0.327 10 HE2 PHE 1 2HE PHE 1 18.823 -17.408 0.314 11 HZ PHE 1 HZ PHE 1 16.626 -17.498 -0.834 12 H PHE 2 H PHE 2 16.726 -11.865 2.854 13 HA PHE 2 HA PHE 2 13.941 -11.433 3.472 14 HB2 PHE 2 2HB PHE 2 15.597 -10.363 1.167 15 HB3 PHE 2 1HB PHE 2 14.198 -9.591 1.917 16 HD1 PHE 2 2HD PHE 2 14.839 -10.247 4.804 17 HD2 PHE 2 1HD PHE 2 17.282 -8.723 1.617 18 HE1 PHE 2 2HE PHE 2 16.327 -9.160 6.464 19 HE2 PHE 2 1HE PHE 2 18.770 -7.636 3.276 20 HZ PHE 2 HZ PHE 2 18.292 -7.854 5.700 21 H HIS 3 H HIS 3 12.108 -11.773 2.117 22 HA HIS 3 HA HIS 3 12.385 -14.013 0.205 23 HB2 HIS 3 2HB HIS 3 10.637 -13.737 2.063 24 HB3 HIS 3 1HB HIS 3 9.897 -12.505 1.041 25 HD1 HIS 3 1HD HIS 3 11.504 -15.530 -0.480 26 HD2 HIS 3 2HD HIS 3 7.667 -14.172 0.415 27 HE1 HIS 3 1HE HIS 3 9.898 -17.094 -1.661 28 H HIS 4 H HIS 4 13.553 -11.537 -0.693 29 HA HIS 4 HA HIS 4 13.544 -10.127 -2.587 30 HB2 HIS 4 2HB HIS 4 11.690 -12.403 -3.320 31 HB3 HIS 4 1HB HIS 4 12.136 -11.153 -4.480 32 HD1 HIS 4 1HD HIS 4 13.186 -14.386 -3.422 33 HD2 HIS 4 2HD HIS 4 15.214 -10.898 -4.473 34 HE1 HIS 4 1HE HIS 4 15.555 -15.078 -3.991 35 H ILE 5 H ILE 5 10.287 -10.881 -3.492 36 HA ILE 5 HA ILE 5 9.311 -8.287 -3.514 37 HB ILE 5 HB ILE 5 7.150 -9.403 -3.633 38 HG12 ILE 5 2HG1 ILE 5 7.332 -12.012 -3.207 39 HG13 ILE 5 1HG1 ILE 5 8.644 -11.520 -2.135 40 HG21 ILE 5 1HG2 ILE 5 7.765 -10.166 -5.654 41 HG22 ILE 5 2HG2 ILE 5 8.473 -11.596 -4.904 42 HG23 ILE 5 3HG2 ILE 5 9.450 -10.146 -5.134 43 HD11 ILE 5 3HD1 ILE 5 5.752 -11.219 -1.791 44 HD12 ILE 5 1HD1 ILE 5 6.630 -9.712 -1.533 45 HD13 ILE 5 2HD1 ILE 5 7.039 -11.143 -0.587 46 H PHE 6 H PHE 6 8.530 -6.891 -1.943 47 HA PHE 6 HA PHE 6 7.832 -7.963 0.742 48 HB2 PHE 6 2HB PHE 6 10.340 -6.910 0.093 49 HB3 PHE 6 1HB PHE 6 9.507 -5.583 0.903 50 HD1 PHE 6 1HD PHE 6 7.709 -7.119 2.725 51 HD2 PHE 6 2HD PHE 6 11.856 -7.675 1.754 52 HE1 PHE 6 1HE PHE 6 8.073 -8.223 4.914 53 HE2 PHE 6 2HE PHE 6 12.220 -8.780 3.944 54 HZ PHE 6 HZ PHE 6 10.329 -9.055 5.524 55 H ARG 7 H ARG 7 8.297 -4.889 -1.065 56 HA ARG 7 HA ARG 7 6.164 -3.558 0.399 57 HB2 ARG 7 2HB ARG 7 6.760 -1.692 -0.975 58 HB3 ARG 7 1HB ARG 7 8.256 -2.558 -0.637 59 HG2 ARG 7 2HG ARG 7 7.141 -3.742 -2.960 60 HG3 ARG 7 1HG ARG 7 7.052 -1.996 -3.186 61 HD2 ARG 7 2HD ARG 7 9.287 -1.882 -3.534 62 HD3 ARG 7 1HD ARG 7 9.607 -2.742 -2.013 63 HE ARG 7 HE ARG 7 8.602 -4.647 -3.849 64 HH11 ARG 7 1HH2 ARG 7 11.373 -4.242 -2.335 65 HH12 ARG 7 2HH2 ARG 7 12.444 -4.526 -3.667 66 HH21 ARG 7 1HH1 ARG 7 9.951 -4.288 -6.065 67 HH22 ARG 7 2HH1 ARG 7 11.639 -4.550 -5.778 68 HA PRO 8 HA PRO 8 3.811 -4.380 -3.602 69 HB2 PRO 8 2HB PRO 8 4.193 -6.778 -4.844 70 HB3 PRO 8 1HB PRO 8 5.080 -5.303 -5.282 71 HG2 PRO 8 2HG PRO 8 6.022 -7.695 -3.916 72 HG3 PRO 8 1HG PRO 8 6.934 -6.407 -4.709 73 HD2 PRO 8 2HD PRO 8 6.455 -6.788 -1.902 74 HD3 PRO 8 1HD PRO 8 7.452 -5.557 -2.697 75 H ILE 9 H ILE 9 4.337 -6.134 -0.882 76 HA ILE 9 HA ILE 9 1.846 -7.771 -1.190 77 HB ILE 9 HB ILE 9 4.198 -8.031 0.710 78 HG12 ILE 9 2HG1 ILE 9 4.940 -8.553 -1.517 79 HG13 ILE 9 1HG1 ILE 9 4.639 -10.094 -0.712 80 HG21 ILE 9 1HG2 ILE 9 3.075 -10.413 0.843 81 HG22 ILE 9 2HG2 ILE 9 1.633 -9.542 0.322 82 HG23 ILE 9 3HG2 ILE 9 2.444 -9.089 1.821 83 HD11 ILE 9 3HD1 ILE 9 3.654 -10.158 -2.941 84 HD12 ILE 9 1HD1 ILE 9 2.767 -8.667 -2.624 85 HD13 ILE 9 2HD1 ILE 9 2.362 -10.137 -1.740 86 H VAL 10 H VAL 10 2.742 -4.853 -0.053 87 HA VAL 10 HA VAL 10 0.930 -5.022 2.286 88 HB VAL 10 HB VAL 10 3.411 -3.349 1.840 89 HG11 VAL 10 1HG1 VAL 10 1.187 -2.722 3.383 90 HG12 VAL 10 2HG1 VAL 10 2.809 -2.065 3.601 91 HG13 VAL 10 3HG1 VAL 10 2.292 -3.466 4.540 92 HG21 VAL 10 3HG2 VAL 10 3.235 -5.983 2.577 93 HG22 VAL 10 1HG2 VAL 10 3.179 -5.182 4.148 94 HG23 VAL 10 2HG2 VAL 10 4.543 -4.903 3.066 95 H HIS 11 H HIS 11 1.768 -3.390 -0.663 96 HA HIS 11 HA HIS 11 0.361 -0.918 -0.216 97 HB2 HIS 11 2HB HIS 11 1.826 -2.289 -2.266 98 HB3 HIS 11 1HB HIS 11 0.325 -1.677 -2.964 99 HD1 HIS 11 1HD HIS 11 -0.175 0.968 -2.091 100 HD2 HIS 11 2HD HIS 11 3.776 -0.346 -2.263 101 HE1 HIS 11 1HE HIS 11 1.269 3.047 -2.139 102 H VAL 12 H VAL 12 -0.803 -4.057 -0.421 103 HA VAL 12 HA VAL 12 -3.281 -3.506 -1.889 104 HB VAL 12 HB VAL 12 -2.847 -5.854 -0.063 105 HG11 VAL 12 1HG1 VAL 12 -4.368 -6.858 -1.419 106 HG12 VAL 12 2HG1 VAL 12 -3.649 -6.186 -2.883 107 HG13 VAL 12 3HG1 VAL 12 -4.755 -5.210 -1.916 108 HG21 VAL 12 3HG2 VAL 12 -0.690 -5.834 -1.006 109 HG22 VAL 12 1HG2 VAL 12 -1.266 -5.186 -2.543 110 HG23 VAL 12 2HG2 VAL 12 -1.593 -6.866 -2.117 111 H GLY 13 H GLY 13 -2.636 -4.556 1.480 112 HA2 GLY 13 2HA GLY 13 -5.118 -4.164 2.592 113 HA3 GLY 13 1HA GLY 13 -3.643 -3.830 3.485 114 H LYS 14 H LYS 14 -2.782 -1.714 1.759 115 HA LYS 14 HA LYS 14 -4.176 0.493 2.967 116 HB2 LYS 14 2HB LYS 14 -2.234 0.574 0.655 117 HB3 LYS 14 1HB LYS 14 -2.488 1.804 1.890 118 HG2 LYS 14 2HG LYS 14 -1.222 -0.923 2.246 119 HG3 LYS 14 1HG LYS 14 -0.458 0.648 2.455 120 HD2 LYS 14 2HD LYS 14 -1.050 0.620 4.622 121 HD3 LYS 14 1HD LYS 14 -2.743 0.647 4.131 122 HE2 LYS 14 2HE LYS 14 -1.982 -1.325 5.635 123 HE3 LYS 14 1HE LYS 14 -2.894 -1.744 4.174 124 HZ1 LYS 14 3HZ LYS 14 -1.084 -2.592 3.171 125 HZ2 LYS 14 1HZ LYS 14 -0.474 -2.739 4.748 126 HZ3 LYS 14 2HZ LYS 14 -0.045 -1.399 3.795 127 H THR 15 H THR 15 -4.104 -0.896 -0.305 128 HA THR 15 HA THR 15 -5.824 1.171 -1.428 129 HB THR 15 HB THR 15 -5.832 -0.675 -3.302 130 HG1 THR 15 1HG THR 15 -3.925 -2.002 -2.970 131 HG21 THR 15 3HG2 THR 15 -4.458 1.483 -3.140 132 HG22 THR 15 1HG2 THR 15 -3.776 0.190 -4.126 133 HG23 THR 15 2HG2 THR 15 -3.158 0.478 -2.499 134 H ILE 16 H ILE 16 -6.250 -2.254 -0.676 135 HA ILE 16 HA ILE 16 -8.887 -2.649 -1.420 136 HB ILE 16 HB ILE 16 -8.877 -4.241 0.630 137 HG12 ILE 16 2HG1 ILE 16 -6.078 -4.296 0.969 138 HG13 ILE 16 1HG1 ILE 16 -6.540 -2.606 1.162 139 HG21 ILE 16 1HG2 ILE 16 -6.949 -5.575 -0.483 140 HG22 ILE 16 2HG2 ILE 16 -6.885 -4.238 -1.632 141 HG23 ILE 16 3HG2 ILE 16 -8.362 -5.186 -1.463 142 HD11 ILE 16 3HD1 ILE 16 -8.518 -3.807 2.582 143 HD12 ILE 16 1HD1 ILE 16 -7.005 -3.254 3.300 144 HD13 ILE 16 2HD1 ILE 16 -7.201 -4.948 2.851 145 H HIS 17 H HIS 17 -7.983 -1.738 1.953 146 HA HIS 17 HA HIS 17 -10.600 -1.146 2.782 147 HB2 HIS 17 2HB HIS 17 -9.517 -0.585 4.735 148 HB3 HIS 17 1HB HIS 17 -8.179 -1.383 3.925 149 HD1 HIS 17 1HD HIS 17 -7.044 0.627 2.086 150 HD2 HIS 17 2HD HIS 17 -8.520 1.742 5.820 151 HE1 HIS 17 1HE HIS 17 -5.946 2.836 2.659 152 H ARG 18 H ARG 18 -8.423 0.661 0.820 153 HA ARG 18 HA ARG 18 -9.742 3.218 1.220 154 HB2 ARG 18 2HB ARG 18 -7.433 3.348 0.774 155 HB3 ARG 18 1HB ARG 18 -7.529 2.120 -0.488 156 HG2 ARG 18 2HG ARG 18 -7.233 4.379 -1.457 157 HG3 ARG 18 1HG ARG 18 -8.784 3.677 -1.925 158 HD2 ARG 18 2HD ARG 18 -9.935 5.334 -0.886 159 HD3 ARG 18 1HD ARG 18 -8.969 5.163 0.593 160 HE ARG 18 HE ARG 18 -7.196 6.330 -1.160 161 HH11 ARG 18 1HH1 ARG 18 -10.105 7.228 -2.116 162 HH12 ARG 18 2HH1 ARG 18 -10.102 8.838 -1.480 163 HH21 ARG 18 1HH2 ARG 18 -7.311 8.328 0.513 164 HH22 ARG 18 2HH2 ARG 18 -8.519 9.463 0.008 165 H LEU 19 H LEU 19 -9.995 0.520 -0.919 166 HA LEU 19 HA LEU 19 -11.413 1.890 -3.029 167 HB2 LEU 19 2HB LEU 19 -10.270 -0.004 -3.744 168 HB3 LEU 19 1HB LEU 19 -10.642 -0.899 -2.271 169 HG LEU 19 HG LEU 19 -12.939 -0.136 -4.007 170 HD11 LEU 19 1HD1 LEU 19 -11.995 -1.072 -5.844 171 HD12 LEU 19 2HD1 LEU 19 -12.196 -2.610 -5.004 172 HD13 LEU 19 3HD1 LEU 19 -10.659 -1.748 -4.913 173 HD21 LEU 19 3HD2 LEU 19 -12.340 -1.881 -1.820 174 HD22 LEU 19 1HD2 LEU 19 -12.856 -2.872 -3.185 175 HD23 LEU 19 2HD2 LEU 19 -13.905 -1.588 -2.582 176 H VAL 20 H VAL 20 -12.349 -0.288 -0.355 177 HA VAL 20 HA VAL 20 -15.118 -0.360 -0.899 178 HB VAL 20 HB VAL 20 -15.236 -1.323 1.279 179 HG11 VAL 20 1HG1 VAL 20 -12.379 -1.895 0.608 180 HG12 VAL 20 2HG1 VAL 20 -13.636 -2.330 -0.549 181 HG13 VAL 20 3HG1 VAL 20 -13.659 -3.016 1.076 182 HG21 VAL 20 3HG2 VAL 20 -13.411 -1.003 2.939 183 HG22 VAL 20 1HG2 VAL 20 -14.200 0.519 2.523 184 HG23 VAL 20 2HG2 VAL 20 -12.630 0.122 1.827 185 H THR 21 H THR 21 -13.195 1.768 1.129 186 HA THR 21 HA THR 21 -15.432 3.369 1.999 187 HB THR 21 HB THR 21 -13.228 2.997 3.194 188 HG1 THR 21 1HG THR 21 -13.546 5.740 2.709 189 HG21 THR 21 3HG2 THR 21 -11.303 4.311 2.465 190 HG22 THR 21 1HG2 THR 21 -12.229 4.957 1.111 191 HG23 THR 21 2HG2 THR 21 -11.818 3.242 1.159 192 H GLY 22 H GLY 22 -13.918 3.035 -0.944 193 HA2 GLY 22 1HA GLY 22 -13.335 5.513 -1.988 194 HA3 GLY 22 2HA GLY 22 -14.198 4.292 -2.920 Start of MODEL 13 1 H1 PHE 1 1HT PHE 1 18.822 1.380 -4.260 2 H2 PHE 1 2HT PHE 1 18.716 2.167 -2.758 3 H3 PHE 1 3HT PHE 1 18.819 3.075 -4.191 4 HA PHE 1 HA PHE 1 16.573 3.218 -3.822 5 HB2 PHE 1 2HB PHE 1 17.301 0.750 -5.399 6 HB3 PHE 1 1HB PHE 1 15.622 1.272 -5.264 7 HD1 PHE 1 1HD PHE 1 15.819 4.187 -5.274 8 HD2 PHE 1 2HD PHE 1 17.999 1.289 -7.576 9 HE1 PHE 1 1HE PHE 1 16.202 5.881 -7.043 10 HE2 PHE 1 2HE PHE 1 18.383 2.984 -9.346 11 HZ PHE 1 HZ PHE 1 17.485 5.280 -9.080 12 H PHE 2 H PHE 2 15.441 2.930 -1.938 13 HA PHE 2 HA PHE 2 15.335 0.174 -0.756 14 HB2 PHE 2 2HB PHE 2 14.834 1.542 1.355 15 HB3 PHE 2 1HB PHE 2 16.463 1.705 0.698 16 HD1 PHE 2 2HD PHE 2 13.104 3.304 0.821 17 HD2 PHE 2 1HD PHE 2 17.266 3.791 -0.126 18 HE1 PHE 2 2HE PHE 2 12.760 5.746 0.565 19 HE2 PHE 2 1HE PHE 2 16.921 6.234 -0.382 20 HZ PHE 2 HZ PHE 2 14.669 7.211 -0.036 21 H HIS 3 H HIS 3 13.471 3.013 -1.723 22 HA HIS 3 HA HIS 3 10.932 1.920 -0.715 23 HB2 HIS 3 2HB HIS 3 11.890 4.402 -1.121 24 HB3 HIS 3 1HB HIS 3 11.084 4.167 -2.671 25 HD1 HIS 3 1HD HIS 3 10.302 3.882 1.049 26 HD2 HIS 3 2HD HIS 3 8.344 4.559 -2.568 27 HE1 HIS 3 1HE HIS 3 7.894 4.412 1.627 28 H HIS 4 H HIS 4 9.607 3.041 -3.228 29 HA HIS 4 HA HIS 4 8.713 2.134 -5.215 30 HB2 HIS 4 2HB HIS 4 11.586 1.157 -5.311 31 HB3 HIS 4 1HB HIS 4 10.485 1.156 -6.689 32 HD1 HIS 4 1HD HIS 4 13.034 2.877 -6.808 33 HD2 HIS 4 2HD HIS 4 9.360 4.306 -5.454 34 HE1 HIS 4 1HE HIS 4 13.104 5.394 -7.072 35 H ILE 5 H ILE 5 10.881 -0.586 -5.175 36 HA ILE 5 HA ILE 5 8.880 -2.542 -5.282 37 HB ILE 5 HB ILE 5 11.072 -3.102 -5.923 38 HG12 ILE 5 2HG1 ILE 5 11.644 -5.033 -4.558 39 HG13 ILE 5 1HG1 ILE 5 10.739 -4.375 -3.193 40 HG21 ILE 5 1HG2 ILE 5 11.764 -1.554 -3.548 41 HG22 ILE 5 2HG2 ILE 5 12.726 -1.873 -4.991 42 HG23 ILE 5 3HG2 ILE 5 12.709 -3.040 -3.668 43 HD11 ILE 5 3HD1 ILE 5 8.689 -4.865 -4.137 44 HD12 ILE 5 1HD1 ILE 5 9.648 -6.163 -4.847 45 HD13 ILE 5 2HD1 ILE 5 9.294 -4.713 -5.787 46 H PHE 6 H PHE 6 7.286 -2.456 -3.730 47 HA PHE 6 HA PHE 6 7.518 -3.733 -1.252 48 HB2 PHE 6 2HB PHE 6 8.623 -1.033 -1.314 49 HB3 PHE 6 1HB PHE 6 7.357 -1.185 -0.096 50 HD1 PHE 6 1HD PHE 6 7.621 -4.034 0.671 51 HD2 PHE 6 2HD PHE 6 10.633 -1.065 -0.072 52 HE1 PHE 6 1HE PHE 6 9.191 -5.257 2.152 53 HE2 PHE 6 2HE PHE 6 12.205 -2.286 1.410 54 HZ PHE 6 HZ PHE 6 11.483 -4.383 2.521 55 H ARG 7 H ARG 7 6.019 -1.070 -3.020 56 HA ARG 7 HA ARG 7 3.578 -1.015 -1.463 57 HB2 ARG 7 2HB ARG 7 2.938 0.627 -3.025 58 HB3 ARG 7 1HB ARG 7 4.696 0.748 -3.007 59 HG2 ARG 7 2HG ARG 7 4.147 -1.218 -4.927 60 HG3 ARG 7 1HG ARG 7 2.930 0.027 -5.201 61 HD2 ARG 7 2HD ARG 7 4.480 1.384 -6.137 62 HD3 ARG 7 1HD ARG 7 5.510 1.253 -4.696 63 HE ARG 7 HE ARG 7 6.293 -0.964 -5.662 64 HH11 ARG 7 1HH1 ARG 7 4.096 0.098 -7.865 65 HH12 ARG 7 2HH1 ARG 7 5.170 0.160 -9.222 66 HH21 ARG 7 1HH2 ARG 7 8.030 -0.298 -7.314 67 HH22 ARG 7 2HH2 ARG 7 7.399 -0.064 -8.910 68 HA PRO 8 HA PRO 8 1.988 -3.828 -4.852 69 HB2 PRO 8 2HB PRO 8 3.695 -5.600 -6.029 70 HB3 PRO 8 1HB PRO 8 3.378 -3.977 -6.677 71 HG2 PRO 8 2HG PRO 8 5.767 -5.020 -5.378 72 HG3 PRO 8 1HG PRO 8 5.555 -3.578 -6.375 73 HD2 PRO 8 2HD PRO 8 5.719 -3.755 -3.514 74 HD3 PRO 8 1HD PRO 8 5.596 -2.305 -4.527 75 H ILE 9 H ILE 9 3.742 -4.447 -2.162 76 HA ILE 9 HA ILE 9 2.730 -7.258 -1.954 77 HB ILE 9 HB ILE 9 5.202 -6.007 -0.725 78 HG12 ILE 9 2HG1 ILE 9 5.644 -8.187 -2.588 79 HG13 ILE 9 1HG1 ILE 9 4.756 -6.876 -3.367 80 HG21 ILE 9 1HG2 ILE 9 5.764 -8.307 -0.090 81 HG22 ILE 9 2HG2 ILE 9 4.279 -8.895 -0.839 82 HG23 ILE 9 3HG2 ILE 9 4.197 -7.863 0.589 83 HD11 ILE 9 3HD1 ILE 9 7.546 -6.965 -2.501 84 HD12 ILE 9 1HD1 ILE 9 6.695 -5.553 -1.873 85 HD13 ILE 9 2HD1 ILE 9 6.753 -5.847 -3.612 86 H VAL 10 H VAL 10 2.853 -4.114 -0.567 87 HA VAL 10 HA VAL 10 1.383 -5.107 1.804 88 HB VAL 10 HB VAL 10 3.452 -2.924 1.521 89 HG11 VAL 10 1HG1 VAL 10 2.700 -1.935 3.410 90 HG12 VAL 10 2HG1 VAL 10 2.509 -3.486 4.226 91 HG13 VAL 10 3HG1 VAL 10 1.218 -2.866 3.197 92 HG21 VAL 10 3HG2 VAL 10 4.865 -4.333 2.673 93 HG22 VAL 10 1HG2 VAL 10 3.848 -5.559 1.914 94 HG23 VAL 10 2HG2 VAL 10 3.549 -5.077 3.583 95 H HIS 11 H HIS 11 1.848 -2.377 -0.435 96 HA HIS 11 HA HIS 11 -0.111 -0.605 0.431 97 HB2 HIS 11 2HB HIS 11 1.530 -0.744 -1.664 98 HB3 HIS 11 1HB HIS 11 0.055 -1.267 -2.480 99 HD1 HIS 11 1HD HIS 11 -1.282 0.611 -3.408 100 HD2 HIS 11 2HD HIS 11 0.915 1.812 -0.075 101 HE1 HIS 11 1HE HIS 11 -1.756 3.079 -3.089 102 H VAL 12 H VAL 12 -0.548 -3.754 -0.922 103 HA VAL 12 HA VAL 12 -3.149 -3.704 -1.961 104 HB VAL 12 HB VAL 12 -1.968 -5.812 -0.128 105 HG11 VAL 12 1HG1 VAL 12 -3.183 -7.180 -2.078 106 HG12 VAL 12 2HG1 VAL 12 -4.151 -5.707 -2.165 107 HG13 VAL 12 3HG1 VAL 12 -4.066 -6.619 -0.657 108 HG21 VAL 12 3HG2 VAL 12 -0.975 -4.735 -2.617 109 HG22 VAL 12 1HG2 VAL 12 -1.463 -6.413 -2.848 110 HG23 VAL 12 2HG2 VAL 12 -0.278 -6.003 -1.608 111 H GLY 13 H GLY 13 -2.321 -4.519 1.435 112 HA2 GLY 13 2HA GLY 13 -4.925 -4.477 2.450 113 HA3 GLY 13 1HA GLY 13 -3.501 -4.127 3.418 114 H LYS 14 H LYS 14 -2.779 -1.873 1.676 115 HA LYS 14 HA LYS 14 -4.317 0.186 3.014 116 HB2 LYS 14 2HB LYS 14 -1.824 -0.150 1.553 117 HB3 LYS 14 1HB LYS 14 -2.650 1.338 1.089 118 HG2 LYS 14 2HG LYS 14 -1.598 2.171 2.941 119 HG3 LYS 14 1HG LYS 14 -2.970 1.444 3.780 120 HD2 LYS 14 2HD LYS 14 -0.314 0.070 3.276 121 HD3 LYS 14 1HD LYS 14 -0.809 0.786 4.810 122 HE2 LYS 14 2HE LYS 14 -1.737 -1.224 5.318 123 HE3 LYS 14 1HE LYS 14 -2.950 -0.889 4.066 124 HZ1 LYS 14 3HZ LYS 14 -0.928 -1.592 2.535 125 HZ2 LYS 14 1HZ LYS 14 -2.020 -2.734 3.154 126 HZ3 LYS 14 2HZ LYS 14 -0.517 -2.501 3.911 127 H THR 15 H THR 15 -4.462 -1.436 -0.038 128 HA THR 15 HA THR 15 -5.967 0.733 -1.355 129 HB THR 15 HB THR 15 -6.063 -1.511 -2.953 130 HG1 THR 15 1HG THR 15 -3.639 -2.020 -2.612 131 HG21 THR 15 3HG2 THR 15 -3.558 0.089 -3.022 132 HG22 THR 15 1HG2 THR 15 -5.073 0.984 -3.149 133 HG23 THR 15 2HG2 THR 15 -4.694 -0.281 -4.319 134 H ILE 16 H ILE 16 -6.536 -2.614 -0.363 135 HA ILE 16 HA ILE 16 -9.179 -2.974 -1.100 136 HB ILE 16 HB ILE 16 -9.283 -4.386 1.034 137 HG12 ILE 16 2HG1 ILE 16 -6.644 -4.515 1.771 138 HG13 ILE 16 1HG1 ILE 16 -6.849 -2.783 1.515 139 HG21 ILE 16 1HG2 ILE 16 -7.355 -4.562 -1.204 140 HG22 ILE 16 2HG2 ILE 16 -8.563 -5.727 -0.663 141 HG23 ILE 16 3HG2 ILE 16 -7.014 -5.612 0.171 142 HD11 ILE 16 3HD1 ILE 16 -7.998 -4.526 3.600 143 HD12 ILE 16 1HD1 ILE 16 -9.145 -3.400 2.873 144 HD13 ILE 16 2HD1 ILE 16 -7.675 -2.793 3.634 145 H HIS 17 H HIS 17 -8.109 -1.513 2.009 146 HA HIS 17 HA HIS 17 -10.760 -0.745 2.762 147 HB2 HIS 17 2HB HIS 17 -9.673 0.014 4.682 148 HB3 HIS 17 1HB HIS 17 -8.553 -1.203 4.097 149 HD1 HIS 17 1HD HIS 17 -8.892 2.436 4.703 150 HD2 HIS 17 2HD HIS 17 -6.222 -0.105 2.768 151 HE1 HIS 17 1HE HIS 17 -6.796 3.795 4.275 152 H ARG 18 H ARG 18 -8.356 0.632 0.739 153 HA ARG 18 HA ARG 18 -9.170 3.382 0.924 154 HB2 ARG 18 2HB ARG 18 -6.952 2.884 0.220 155 HB3 ARG 18 1HB ARG 18 -7.525 1.725 -0.977 156 HG2 ARG 18 2HG ARG 18 -7.463 3.377 -2.502 157 HG3 ARG 18 1HG ARG 18 -8.785 4.156 -1.634 158 HD2 ARG 18 2HD ARG 18 -7.198 5.378 -0.226 159 HD3 ARG 18 1HD ARG 18 -5.837 4.542 -1.001 160 HE ARG 18 HE ARG 18 -6.159 5.890 -2.928 161 HH11 ARG 18 1HH1 ARG 18 -7.519 7.628 -0.643 162 HH12 ARG 18 2HH1 ARG 18 -8.880 8.223 -1.535 163 HH21 ARG 18 1HH2 ARG 18 -8.484 5.980 -4.149 164 HH22 ARG 18 2HH2 ARG 18 -9.425 7.289 -3.520 165 H LEU 19 H LEU 19 -9.843 0.756 -1.306 166 HA LEU 19 HA LEU 19 -11.513 2.306 -3.063 167 HB2 LEU 19 2HB LEU 19 -10.173 -0.098 -3.103 168 HB3 LEU 19 1HB LEU 19 -11.858 -0.611 -2.993 169 HG LEU 19 HG LEU 19 -12.276 1.133 -4.871 170 HD11 LEU 19 1HD1 LEU 19 -9.282 0.882 -4.816 171 HD12 LEU 19 2HD1 LEU 19 -10.272 2.322 -5.051 172 HD13 LEU 19 3HD1 LEU 19 -10.106 1.143 -6.353 173 HD21 LEU 19 3HD2 LEU 19 -10.633 -1.320 -5.563 174 HD22 LEU 19 1HD2 LEU 19 -11.878 -0.555 -6.552 175 HD23 LEU 19 2HD2 LEU 19 -12.325 -1.393 -5.067 176 H VAL 20 H VAL 20 -12.290 -0.376 -0.824 177 HA VAL 20 HA VAL 20 -15.052 -0.317 -0.940 178 HB VAL 20 HB VAL 20 -13.766 -1.985 0.250 179 HG11 VAL 20 1HG1 VAL 20 -12.167 -1.497 1.792 180 HG12 VAL 20 2HG1 VAL 20 -13.165 -0.271 2.575 181 HG13 VAL 20 3HG1 VAL 20 -12.258 0.131 1.118 182 HG21 VAL 20 3HG2 VAL 20 -15.477 -0.356 2.147 183 HG22 VAL 20 1HG2 VAL 20 -14.989 -2.030 2.407 184 HG23 VAL 20 2HG2 VAL 20 -16.050 -1.620 1.060 185 H THR 21 H THR 21 -12.953 2.009 0.522 186 HA THR 21 HA THR 21 -15.202 3.317 1.906 187 HB THR 21 HB THR 21 -12.948 2.762 2.983 188 HG1 THR 21 1HG THR 21 -13.506 4.296 4.278 189 HG21 THR 21 3HG2 THR 21 -11.133 4.375 2.516 190 HG22 THR 21 1HG2 THR 21 -12.111 5.092 1.234 191 HG23 THR 21 2HG2 THR 21 -11.542 3.430 1.085 192 H GLY 22 H GLY 22 -13.841 3.376 -1.093 193 HA2 GLY 22 1HA GLY 22 -13.194 5.953 -1.811 194 HA3 GLY 22 2HA GLY 22 -14.160 4.911 -2.855 Start of MODEL 14 1 H1 PHE 1 1HT PHE 1 14.235 -4.361 -10.540 2 H2 PHE 1 2HT PHE 1 13.314 -4.052 -11.934 3 H3 PHE 1 3HT PHE 1 14.586 -5.178 -11.983 4 HA PHE 1 HA PHE 1 11.912 -5.456 -10.763 5 HB2 PHE 1 2HB PHE 1 12.222 -6.222 -13.025 6 HB3 PHE 1 1HB PHE 1 13.751 -7.000 -12.612 7 HD1 PHE 1 2HD PHE 1 13.766 -9.003 -11.102 8 HD2 PHE 1 1HD PHE 1 10.126 -7.309 -12.631 9 HE1 PHE 1 2HE PHE 1 12.552 -11.088 -10.524 10 HE2 PHE 1 1HE PHE 1 8.913 -9.394 -12.053 11 HZ PHE 1 HZ PHE 1 10.126 -11.283 -10.999 12 H PHE 2 H PHE 2 11.884 -6.211 -8.686 13 HA PHE 2 HA PHE 2 14.305 -7.386 -7.479 14 HB2 PHE 2 2HB PHE 2 11.845 -6.061 -6.685 15 HB3 PHE 2 1HB PHE 2 12.111 -7.514 -5.720 16 HD1 PHE 2 2HD PHE 2 13.927 -4.501 -7.017 17 HD2 PHE 2 1HD PHE 2 13.584 -7.441 -3.903 18 HE1 PHE 2 2HE PHE 2 15.665 -3.314 -5.704 19 HE2 PHE 2 1HE PHE 2 15.321 -6.254 -2.590 20 HZ PHE 2 HZ PHE 2 16.361 -4.190 -3.491 21 H HIS 3 H HIS 3 14.517 -9.562 -6.903 22 HA HIS 3 HA HIS 3 12.924 -11.530 -8.290 23 HB2 HIS 3 2HB HIS 3 14.858 -11.787 -5.962 24 HB3 HIS 3 1HB HIS 3 14.372 -13.088 -7.051 25 HD1 HIS 3 1HD HIS 3 17.341 -12.307 -6.891 26 HD2 HIS 3 2HD HIS 3 14.684 -10.659 -9.648 27 HE1 HIS 3 1HE HIS 3 18.748 -11.442 -8.813 28 H HIS 4 H HIS 4 13.148 -10.575 -4.849 29 HA HIS 4 HA HIS 4 10.682 -12.172 -4.296 30 HB2 HIS 4 2HB HIS 4 12.877 -12.484 -3.033 31 HB3 HIS 4 1HB HIS 4 12.619 -10.875 -2.359 32 HD1 HIS 4 1HD HIS 4 11.496 -14.400 -2.079 33 HD2 HIS 4 2HD HIS 4 10.272 -10.677 -0.656 34 HE1 HIS 4 1HE HIS 4 9.838 -14.854 -0.219 35 H ILE 5 H ILE 5 9.026 -10.702 -4.906 36 HA ILE 5 HA ILE 5 8.858 -7.977 -4.726 37 HB ILE 5 HB ILE 5 6.385 -8.544 -4.121 38 HG12 ILE 5 2HG1 ILE 5 5.735 -10.827 -4.218 39 HG13 ILE 5 1HG1 ILE 5 7.320 -11.337 -4.789 40 HG21 ILE 5 1HG2 ILE 5 5.973 -9.158 -6.389 41 HG22 ILE 5 2HG2 ILE 5 7.561 -9.909 -6.540 42 HG23 ILE 5 3HG2 ILE 5 7.424 -8.156 -6.409 43 HD11 ILE 5 3HD1 ILE 5 6.945 -10.035 -2.089 44 HD12 ILE 5 1HD1 ILE 5 8.318 -10.983 -2.660 45 HD13 ILE 5 2HD1 ILE 5 6.782 -11.776 -2.313 46 H PHE 6 H PHE 6 7.792 -6.581 -3.060 47 HA PHE 6 HA PHE 6 7.614 -7.463 -0.295 48 HB2 PHE 6 2HB PHE 6 9.610 -6.203 0.473 49 HB3 PHE 6 1HB PHE 6 10.057 -7.479 -0.659 50 HD1 PHE 6 1HD PHE 6 10.657 -6.940 -2.998 51 HD2 PHE 6 2HD PHE 6 9.811 -3.867 -0.120 52 HE1 PHE 6 1HE PHE 6 11.686 -5.253 -4.497 53 HE2 PHE 6 2HE PHE 6 10.841 -2.180 -1.618 54 HZ PHE 6 HZ PHE 6 11.779 -2.874 -3.806 55 H ARG 7 H ARG 7 8.118 -4.711 -2.505 56 HA ARG 7 HA ARG 7 7.009 -2.700 -0.781 57 HB2 ARG 7 2HB ARG 7 8.495 -2.237 -2.655 58 HB3 ARG 7 1HB ARG 7 7.344 -2.949 -3.785 59 HG2 ARG 7 2HG ARG 7 6.320 -0.786 -2.033 60 HG3 ARG 7 1HG ARG 7 7.446 -0.307 -3.301 61 HD2 ARG 7 2HD ARG 7 4.844 -1.834 -3.676 62 HD3 ARG 7 1HD ARG 7 5.205 -0.189 -4.238 63 HE ARG 7 HE ARG 7 6.245 -2.678 -5.424 64 HH11 ARG 7 1HH1 ARG 7 5.192 -0.113 -6.788 65 HH12 ARG 7 2HH1 ARG 7 6.659 0.499 -7.476 66 HH21 ARG 7 1HH2 ARG 7 8.716 -1.529 -5.557 67 HH22 ARG 7 2HH2 ARG 7 8.655 -0.302 -6.779 68 HA PRO 8 HA PRO 8 3.019 -3.418 -3.233 69 HB2 PRO 8 2HB PRO 8 2.754 -5.699 -4.707 70 HB3 PRO 8 1HB PRO 8 3.407 -4.186 -5.367 71 HG2 PRO 8 2HG PRO 8 4.776 -6.678 -4.747 72 HG3 PRO 8 1HG PRO 8 5.300 -5.314 -5.739 73 HD2 PRO 8 2HD PRO 8 6.048 -5.953 -3.032 74 HD3 PRO 8 1HD PRO 8 6.663 -4.657 -4.078 75 H ILE 9 H ILE 9 4.662 -5.631 -1.324 76 HA ILE 9 HA ILE 9 2.536 -7.522 -0.794 77 HB ILE 9 HB ILE 9 5.166 -7.566 -0.523 78 HG12 ILE 9 2HG1 ILE 9 4.532 -9.100 1.655 79 HG13 ILE 9 1HG1 ILE 9 2.966 -8.937 0.860 80 HG21 ILE 9 1HG2 ILE 9 4.846 -5.635 1.248 81 HG22 ILE 9 2HG2 ILE 9 6.038 -6.903 1.531 82 HG23 ILE 9 3HG2 ILE 9 4.470 -6.972 2.336 83 HD11 ILE 9 3HD1 ILE 9 5.222 -10.555 0.077 84 HD12 ILE 9 1HD1 ILE 9 4.846 -9.395 -1.198 85 HD13 ILE 9 2HD1 ILE 9 3.603 -10.505 -0.621 86 H VAL 10 H VAL 10 2.920 -4.290 0.033 87 HA VAL 10 HA VAL 10 1.158 -4.610 2.394 88 HB VAL 10 HB VAL 10 3.394 -2.646 1.853 89 HG11 VAL 10 1HG1 VAL 10 1.103 -2.082 3.245 90 HG12 VAL 10 2HG1 VAL 10 2.673 -1.349 3.582 91 HG13 VAL 10 3HG1 VAL 10 2.130 -2.739 4.523 92 HG21 VAL 10 3HG2 VAL 10 3.245 -4.406 4.261 93 HG22 VAL 10 1HG2 VAL 10 4.657 -3.866 3.352 94 HG23 VAL 10 2HG2 VAL 10 3.651 -5.172 2.724 95 H HIS 11 H HIS 11 1.935 -2.746 -0.495 96 HA HIS 11 HA HIS 11 0.132 -0.587 -0.201 97 HB2 HIS 11 2HB HIS 11 1.934 -1.414 -2.033 98 HB3 HIS 11 1HB HIS 11 0.447 -1.859 -2.871 99 HD1 HIS 11 1HD HIS 11 2.234 1.141 -1.419 100 HD2 HIS 11 2HD HIS 11 -1.058 0.314 -3.841 101 HE1 HIS 11 1HE HIS 11 1.456 3.362 -2.355 102 H VAL 12 H VAL 12 -0.520 -3.915 -0.606 103 HA VAL 12 HA VAL 12 -3.076 -3.741 -1.952 104 HB VAL 12 HB VAL 12 -2.165 -5.877 -0.012 105 HG11 VAL 12 1HG1 VAL 12 -4.100 -5.623 -2.247 106 HG12 VAL 12 2HG1 VAL 12 -4.165 -6.646 -0.811 107 HG13 VAL 12 3HG1 VAL 12 -3.181 -7.129 -2.194 108 HG21 VAL 12 3HG2 VAL 12 -1.099 -5.164 -2.737 109 HG22 VAL 12 1HG2 VAL 12 -1.106 -6.844 -2.202 110 HG23 VAL 12 2HG2 VAL 12 -0.209 -5.631 -1.288 111 H GLY 13 H GLY 13 -2.385 -4.615 1.458 112 HA2 GLY 13 2HA GLY 13 -4.937 -4.398 2.485 113 HA3 GLY 13 1HA GLY 13 -3.511 -3.987 3.426 114 H LYS 14 H LYS 14 -2.874 -1.839 1.426 115 HA LYS 14 HA LYS 14 -4.388 0.282 2.715 116 HB2 LYS 14 2HB LYS 14 -2.029 -0.021 0.925 117 HB3 LYS 14 1HB LYS 14 -2.841 1.546 0.931 118 HG2 LYS 14 2HG LYS 14 -1.289 1.804 2.661 119 HG3 LYS 14 1HG LYS 14 -2.731 1.291 3.539 120 HD2 LYS 14 2HD LYS 14 -0.888 -0.821 2.505 121 HD3 LYS 14 1HD LYS 14 -0.390 0.089 3.931 122 HE2 LYS 14 2HE LYS 14 -2.022 -0.847 5.253 123 HE3 LYS 14 1HE LYS 14 -3.197 -0.911 3.924 124 HZ1 LYS 14 3HZ LYS 14 -0.760 -2.602 4.067 125 HZ2 LYS 14 1HZ LYS 14 -2.018 -2.718 2.934 126 HZ3 LYS 14 2HZ LYS 14 -2.300 -3.124 4.559 127 H THR 15 H THR 15 -4.439 -1.398 -0.353 128 HA THR 15 HA THR 15 -6.036 0.642 -1.715 129 HB THR 15 HB THR 15 -6.140 -1.227 -3.441 130 HG1 THR 15 1HG THR 15 -5.812 -3.083 -2.497 131 HG21 THR 15 3HG2 THR 15 -3.916 0.349 -2.526 132 HG22 THR 15 1HG2 THR 15 -4.308 -0.153 -4.170 133 HG23 THR 15 2HG2 THR 15 -3.323 -1.194 -3.141 134 H ILE 16 H ILE 16 -6.623 -2.651 -0.575 135 HA ILE 16 HA ILE 16 -9.317 -2.952 -1.150 136 HB ILE 16 HB ILE 16 -7.830 -3.764 1.366 137 HG12 ILE 16 2HG1 ILE 16 -7.981 -5.840 -0.578 138 HG13 ILE 16 1HG1 ILE 16 -7.383 -4.397 -1.399 139 HG21 ILE 16 1HG2 ILE 16 -9.422 -5.812 0.933 140 HG22 ILE 16 2HG2 ILE 16 -10.377 -4.627 0.045 141 HG23 ILE 16 3HG2 ILE 16 -10.039 -4.381 1.758 142 HD11 ILE 16 3HD1 ILE 16 -5.367 -5.035 -0.556 143 HD12 ILE 16 1HD1 ILE 16 -6.100 -6.038 0.696 144 HD13 ILE 16 2HD1 ILE 16 -5.961 -4.296 0.930 145 H HIS 17 H HIS 17 -8.367 -2.194 2.208 146 HA HIS 17 HA HIS 17 -10.784 -1.179 3.081 147 HB2 HIS 17 2HB HIS 17 -9.536 -0.503 4.928 148 HB3 HIS 17 1HB HIS 17 -8.453 -1.673 4.189 149 HD1 HIS 17 1HD HIS 17 -8.531 1.728 5.376 150 HD2 HIS 17 2HD HIS 17 -6.522 -0.271 2.325 151 HE1 HIS 17 1HE HIS 17 -6.572 3.199 4.727 152 H ARG 18 H ARG 18 -8.417 0.380 1.083 153 HA ARG 18 HA ARG 18 -9.402 3.063 1.380 154 HB2 ARG 18 2HB ARG 18 -7.145 2.760 0.720 155 HB3 ARG 18 1HB ARG 18 -7.598 1.607 -0.535 156 HG2 ARG 18 2HG ARG 18 -7.066 3.729 -1.592 157 HG3 ARG 18 1HG ARG 18 -8.803 3.452 -1.723 158 HD2 ARG 18 2HD ARG 18 -9.293 5.263 -0.431 159 HD3 ARG 18 1HD ARG 18 -8.019 4.870 0.742 160 HE ARG 18 HE ARG 18 -7.723 6.760 -1.371 161 HH11 ARG 18 1HH2 ARG 18 -6.129 4.342 0.469 162 HH12 ARG 18 2HH2 ARG 18 -4.552 4.716 -0.143 163 HH21 ARG 18 1HH1 ARG 18 -5.693 7.125 -2.361 164 HH22 ARG 18 2HH1 ARG 18 -4.306 6.291 -1.745 165 H LEU 19 H LEU 19 -9.432 0.949 -1.440 166 HA LEU 19 HA LEU 19 -11.152 2.244 -3.139 167 HB2 LEU 19 2HB LEU 19 -10.005 -0.201 -3.005 168 HB3 LEU 19 1HB LEU 19 -11.687 -0.652 -2.720 169 HG LEU 19 HG LEU 19 -12.103 0.988 -4.774 170 HD11 LEU 19 1HD1 LEU 19 -9.769 1.667 -5.019 171 HD12 LEU 19 2HD1 LEU 19 -10.251 0.722 -6.426 172 HD13 LEU 19 3HD1 LEU 19 -9.267 -0.017 -5.164 173 HD21 LEU 19 3HD2 LEU 19 -11.576 -1.145 -6.251 174 HD22 LEU 19 1HD2 LEU 19 -12.866 -1.197 -5.049 175 HD23 LEU 19 2HD2 LEU 19 -11.291 -1.900 -4.683 176 H VAL 20 H VAL 20 -12.305 -0.134 -0.701 177 HA VAL 20 HA VAL 20 -15.043 0.235 -1.011 178 HB VAL 20 HB VAL 20 -14.006 -1.507 0.336 179 HG11 VAL 20 1HG1 VAL 20 -12.967 -0.927 2.516 180 HG12 VAL 20 2HG1 VAL 20 -13.180 0.784 2.146 181 HG13 VAL 20 3HG1 VAL 20 -12.098 -0.203 1.163 182 HG21 VAL 20 3HG2 VAL 20 -15.267 -0.909 2.601 183 HG22 VAL 20 1HG2 VAL 20 -16.165 -1.278 1.130 184 HG23 VAL 20 2HG2 VAL 20 -15.919 0.399 1.615 185 H THR 21 H THR 21 -12.731 2.305 0.541 186 HA THR 21 HA THR 21 -14.739 3.925 1.890 187 HB THR 21 HB THR 21 -11.749 3.954 1.557 188 HG1 THR 21 1HG THR 21 -12.988 2.652 3.129 189 HG21 THR 21 3HG2 THR 21 -13.367 6.053 3.022 190 HG22 THR 21 1HG2 THR 21 -12.605 6.307 1.451 191 HG23 THR 21 2HG2 THR 21 -11.611 5.984 2.873 192 H GLY 22 H GLY 22 -13.420 3.746 -1.217 193 HA2 GLY 22 1HA GLY 22 -13.080 6.306 -2.165 194 HA3 GLY 22 2HA GLY 22 -13.900 5.067 -3.114 Start of MODEL 15 1 H1 PHE 1 1HT PHE 1 6.629 2.323 0.236 2 H2 PHE 1 2HT PHE 1 5.982 2.022 1.778 3 H3 PHE 1 3HT PHE 1 7.531 1.452 1.377 4 HA PHE 1 HA PHE 1 6.734 4.305 1.677 5 HB2 PHE 1 2HB PHE 1 7.981 2.175 3.348 6 HB3 PHE 1 1HB PHE 1 8.664 3.795 3.490 7 HD1 PHE 1 1HD PHE 1 7.194 5.721 4.127 8 HD2 PHE 1 2HD PHE 1 5.814 1.655 4.226 9 HE1 PHE 1 1HE PHE 1 5.287 6.404 5.558 10 HE2 PHE 1 2HE PHE 1 3.907 2.337 5.659 11 HZ PHE 1 HZ PHE 1 3.644 4.711 6.325 12 H PHE 2 H PHE 2 9.279 1.934 0.903 13 HA PHE 2 HA PHE 2 11.059 4.143 -0.018 14 HB2 PHE 2 2HB PHE 2 11.651 2.142 1.561 15 HB3 PHE 2 1HB PHE 2 11.714 1.202 0.068 16 HD1 PHE 2 1HD PHE 2 13.225 2.009 -1.820 17 HD2 PHE 2 2HD PHE 2 13.440 3.570 2.176 18 HE1 PHE 2 1HE PHE 2 15.494 2.898 -2.288 19 HE2 PHE 2 2HE PHE 2 15.707 4.457 1.708 20 HZ PHE 2 HZ PHE 2 16.735 4.121 -0.524 21 H HIS 3 H HIS 3 11.057 4.608 -2.180 22 HA HIS 3 HA HIS 3 10.704 4.359 -4.507 23 HB2 HIS 3 2HB HIS 3 12.385 2.370 -3.464 24 HB3 HIS 3 1HB HIS 3 11.275 1.501 -4.525 25 HD1 HIS 3 1HD HIS 3 12.450 5.053 -5.097 26 HD2 HIS 3 2HD HIS 3 12.984 1.260 -6.740 27 HE1 HIS 3 1HE HIS 3 13.731 5.383 -7.257 28 H HIS 4 H HIS 4 9.882 1.828 -5.777 29 HA HIS 4 HA HIS 4 6.982 1.989 -5.154 30 HB2 HIS 4 2HB HIS 4 6.744 0.979 -7.339 31 HB3 HIS 4 1HB HIS 4 7.990 2.220 -7.469 32 HD1 HIS 4 1HD HIS 4 10.354 1.470 -8.040 33 HD2 HIS 4 2HD HIS 4 7.793 -1.733 -7.286 34 HE1 HIS 4 1HE HIS 4 11.614 -0.627 -8.697 35 H ILE 5 H ILE 5 9.605 -0.420 -5.367 36 HA ILE 5 HA ILE 5 8.305 -2.818 -4.977 37 HB ILE 5 HB ILE 5 10.711 -2.561 -5.183 38 HG12 ILE 5 2HG1 ILE 5 11.460 -4.072 -3.361 39 HG13 ILE 5 1HG1 ILE 5 9.953 -3.761 -2.499 40 HG21 ILE 5 1HG2 ILE 5 11.330 -0.619 -4.072 41 HG22 ILE 5 2HG2 ILE 5 11.871 -1.833 -2.913 42 HG23 ILE 5 3HG2 ILE 5 10.342 -0.990 -2.659 43 HD11 ILE 5 3HD1 ILE 5 9.652 -5.822 -3.698 44 HD12 ILE 5 1HD1 ILE 5 10.291 -5.119 -5.184 45 HD13 ILE 5 2HD1 ILE 5 8.728 -4.592 -4.561 46 H PHE 6 H PHE 6 8.027 -4.077 -2.880 47 HA PHE 6 HA PHE 6 7.077 -4.311 -0.727 48 HB2 PHE 6 2HB PHE 6 7.847 -1.398 -0.374 49 HB3 PHE 6 1HB PHE 6 7.654 -2.617 0.882 50 HD1 PHE 6 2HD PHE 6 9.059 -4.935 -0.045 51 HD2 PHE 6 1HD PHE 6 10.100 -0.797 -0.534 52 HE1 PHE 6 2HE PHE 6 11.447 -5.563 -0.271 53 HE2 PHE 6 1HE PHE 6 12.488 -1.424 -0.759 54 HZ PHE 6 HZ PHE 6 13.162 -3.807 -0.628 55 H ARG 7 H ARG 7 5.900 -2.556 -3.186 56 HA ARG 7 HA ARG 7 3.618 -1.291 -1.787 57 HB2 ARG 7 2HB ARG 7 4.554 0.052 -3.471 58 HB3 ARG 7 1HB ARG 7 4.840 -1.323 -4.534 59 HG2 ARG 7 2HG ARG 7 2.339 -1.557 -4.776 60 HG3 ARG 7 1HG ARG 7 2.174 -0.040 -3.891 61 HD2 ARG 7 2HD ARG 7 2.197 0.141 -6.463 62 HD3 ARG 7 1HD ARG 7 3.348 1.185 -5.603 63 HE ARG 7 HE ARG 7 5.126 -0.430 -6.137 64 HH11 ARG 7 1HH1 ARG 7 2.319 -2.093 -6.796 65 HH12 ARG 7 2HH1 ARG 7 2.792 -2.650 -8.366 66 HH21 ARG 7 1HH2 ARG 7 5.631 -0.665 -8.507 67 HH22 ARG 7 2HH2 ARG 7 4.667 -1.842 -9.335 68 HA PRO 8 HA PRO 8 1.482 -4.507 -4.585 69 HB2 PRO 8 2HB PRO 8 2.969 -6.584 -5.540 70 HB3 PRO 8 1HB PRO 8 2.707 -5.077 -6.440 71 HG2 PRO 8 2HG PRO 8 5.096 -6.039 -5.032 72 HG3 PRO 8 1HG PRO 8 4.943 -4.906 -6.378 73 HD2 PRO 8 2HD PRO 8 5.391 -4.269 -3.673 74 HD3 PRO 8 1HD PRO 8 5.027 -3.141 -4.993 75 H ILE 9 H ILE 9 3.615 -4.972 -2.052 76 HA ILE 9 HA ILE 9 2.292 -7.536 -1.247 77 HB ILE 9 HB ILE 9 5.018 -6.347 -0.675 78 HG12 ILE 9 2HG1 ILE 9 4.915 -7.469 -2.807 79 HG13 ILE 9 1HG1 ILE 9 5.723 -8.566 -1.686 80 HG21 ILE 9 1HG2 ILE 9 4.259 -7.353 1.387 81 HG22 ILE 9 2HG2 ILE 9 5.384 -8.481 0.629 82 HG23 ILE 9 3HG2 ILE 9 3.647 -8.767 0.529 83 HD11 ILE 9 3HD1 ILE 9 4.127 -9.918 -2.815 84 HD12 ILE 9 1HD1 ILE 9 2.873 -8.684 -2.682 85 HD13 ILE 9 2HD1 ILE 9 3.396 -9.568 -1.247 86 H VAL 10 H VAL 10 2.598 -4.234 -0.572 87 HA VAL 10 HA VAL 10 1.477 -4.631 2.142 88 HB VAL 10 HB VAL 10 3.377 -2.528 1.083 89 HG11 VAL 10 1HG1 VAL 10 3.053 -1.278 2.974 90 HG12 VAL 10 2HG1 VAL 10 2.730 -2.693 3.976 91 HG13 VAL 10 3HG1 VAL 10 1.462 -2.039 2.939 92 HG21 VAL 10 3HG2 VAL 10 3.869 -4.338 3.429 93 HG22 VAL 10 1HG2 VAL 10 5.036 -3.583 2.341 94 HG23 VAL 10 2HG2 VAL 10 4.089 -4.969 1.796 95 H HIS 11 H HIS 11 1.681 -2.351 -0.601 96 HA HIS 11 HA HIS 11 -0.376 -0.580 0.117 97 HB2 HIS 11 2HB HIS 11 1.296 -1.026 -2.022 98 HB3 HIS 11 1HB HIS 11 -0.289 -1.358 -2.721 99 HD1 HIS 11 1HD HIS 11 0.809 1.265 -0.172 100 HD2 HIS 11 2HD HIS 11 -1.081 1.018 -3.879 101 HE1 HIS 11 1HE HIS 11 0.115 3.624 -0.780 102 H VAL 12 H VAL 12 -0.599 -3.884 -0.801 103 HA VAL 12 HA VAL 12 -3.221 -4.011 -1.904 104 HB VAL 12 HB VAL 12 -1.529 -5.828 -1.868 105 HG11 VAL 12 1HG1 VAL 12 -2.270 -6.262 1.025 106 HG12 VAL 12 2HG1 VAL 12 -0.893 -5.260 0.570 107 HG13 VAL 12 3HG1 VAL 12 -0.930 -6.965 0.120 108 HG21 VAL 12 3HG2 VAL 12 -4.016 -6.282 -2.088 109 HG22 VAL 12 1HG2 VAL 12 -4.025 -6.668 -0.367 110 HG23 VAL 12 2HG2 VAL 12 -3.069 -7.641 -1.485 111 H GLY 13 H GLY 13 -2.127 -4.202 1.499 112 HA2 GLY 13 2HA GLY 13 -4.770 -4.513 2.552 113 HA3 GLY 13 1HA GLY 13 -3.351 -4.089 3.493 114 H LYS 14 H LYS 14 -2.748 -1.802 1.783 115 HA LYS 14 HA LYS 14 -4.454 0.154 3.094 116 HB2 LYS 14 2HB LYS 14 -2.052 0.250 1.267 117 HB3 LYS 14 1HB LYS 14 -2.836 1.710 1.872 118 HG2 LYS 14 2HG LYS 14 -1.225 1.391 3.513 119 HG3 LYS 14 1HG LYS 14 -2.574 0.491 4.209 120 HD2 LYS 14 2HD LYS 14 -1.079 -1.181 2.377 121 HD3 LYS 14 1HD LYS 14 -0.012 -0.507 3.609 122 HE2 LYS 14 2HE LYS 14 -1.147 -1.558 5.359 123 HE3 LYS 14 1HE LYS 14 -2.663 -1.665 4.442 124 HZ1 LYS 14 3HZ LYS 14 -0.172 -3.220 4.026 125 HZ2 LYS 14 1HZ LYS 14 -1.400 -3.136 2.858 126 HZ3 LYS 14 2HZ LYS 14 -1.724 -3.814 4.381 127 H THR 15 H THR 15 -4.260 -1.373 -0.017 128 HA THR 15 HA THR 15 -5.778 0.738 -1.397 129 HB THR 15 HB THR 15 -5.641 -1.031 -3.249 130 HG1 THR 15 1HG THR 15 -3.733 -2.239 -1.591 131 HG21 THR 15 3HG2 THR 15 -3.329 0.294 -1.888 132 HG22 THR 15 1HG2 THR 15 -4.016 0.602 -3.483 133 HG23 THR 15 2HG2 THR 15 -3.001 -0.816 -3.218 134 H ILE 16 H ILE 16 -6.301 -2.583 -0.339 135 HA ILE 16 HA ILE 16 -8.883 -3.039 -1.278 136 HB ILE 16 HB ILE 16 -9.041 -4.447 0.893 137 HG12 ILE 16 2HG1 ILE 16 -6.281 -4.503 1.454 138 HG13 ILE 16 1HG1 ILE 16 -6.718 -2.796 1.456 139 HG21 ILE 16 1HG2 ILE 16 -7.255 -5.992 0.047 140 HG22 ILE 16 2HG2 ILE 16 -6.730 -4.713 -1.048 141 HG23 ILE 16 3HG2 ILE 16 -8.340 -5.412 -1.217 142 HD11 ILE 16 3HD1 ILE 16 -7.807 -5.020 3.167 143 HD12 ILE 16 1HD1 ILE 16 -8.755 -3.558 2.890 144 HD13 ILE 16 2HD1 ILE 16 -7.174 -3.450 3.665 145 H HIS 17 H HIS 17 -8.161 -1.800 2.030 146 HA HIS 17 HA HIS 17 -10.844 -1.075 2.578 147 HB2 HIS 17 2HB HIS 17 -9.900 -0.259 4.581 148 HB3 HIS 17 1HB HIS 17 -8.807 -1.543 4.089 149 HD1 HIS 17 1HD HIS 17 -8.825 1.943 5.031 150 HD2 HIS 17 2HD HIS 17 -6.508 -0.415 2.502 151 HE1 HIS 17 1HE HIS 17 -6.682 3.231 4.621 152 H ARG 18 H ARG 18 -8.364 0.478 0.781 153 HA ARG 18 HA ARG 18 -9.244 3.188 1.064 154 HB2 ARG 18 2HB ARG 18 -6.995 2.693 0.387 155 HB3 ARG 18 1HB ARG 18 -7.566 1.687 -0.944 156 HG2 ARG 18 2HG ARG 18 -7.421 3.513 -2.254 157 HG3 ARG 18 1HG ARG 18 -8.799 4.161 -1.363 158 HD2 ARG 18 2HD ARG 18 -7.468 5.510 -0.011 159 HD3 ARG 18 1HD ARG 18 -6.052 4.454 -0.180 160 HE ARG 18 HE ARG 18 -5.480 5.789 -2.035 161 HH11 ARG 18 1HH1 ARG 18 -8.228 7.251 -1.200 162 HH12 ARG 18 2HH1 ARG 18 -8.878 7.472 -2.791 163 HH21 ARG 18 1HH2 ARG 18 -6.596 5.345 -4.305 164 HH22 ARG 18 2HH2 ARG 18 -7.954 6.392 -4.550 165 H LEU 19 H LEU 19 -9.849 0.660 -1.293 166 HA LEU 19 HA LEU 19 -11.392 2.191 -3.129 167 HB2 LEU 19 2HB LEU 19 -11.337 -0.755 -2.426 168 HB3 LEU 19 1HB LEU 19 -12.132 -0.098 -3.857 169 HG LEU 19 HG LEU 19 -9.275 0.642 -3.347 170 HD11 LEU 19 1HD1 LEU 19 -10.008 -1.893 -4.814 171 HD12 LEU 19 2HD1 LEU 19 -9.637 -1.910 -3.089 172 HD13 LEU 19 3HD1 LEU 19 -8.421 -1.372 -4.248 173 HD21 LEU 19 3HD2 LEU 19 -10.155 -0.150 -6.028 174 HD22 LEU 19 1HD2 LEU 19 -9.405 1.355 -5.495 175 HD23 LEU 19 2HD2 LEU 19 -11.149 1.136 -5.342 176 H VAL 20 H VAL 20 -12.495 -0.144 -0.637 177 HA VAL 20 HA VAL 20 -15.240 0.265 -0.845 178 HB VAL 20 HB VAL 20 -14.256 -1.486 0.478 179 HG11 VAL 20 1HG1 VAL 20 -12.968 0.824 1.930 180 HG12 VAL 20 2HG1 VAL 20 -12.190 -0.568 1.179 181 HG13 VAL 20 3HG1 VAL 20 -13.101 -0.768 2.676 182 HG21 VAL 20 3HG2 VAL 20 -15.317 -0.979 2.765 183 HG22 VAL 20 1HG2 VAL 20 -16.380 -0.902 1.360 184 HG23 VAL 20 2HG2 VAL 20 -15.758 0.584 2.077 185 H THR 21 H THR 21 -12.829 2.348 0.466 186 HA THR 21 HA THR 21 -14.903 4.152 1.564 187 HB THR 21 HB THR 21 -13.059 3.180 3.033 188 HG1 THR 21 1HG THR 21 -12.615 5.270 3.947 189 HG21 THR 21 3HG2 THR 21 -11.295 3.386 1.265 190 HG22 THR 21 1HG2 THR 21 -10.832 4.116 2.803 191 HG23 THR 21 2HG2 THR 21 -11.359 5.137 1.466 192 H GLY 22 H GLY 22 -13.401 3.717 -1.234 193 HA2 GLY 22 1HA GLY 22 -11.884 5.879 -1.990 194 HA3 GLY 22 2HA GLY 22 -13.116 5.196 -3.051 Start of MODEL 16 1 H1 PHE 1 1HT PHE 1 12.903 -13.795 5.183 2 H2 PHE 1 2HT PHE 1 13.757 -15.251 5.372 3 H3 PHE 1 3HT PHE 1 12.321 -15.216 4.467 4 HA PHE 1 HA PHE 1 14.905 -13.931 3.747 5 HB2 PHE 1 2HB PHE 1 14.894 -15.626 2.005 6 HB3 PHE 1 1HB PHE 1 14.620 -16.427 3.552 7 HD1 PHE 1 1HD PHE 1 13.084 -15.372 0.376 8 HD2 PHE 1 2HD PHE 1 12.435 -17.347 4.136 9 HE1 PHE 1 1HE PHE 1 10.942 -16.288 -0.474 10 HE2 PHE 1 2HE PHE 1 10.292 -18.261 3.285 11 HZ PHE 1 HZ PHE 1 9.546 -17.732 0.980 12 H PHE 2 H PHE 2 11.428 -14.174 3.209 13 HA PHE 2 HA PHE 2 9.986 -12.896 1.839 14 HB2 PHE 2 2HB PHE 2 12.321 -10.962 1.928 15 HB3 PHE 2 1HB PHE 2 10.614 -10.562 1.738 16 HD1 PHE 2 1HD PHE 2 9.026 -10.890 3.632 17 HD2 PHE 2 2HD PHE 2 13.262 -11.446 4.088 18 HE1 PHE 2 1HE PHE 2 8.776 -10.777 6.097 19 HE2 PHE 2 2HE PHE 2 13.011 -11.332 6.553 20 HZ PHE 2 HZ PHE 2 10.768 -10.997 7.557 21 H HIS 3 H HIS 3 9.838 -11.875 -0.391 22 HA HIS 3 HA HIS 3 11.573 -13.363 -2.276 23 HB2 HIS 3 2HB HIS 3 9.210 -11.536 -2.800 24 HB3 HIS 3 1HB HIS 3 9.843 -12.795 -3.861 25 HD1 HIS 3 1HD HIS 3 10.219 -14.682 -1.136 26 HD2 HIS 3 2HD HIS 3 6.725 -13.070 -2.739 27 HE1 HIS 3 1HE HIS 3 8.311 -16.108 -0.275 28 H HIS 4 H HIS 4 10.966 -11.233 -4.340 29 HA HIS 4 HA HIS 4 13.402 -9.651 -3.931 30 HB2 HIS 4 2HB HIS 4 11.309 -9.437 -6.112 31 HB3 HIS 4 1HB HIS 4 13.018 -9.014 -6.216 32 HD1 HIS 4 1HD HIS 4 10.775 -11.664 -7.078 33 HD2 HIS 4 2HD HIS 4 14.689 -11.526 -5.648 34 HE1 HIS 4 1HE HIS 4 11.804 -13.923 -7.586 35 H ILE 5 H ILE 5 10.183 -8.495 -4.999 36 HA ILE 5 HA ILE 5 10.514 -5.859 -4.069 37 HB ILE 5 HB ILE 5 8.050 -5.820 -4.433 38 HG12 ILE 5 2HG1 ILE 5 7.283 -8.188 -5.403 39 HG13 ILE 5 1HG1 ILE 5 8.496 -8.764 -4.258 40 HG21 ILE 5 1HG2 ILE 5 8.282 -7.054 -6.798 41 HG22 ILE 5 2HG2 ILE 5 9.988 -7.014 -6.351 42 HG23 ILE 5 3HG2 ILE 5 9.071 -5.512 -6.471 43 HD11 ILE 5 3HD1 ILE 5 7.142 -6.880 -2.772 44 HD12 ILE 5 1HD1 ILE 5 6.845 -8.618 -2.713 45 HD13 ILE 5 2HD1 ILE 5 5.852 -7.587 -3.745 46 H PHE 6 H PHE 6 9.403 -4.819 -2.227 47 HA PHE 6 HA PHE 6 8.620 -6.649 0.001 48 HB2 PHE 6 2HB PHE 6 10.657 -4.400 0.143 49 HB3 PHE 6 1HB PHE 6 10.137 -5.401 1.499 50 HD1 PHE 6 1HD PHE 6 10.099 -8.087 0.618 51 HD2 PHE 6 2HD PHE 6 12.800 -4.964 -0.566 52 HE1 PHE 6 1HE PHE 6 11.804 -9.787 0.022 53 HE2 PHE 6 2HE PHE 6 14.504 -6.663 -1.164 54 HZ PHE 6 HZ PHE 6 14.006 -9.074 -0.870 55 H ARG 7 H ARG 7 8.887 -3.275 -1.144 56 HA ARG 7 HA ARG 7 7.109 -2.103 0.750 57 HB2 ARG 7 2HB ARG 7 7.961 -1.419 -2.074 58 HB3 ARG 7 1HB ARG 7 7.083 -0.317 -1.025 59 HG2 ARG 7 2HG ARG 7 8.863 -0.133 0.501 60 HG3 ARG 7 1HG ARG 7 9.627 -1.611 -0.085 61 HD2 ARG 7 2HD ARG 7 9.330 0.893 -1.779 62 HD3 ARG 7 1HD ARG 7 10.794 0.491 -0.859 63 HE ARG 7 HE ARG 7 9.697 -1.548 -2.732 64 HH11 ARG 7 1HH1 ARG 7 12.443 -0.834 -1.128 65 HH12 ARG 7 2HH1 ARG 7 13.495 -0.762 -2.501 66 HH21 ARG 7 1HH2 ARG 7 10.910 -0.792 -4.814 67 HH22 ARG 7 2HH2 ARG 7 12.626 -0.738 -4.589 68 HA PRO 8 HA PRO 8 3.798 -2.760 -2.593 69 HB2 PRO 8 2HB PRO 8 4.090 -4.840 -4.330 70 HB3 PRO 8 1HB PRO 8 4.633 -3.186 -4.682 71 HG2 PRO 8 2HG PRO 8 6.197 -5.563 -3.903 72 HG3 PRO 8 1HG PRO 8 6.641 -4.182 -4.912 73 HD2 PRO 8 2HD PRO 8 7.408 -4.566 -2.273 74 HD3 PRO 8 1HD PRO 8 7.481 -3.032 -3.162 75 H ILE 9 H ILE 9 5.252 -4.907 -0.527 76 HA ILE 9 HA ILE 9 3.260 -7.065 -0.681 77 HB ILE 9 HB ILE 9 5.630 -6.357 1.046 78 HG12 ILE 9 2HG1 ILE 9 5.032 -8.853 -0.559 79 HG13 ILE 9 1HG1 ILE 9 5.817 -7.439 -1.263 80 HG21 ILE 9 1HG2 ILE 9 3.555 -8.512 1.495 81 HG22 ILE 9 2HG2 ILE 9 4.139 -7.311 2.647 82 HG23 ILE 9 3HG2 ILE 9 5.192 -8.632 2.142 83 HD11 ILE 9 3HD1 ILE 9 7.773 -8.249 -0.494 84 HD12 ILE 9 1HD1 ILE 9 6.952 -9.510 0.425 85 HD13 ILE 9 2HD1 ILE 9 7.194 -7.914 1.138 86 H VAL 10 H VAL 10 3.271 -3.963 0.581 87 HA VAL 10 HA VAL 10 1.221 -4.688 2.594 88 HB VAL 10 HB VAL 10 3.327 -2.518 2.626 89 HG11 VAL 10 1HG1 VAL 10 2.249 -1.513 4.358 90 HG12 VAL 10 2HG1 VAL 10 1.762 -3.053 5.065 91 HG13 VAL 10 3HG1 VAL 10 0.820 -2.351 3.749 92 HG21 VAL 10 3HG2 VAL 10 3.853 -5.023 3.149 93 HG22 VAL 10 1HG2 VAL 10 2.953 -4.729 4.638 94 HG23 VAL 10 2HG2 VAL 10 4.404 -3.791 4.286 95 H HIS 11 H HIS 11 2.147 -2.626 -0.065 96 HA HIS 11 HA HIS 11 0.224 -0.546 0.210 97 HB2 HIS 11 2HB HIS 11 2.123 -0.538 -1.360 98 HB3 HIS 11 1HB HIS 11 1.399 -1.877 -2.252 99 HD1 HIS 11 1HD HIS 11 0.326 -1.031 -4.328 100 HD2 HIS 11 2HD HIS 11 -0.134 1.658 -1.176 101 HE1 HIS 11 1HE HIS 11 -1.051 0.896 -5.226 102 H VAL 12 H VAL 12 -0.190 -3.864 -0.407 103 HA VAL 12 HA VAL 12 -2.563 -3.800 -2.049 104 HB VAL 12 HB VAL 12 -1.792 -5.912 -0.023 105 HG11 VAL 12 1HG1 VAL 12 -3.831 -6.393 -1.200 106 HG12 VAL 12 2HG1 VAL 12 -2.573 -7.384 -1.939 107 HG13 VAL 12 3HG1 VAL 12 -3.124 -5.915 -2.743 108 HG21 VAL 12 3HG2 VAL 12 -0.430 -5.104 -2.585 109 HG22 VAL 12 1HG2 VAL 12 -0.418 -6.792 -2.074 110 HG23 VAL 12 2HG2 VAL 12 0.293 -5.553 -1.040 111 H GLY 13 H GLY 13 -2.301 -4.748 1.400 112 HA2 GLY 13 2HA GLY 13 -4.982 -4.605 2.069 113 HA3 GLY 13 1HA GLY 13 -3.704 -4.227 3.214 114 H LYS 14 H LYS 14 -2.830 -2.003 1.381 115 HA LYS 14 HA LYS 14 -4.422 0.079 2.590 116 HB2 LYS 14 2HB LYS 14 -1.962 -0.231 0.985 117 HB3 LYS 14 1HB LYS 14 -2.792 1.314 0.794 118 HG2 LYS 14 2HG LYS 14 -1.396 1.729 2.628 119 HG3 LYS 14 1HG LYS 14 -2.915 1.283 3.407 120 HD2 LYS 14 2HD LYS 14 -0.898 -0.842 2.748 121 HD3 LYS 14 1HD LYS 14 -0.691 0.141 4.196 122 HE2 LYS 14 2HE LYS 14 -2.417 -0.890 5.278 123 HE3 LYS 14 1HE LYS 14 -3.428 -0.920 3.820 124 HZ1 LYS 14 3HZ LYS 14 -2.710 -3.155 4.391 125 HZ2 LYS 14 1HZ LYS 14 -1.084 -2.671 4.351 126 HZ3 LYS 14 2HZ LYS 14 -2.005 -2.670 2.923 127 H THR 15 H THR 15 -4.546 -1.652 -0.405 128 HA THR 15 HA THR 15 -6.037 0.471 -1.807 129 HB THR 15 HB THR 15 -6.045 -1.272 -3.615 130 HG1 THR 15 1HG THR 15 -4.888 -3.157 -3.202 131 HG21 THR 15 3HG2 THR 15 -3.437 -0.556 -2.266 132 HG22 THR 15 1HG2 THR 15 -4.220 0.284 -3.602 133 HG23 THR 15 2HG2 THR 15 -3.521 -1.315 -3.855 134 H ILE 16 H ILE 16 -6.624 -2.744 -0.499 135 HA ILE 16 HA ILE 16 -9.297 -3.108 -1.258 136 HB ILE 16 HB ILE 16 -7.844 -3.894 1.285 137 HG12 ILE 16 2HG1 ILE 16 -7.915 -6.075 -0.407 138 HG13 ILE 16 1HG1 ILE 16 -7.652 -4.738 -1.527 139 HG21 ILE 16 1HG2 ILE 16 -10.308 -4.994 -0.084 140 HG22 ILE 16 2HG2 ILE 16 -10.216 -4.280 1.525 141 HG23 ILE 16 3HG2 ILE 16 -9.444 -5.831 1.204 142 HD11 ILE 16 3HD1 ILE 16 -5.956 -4.121 0.567 143 HD12 ILE 16 1HD1 ILE 16 -5.471 -4.890 -0.945 144 HD13 ILE 16 2HD1 ILE 16 -5.835 -5.878 0.471 145 H HIS 17 H HIS 17 -8.082 -1.770 1.843 146 HA HIS 17 HA HIS 17 -10.659 -0.964 2.753 147 HB2 HIS 17 2HB HIS 17 -9.460 -0.350 4.637 148 HB3 HIS 17 1HB HIS 17 -8.320 -1.460 3.894 149 HD1 HIS 17 1HD HIS 17 -6.583 -0.166 2.136 150 HD2 HIS 17 2HD HIS 17 -8.344 2.119 5.144 151 HE1 HIS 17 1HE HIS 17 -5.185 1.939 2.352 152 H ARG 18 H ARG 18 -8.459 0.430 0.539 153 HA ARG 18 HA ARG 18 -9.077 3.192 0.909 154 HB2 ARG 18 2HB ARG 18 -7.060 2.458 -0.193 155 HB3 ARG 18 1HB ARG 18 -7.998 1.566 -1.390 156 HG2 ARG 18 2HG ARG 18 -7.503 3.525 -2.551 157 HG3 ARG 18 1HG ARG 18 -9.087 3.901 -1.874 158 HD2 ARG 18 2HD ARG 18 -8.187 5.303 -0.208 159 HD3 ARG 18 1HD ARG 18 -6.572 4.579 -0.345 160 HE ARG 18 HE ARG 18 -6.454 5.620 -2.641 161 HH11 ARG 18 1HH2 ARG 18 -9.427 6.411 -2.554 162 HH12 ARG 18 2HH2 ARG 18 -9.295 8.116 -2.285 163 HH21 ARG 18 1HH1 ARG 18 -5.967 7.974 -1.320 164 HH22 ARG 18 2HH1 ARG 18 -7.336 9.002 -1.586 165 H LEU 19 H LEU 19 -10.014 1.008 -1.687 166 HA LEU 19 HA LEU 19 -11.942 2.635 -2.916 167 HB2 LEU 19 2HB LEU 19 -12.785 0.390 -3.765 168 HB3 LEU 19 1HB LEU 19 -11.058 0.676 -3.980 169 HG LEU 19 HG LEU 19 -11.099 -0.449 -1.485 170 HD11 LEU 19 1HD1 LEU 19 -12.932 -2.273 -2.959 171 HD12 LEU 19 2HD1 LEU 19 -13.663 -0.847 -2.221 172 HD13 LEU 19 3HD1 LEU 19 -12.774 -1.998 -1.225 173 HD21 LEU 19 3HD2 LEU 19 -10.208 -1.088 -4.089 174 HD22 LEU 19 1HD2 LEU 19 -11.021 -2.534 -3.489 175 HD23 LEU 19 2HD2 LEU 19 -9.687 -1.828 -2.576 176 H VAL 20 H VAL 20 -12.542 0.050 -0.479 177 HA VAL 20 HA VAL 20 -15.333 0.740 -0.306 178 HB VAL 20 HB VAL 20 -14.502 -1.557 -0.146 179 HG11 VAL 20 1HG1 VAL 20 -12.380 -0.699 1.153 180 HG12 VAL 20 2HG1 VAL 20 -13.034 -2.292 1.524 181 HG13 VAL 20 3HG1 VAL 20 -13.392 -0.925 2.577 182 HG21 VAL 20 3HG2 VAL 20 -15.840 -0.350 2.270 183 HG22 VAL 20 1HG2 VAL 20 -15.595 -2.090 2.120 184 HG23 VAL 20 2HG2 VAL 20 -16.582 -1.235 0.936 185 H THR 21 H THR 21 -12.630 0.959 1.970 186 HA THR 21 HA THR 21 -14.281 2.767 3.626 187 HB THR 21 HB THR 21 -12.149 1.936 5.159 188 HG1 THR 21 1HG THR 21 -11.577 0.536 3.416 189 HG21 THR 21 3HG2 THR 21 -13.790 0.348 6.152 190 HG22 THR 21 1HG2 THR 21 -14.848 0.618 4.766 191 HG23 THR 21 2HG2 THR 21 -14.484 1.944 5.871 192 H GLY 22 H GLY 22 -12.376 3.317 1.255 193 HA2 GLY 22 1HA GLY 22 -9.983 4.491 1.860 194 HA3 GLY 22 2HA GLY 22 -11.099 5.235 0.719 Start of MODEL 17 1 H1 PHE 1 1HT PHE 1 13.501 -1.923 -0.177 2 H2 PHE 1 2HT PHE 1 13.380 -1.190 -1.704 3 H3 PHE 1 3HT PHE 1 14.131 -0.367 -0.421 4 HA PHE 1 HA PHE 1 15.196 -2.431 -2.178 5 HB2 PHE 1 2HB PHE 1 15.647 0.169 -1.732 6 HB3 PHE 1 1HB PHE 1 16.724 -0.485 -0.497 7 HD1 PHE 1 2HD PHE 1 15.791 -1.224 -4.064 8 HD2 PHE 1 1HD PHE 1 18.922 -0.866 -1.144 9 HE1 PHE 1 2HE PHE 1 17.477 -1.745 -5.807 10 HE2 PHE 1 1HE PHE 1 20.607 -1.386 -2.887 11 HZ PHE 1 HZ PHE 1 19.885 -1.825 -5.218 12 H PHE 2 H PHE 2 14.037 -3.697 0.055 13 HA PHE 2 HA PHE 2 16.400 -4.331 1.790 14 HB2 PHE 2 2HB PHE 2 13.878 -3.449 2.444 15 HB3 PHE 2 1HB PHE 2 13.700 -5.195 2.609 16 HD1 PHE 2 2HD PHE 2 16.601 -5.806 3.334 17 HD2 PHE 2 1HD PHE 2 13.841 -2.844 4.770 18 HE1 PHE 2 2HE PHE 2 17.811 -5.727 5.497 19 HE2 PHE 2 1HE PHE 2 15.051 -2.765 6.934 20 HZ PHE 2 HZ PHE 2 17.036 -4.207 7.296 21 H HIS 3 H HIS 3 17.339 -6.218 1.084 22 HA HIS 3 HA HIS 3 17.538 -8.430 0.272 23 HB2 HIS 3 2HB HIS 3 15.087 -8.245 1.964 24 HB3 HIS 3 1HB HIS 3 15.296 -9.722 1.022 25 HD1 HIS 3 1HD HIS 3 15.564 -10.572 3.696 26 HD2 HIS 3 2HD HIS 3 18.757 -8.538 1.950 27 HE1 HIS 3 1HE HIS 3 17.607 -11.113 5.092 28 H HIS 4 H HIS 4 14.036 -8.493 -0.037 29 HA HIS 4 HA HIS 4 14.325 -8.319 -3.020 30 HB2 HIS 4 2HB HIS 4 13.712 -10.541 -1.400 31 HB3 HIS 4 1HB HIS 4 12.175 -10.044 -2.109 32 HD1 HIS 4 1HD HIS 4 13.753 -8.877 -4.735 33 HD2 HIS 4 2HD HIS 4 13.841 -12.765 -3.234 34 HE1 HIS 4 1HE HIS 4 14.420 -10.375 -6.666 35 H ILE 5 H ILE 5 11.429 -8.787 -3.311 36 HA ILE 5 HA ILE 5 10.366 -6.259 -3.481 37 HB ILE 5 HB ILE 5 8.227 -7.442 -3.460 38 HG12 ILE 5 2HG1 ILE 5 8.657 -10.053 -2.893 39 HG13 ILE 5 1HG1 ILE 5 9.792 -9.308 -1.767 40 HG21 ILE 5 1HG2 ILE 5 10.481 -8.132 -5.004 41 HG22 ILE 5 2HG2 ILE 5 8.787 -8.374 -5.428 42 HG23 ILE 5 3HG2 ILE 5 9.681 -9.651 -4.605 43 HD11 ILE 5 3HD1 ILE 5 8.064 -8.885 -0.391 44 HD12 ILE 5 1HD1 ILE 5 6.913 -9.461 -1.597 45 HD13 ILE 5 2HD1 ILE 5 7.429 -7.774 -1.605 46 H PHE 6 H PHE 6 8.764 -5.136 -2.081 47 HA PHE 6 HA PHE 6 8.663 -5.861 0.775 48 HB2 PHE 6 2HB PHE 6 10.834 -4.475 -0.081 49 HB3 PHE 6 1HB PHE 6 9.731 -3.137 0.244 50 HD1 PHE 6 2HD PHE 6 10.418 -6.454 1.876 51 HD2 PHE 6 1HD PHE 6 10.079 -2.196 2.340 52 HE1 PHE 6 2HE PHE 6 10.850 -6.683 4.306 53 HE2 PHE 6 1HE PHE 6 10.513 -2.426 4.771 54 HZ PHE 6 HZ PHE 6 10.899 -4.670 5.754 55 H ARG 7 H ARG 7 8.017 -3.420 -1.734 56 HA ARG 7 HA ARG 7 5.776 -2.281 -0.194 57 HB2 ARG 7 2HB ARG 7 5.738 -0.679 -2.034 58 HB3 ARG 7 1HB ARG 7 7.405 -0.939 -1.522 59 HG2 ARG 7 2HG ARG 7 7.988 -1.904 -3.495 60 HG3 ARG 7 1HG ARG 7 6.479 -2.809 -3.600 61 HD2 ARG 7 2HD ARG 7 5.686 -0.148 -3.934 62 HD3 ARG 7 1HD ARG 7 7.183 -0.290 -4.880 63 HE ARG 7 HE ARG 7 5.258 -2.511 -5.172 64 HH11 ARG 7 1HH1 ARG 7 7.551 -1.291 -6.983 65 HH12 ARG 7 2HH1 ARG 7 6.589 -0.774 -8.327 66 HH21 ARG 7 1HH2 ARG 7 3.578 -1.099 -6.638 67 HH22 ARG 7 2HH2 ARG 7 4.340 -0.666 -8.132 68 HA PRO 8 HA PRO 8 3.486 -4.380 -3.736 69 HB2 PRO 8 2HB PRO 8 4.380 -6.799 -4.609 70 HB3 PRO 8 1HB PRO 8 4.847 -5.260 -5.362 71 HG2 PRO 8 2HG PRO 8 6.410 -7.065 -3.675 72 HG3 PRO 8 1HG PRO 8 6.941 -5.835 -4.826 73 HD2 PRO 8 2HD PRO 8 6.853 -5.640 -1.991 74 HD3 PRO 8 1HD PRO 8 7.325 -4.391 -3.157 75 H ILE 9 H ILE 9 4.463 -5.356 -0.798 76 HA ILE 9 HA ILE 9 2.452 -7.580 -0.646 77 HB ILE 9 HB ILE 9 4.966 -7.064 0.976 78 HG12 ILE 9 2HG1 ILE 9 5.595 -7.784 -1.224 79 HG13 ILE 9 1HG1 ILE 9 5.682 -9.215 -0.196 80 HG21 ILE 9 1HG2 ILE 9 2.652 -8.833 1.333 81 HG22 ILE 9 2HG2 ILE 9 3.911 -8.385 2.484 82 HG23 ILE 9 3HG2 ILE 9 4.191 -9.695 1.335 83 HD11 ILE 9 3HD1 ILE 9 3.842 -8.609 -2.426 84 HD12 ILE 9 1HD1 ILE 9 3.074 -9.313 -1.003 85 HD13 ILE 9 2HD1 ILE 9 4.389 -10.169 -1.809 86 H VAL 10 H VAL 10 2.825 -4.395 0.072 87 HA VAL 10 HA VAL 10 1.231 -4.623 2.561 88 HB VAL 10 HB VAL 10 3.310 -2.580 1.746 89 HG11 VAL 10 1HG1 VAL 10 1.141 -2.095 3.333 90 HG12 VAL 10 2HG1 VAL 10 2.697 -1.287 3.524 91 HG13 VAL 10 3HG1 VAL 10 2.299 -2.682 4.527 92 HG21 VAL 10 3HG2 VAL 10 3.565 -4.196 4.220 93 HG22 VAL 10 1HG2 VAL 10 4.800 -3.721 3.054 94 HG23 VAL 10 2HG2 VAL 10 3.738 -5.088 2.708 95 H HIS 11 H HIS 11 2.001 -2.374 -0.117 96 HA HIS 11 HA HIS 11 -0.038 -0.535 0.070 97 HB2 HIS 11 2HB HIS 11 1.833 -1.019 -1.714 98 HB3 HIS 11 1HB HIS 11 0.533 -1.852 -2.568 99 HD1 HIS 11 1HD HIS 11 -0.918 -0.404 -3.991 100 HD2 HIS 11 2HD HIS 11 1.019 1.804 -1.032 101 HE1 HIS 11 1HE HIS 11 -1.519 2.023 -4.399 102 H VAL 12 H VAL 12 -0.356 -3.896 -0.730 103 HA VAL 12 HA VAL 12 -2.882 -3.976 -1.992 104 HB VAL 12 HB VAL 12 -1.832 -5.902 0.100 105 HG11 VAL 12 1HG1 VAL 12 -3.740 -6.950 -0.546 106 HG12 VAL 12 2HG1 VAL 12 -2.848 -7.333 -2.018 107 HG13 VAL 12 3HG1 VAL 12 -3.921 -5.934 -1.976 108 HG21 VAL 12 3HG2 VAL 12 -0.903 -6.903 -2.227 109 HG22 VAL 12 1HG2 VAL 12 0.052 -5.820 -1.214 110 HG23 VAL 12 2HG2 VAL 12 -0.823 -5.183 -2.608 111 H GLY 13 H GLY 13 -2.281 -4.516 1.508 112 HA2 GLY 13 2HA GLY 13 -4.970 -4.396 2.300 113 HA3 GLY 13 1HA GLY 13 -3.620 -4.035 3.366 114 H LYS 14 H LYS 14 -2.791 -1.859 1.460 115 HA LYS 14 HA LYS 14 -4.293 0.274 2.711 116 HB2 LYS 14 2HB LYS 14 -1.978 -0.005 0.826 117 HB3 LYS 14 1HB LYS 14 -2.710 1.582 1.072 118 HG2 LYS 14 2HG LYS 14 -1.042 1.525 2.723 119 HG3 LYS 14 1HG LYS 14 -2.484 1.029 3.611 120 HD2 LYS 14 2HD LYS 14 -1.089 -1.196 2.296 121 HD3 LYS 14 1HD LYS 14 -0.122 -0.388 3.530 122 HE2 LYS 14 2HE LYS 14 -1.533 -1.032 5.245 123 HE3 LYS 14 1HE LYS 14 -2.971 -1.014 4.204 124 HZ1 LYS 14 3HZ LYS 14 -0.774 -3.013 4.202 125 HZ2 LYS 14 1HZ LYS 14 -1.955 -2.922 2.989 126 HZ3 LYS 14 2HZ LYS 14 -2.407 -3.282 4.586 127 H THR 15 H THR 15 -4.369 -1.380 -0.369 128 HA THR 15 HA THR 15 -5.961 0.713 -1.684 129 HB THR 15 HB THR 15 -6.025 -1.188 -3.448 130 HG1 THR 15 1HG THR 15 -4.506 -2.795 -3.069 131 HG21 THR 15 3HG2 THR 15 -4.202 0.803 -2.881 132 HG22 THR 15 1HG2 THR 15 -4.202 -0.186 -4.340 133 HG23 THR 15 2HG2 THR 15 -3.184 -0.633 -2.973 134 H ILE 16 H ILE 16 -6.465 -2.646 -0.717 135 HA ILE 16 HA ILE 16 -9.133 -3.004 -1.364 136 HB ILE 16 HB ILE 16 -9.093 -4.429 0.837 137 HG12 ILE 16 2HG1 ILE 16 -6.234 -4.553 0.882 138 HG13 ILE 16 1HG1 ILE 16 -6.703 -2.875 1.143 139 HG21 ILE 16 1HG2 ILE 16 -8.807 -5.601 -1.167 140 HG22 ILE 16 2HG2 ILE 16 -7.296 -5.938 -0.321 141 HG23 ILE 16 3HG2 ILE 16 -7.342 -4.714 -1.591 142 HD11 ILE 16 3HD1 ILE 16 -7.003 -5.177 2.915 143 HD12 ILE 16 1HD1 ILE 16 -8.520 -4.305 2.688 144 HD13 ILE 16 2HD1 ILE 16 -7.096 -3.456 3.289 145 H HIS 17 H HIS 17 -8.115 -1.979 1.932 146 HA HIS 17 HA HIS 17 -10.676 -1.169 2.762 147 HB2 HIS 17 2HB HIS 17 -9.534 -0.574 4.686 148 HB3 HIS 17 1HB HIS 17 -8.343 -1.622 3.934 149 HD1 HIS 17 1HD HIS 17 -6.554 -0.255 2.322 150 HD2 HIS 17 2HD HIS 17 -8.576 1.956 5.222 151 HE1 HIS 17 1HE HIS 17 -5.240 1.891 2.636 152 H ARG 18 H ARG 18 -8.328 0.436 0.803 153 HA ARG 18 HA ARG 18 -9.265 3.121 1.168 154 HB2 ARG 18 2HB ARG 18 -7.038 2.744 0.405 155 HB3 ARG 18 1HB ARG 18 -7.596 1.687 -0.889 156 HG2 ARG 18 2HG ARG 18 -7.642 3.474 -2.252 157 HG3 ARG 18 1HG ARG 18 -8.941 4.140 -1.263 158 HD2 ARG 18 2HD ARG 18 -7.302 5.230 0.210 159 HD3 ARG 18 1HD ARG 18 -5.973 4.528 -0.734 160 HE ARG 18 HE ARG 18 -7.697 5.843 -2.559 161 HH11 ARG 18 1HH1 ARG 18 -6.421 6.950 0.382 162 HH12 ARG 18 2HH1 ARG 18 -5.663 8.354 -0.292 163 HH21 ARG 18 1HH2 ARG 18 -6.372 7.489 -3.573 164 HH22 ARG 18 2HH2 ARG 18 -5.635 8.660 -2.531 165 H LEU 19 H LEU 19 -9.867 0.631 -1.234 166 HA LEU 19 HA LEU 19 -11.464 2.098 -3.036 167 HB2 LEU 19 2HB LEU 19 -10.503 -0.459 -2.763 168 HB3 LEU 19 1HB LEU 19 -12.236 -0.703 -2.544 169 HG LEU 19 HG LEU 19 -12.359 0.924 -4.655 170 HD11 LEU 19 1HD1 LEU 19 -10.406 1.247 -5.727 171 HD12 LEU 19 2HD1 LEU 19 -10.125 -0.492 -5.800 172 HD13 LEU 19 3HD1 LEU 19 -9.579 0.431 -4.400 173 HD21 LEU 19 3HD2 LEU 19 -11.572 -1.750 -5.559 174 HD22 LEU 19 1HD2 LEU 19 -13.140 -0.949 -5.662 175 HD23 LEU 19 2HD2 LEU 19 -12.679 -1.798 -4.187 176 H VAL 20 H VAL 20 -12.654 -0.150 -0.505 177 HA VAL 20 HA VAL 20 -15.363 0.420 -0.640 178 HB VAL 20 HB VAL 20 -14.451 -1.355 0.697 179 HG11 VAL 20 1HG1 VAL 20 -13.211 -0.630 2.863 180 HG12 VAL 20 2HG1 VAL 20 -12.979 0.910 2.036 181 HG13 VAL 20 3HG1 VAL 20 -12.321 -0.571 1.341 182 HG21 VAL 20 3HG2 VAL 20 -15.453 -0.801 2.968 183 HG22 VAL 20 1HG2 VAL 20 -16.529 -0.562 1.591 184 HG23 VAL 20 2HG2 VAL 20 -15.743 0.824 2.347 185 H THR 21 H THR 21 -12.822 2.382 0.641 186 HA THR 21 HA THR 21 -14.777 4.286 1.778 187 HB THR 21 HB THR 21 -12.871 3.280 3.143 188 HG1 THR 21 1HG THR 21 -13.159 6.063 2.759 189 HG21 THR 21 3HG2 THR 21 -11.298 5.047 1.254 190 HG22 THR 21 1HG2 THR 21 -11.124 3.306 1.475 191 HG23 THR 21 2HG2 THR 21 -10.654 4.410 2.768 192 H GLY 22 H GLY 22 -13.277 3.762 -1.072 193 HA2 GLY 22 1HA GLY 22 -11.857 5.983 -1.870 194 HA3 GLY 22 2HA GLY 22 -13.026 5.197 -2.929 Start of MODEL 18 1 H1 PHE 1 1HT PHE 1 13.953 -0.904 -0.361 2 H2 PHE 1 2HT PHE 1 12.386 -1.525 -0.578 3 H3 PHE 1 3HT PHE 1 12.744 -0.565 0.778 4 HA PHE 1 HA PHE 1 11.511 0.492 -1.241 5 HB2 PHE 1 2HB PHE 1 12.461 2.587 -0.473 6 HB3 PHE 1 1HB PHE 1 12.403 1.489 0.906 7 HD1 PHE 1 2HD PHE 1 14.563 -0.039 1.199 8 HD2 PHE 1 1HD PHE 1 14.462 3.696 -0.919 9 HE1 PHE 1 2HE PHE 1 17.014 0.190 1.488 10 HE2 PHE 1 1HE PHE 1 16.914 3.926 -0.630 11 HZ PHE 1 HZ PHE 1 18.190 2.174 0.574 12 H PHE 2 H PHE 2 13.417 -1.354 -2.515 13 HA PHE 2 HA PHE 2 14.028 0.091 -4.895 14 HB2 PHE 2 2HB PHE 2 15.753 0.592 -2.698 15 HB3 PHE 2 1HB PHE 2 16.666 -0.400 -3.836 16 HD1 PHE 2 2HD PHE 2 15.686 0.368 -6.439 17 HD2 PHE 2 1HD PHE 2 16.388 2.827 -2.989 18 HE1 PHE 2 2HE PHE 2 16.000 2.341 -7.909 19 HE2 PHE 2 1HE PHE 2 16.701 4.800 -4.458 20 HZ PHE 2 HZ PHE 2 16.508 4.557 -6.919 21 H HIS 3 H HIS 3 15.053 -2.541 -2.732 22 HA HIS 3 HA HIS 3 15.974 -4.202 -4.986 23 HB2 HIS 3 2HB HIS 3 15.652 -4.693 -2.007 24 HB3 HIS 3 1HB HIS 3 16.481 -5.777 -3.124 25 HD1 HIS 3 1HD HIS 3 18.450 -5.016 -1.227 26 HD2 HIS 3 2HD HIS 3 17.405 -2.298 -4.210 27 HE1 HIS 3 1HE HIS 3 20.352 -3.349 -1.377 28 H HIS 4 H HIS 4 14.754 -6.502 -3.148 29 HA HIS 4 HA HIS 4 12.787 -7.523 -4.765 30 HB2 HIS 4 2HB HIS 4 12.711 -7.420 -1.732 31 HB3 HIS 4 1HB HIS 4 11.986 -8.662 -2.750 32 HD1 HIS 4 1HD HIS 4 13.690 -10.173 -4.153 33 HD2 HIS 4 2HD HIS 4 15.435 -7.791 -1.209 34 HE1 HIS 4 1HE HIS 4 16.027 -11.077 -3.791 35 H ILE 5 H ILE 5 11.196 -6.260 -5.699 36 HA ILE 5 HA ILE 5 9.918 -3.976 -5.008 37 HB ILE 5 HB ILE 5 9.537 -5.750 -6.862 38 HG12 ILE 5 2HG1 ILE 5 7.208 -4.742 -7.233 39 HG13 ILE 5 1HG1 ILE 5 7.478 -3.891 -5.713 40 HG21 ILE 5 1HG2 ILE 5 7.211 -6.406 -5.041 41 HG22 ILE 5 2HG2 ILE 5 8.624 -7.444 -5.227 42 HG23 ILE 5 3HG2 ILE 5 7.574 -7.129 -6.607 43 HD11 ILE 5 3HD1 ILE 5 8.158 -2.606 -7.791 44 HD12 ILE 5 1HD1 ILE 5 9.438 -3.800 -8.009 45 HD13 ILE 5 2HD1 ILE 5 9.418 -2.782 -6.569 46 H PHE 6 H PHE 6 8.841 -3.204 -3.301 47 HA PHE 6 HA PHE 6 7.621 -5.141 -1.357 48 HB2 PHE 6 2HB PHE 6 8.657 -2.347 -0.811 49 HB3 PHE 6 1HB PHE 6 8.287 -3.603 0.368 50 HD1 PHE 6 2HD PHE 6 9.751 -5.598 0.585 51 HD2 PHE 6 1HD PHE 6 10.742 -2.334 -2.027 52 HE1 PHE 6 2HE PHE 6 12.091 -6.409 0.459 53 HE2 PHE 6 1HE PHE 6 13.083 -3.143 -2.149 54 HZ PHE 6 HZ PHE 6 13.758 -5.180 -0.907 55 H ARG 7 H ARG 7 7.353 -1.832 -2.669 56 HA ARG 7 HA ARG 7 5.025 -0.851 -1.629 57 HB2 ARG 7 2HB ARG 7 6.057 0.476 -3.226 58 HB3 ARG 7 1HB ARG 7 6.313 -0.872 -4.329 59 HG2 ARG 7 2HG ARG 7 3.820 -0.891 -4.745 60 HG3 ARG 7 1HG ARG 7 3.721 0.607 -3.818 61 HD2 ARG 7 2HD ARG 7 3.905 1.258 -6.132 62 HD3 ARG 7 1HD ARG 7 5.509 1.534 -5.422 63 HE ARG 7 HE ARG 7 6.061 -0.829 -6.285 64 HH11 ARG 7 1HH1 ARG 7 3.088 -0.839 -7.348 65 HH12 ARG 7 2HH1 ARG 7 3.399 -0.687 -9.045 66 HH21 ARG 7 1HH2 ARG 7 6.713 0.243 -8.624 67 HH22 ARG 7 2HH2 ARG 7 5.451 -0.076 -9.767 68 HA PRO 8 HA PRO 8 2.355 -3.595 -4.397 69 HB2 PRO 8 2HB PRO 8 3.522 -5.658 -5.769 70 HB3 PRO 8 1HB PRO 8 3.324 -4.020 -6.425 71 HG2 PRO 8 2HG PRO 8 5.708 -5.329 -5.246 72 HG3 PRO 8 1HG PRO 8 5.574 -4.201 -6.600 73 HD2 PRO 8 2HD PRO 8 6.416 -3.463 -4.129 74 HD3 PRO 8 1HD PRO 8 5.607 -2.360 -5.261 75 H ILE 9 H ILE 9 3.970 -4.343 -1.816 76 HA ILE 9 HA ILE 9 2.774 -7.076 -1.542 77 HB ILE 9 HB ILE 9 5.461 -5.944 -0.883 78 HG12 ILE 9 2HG1 ILE 9 5.501 -8.736 -1.230 79 HG13 ILE 9 1HG1 ILE 9 4.285 -8.143 -2.362 80 HG21 ILE 9 1HG2 ILE 9 5.823 -7.732 0.818 81 HG22 ILE 9 2HG2 ILE 9 4.100 -8.104 0.758 82 HG23 ILE 9 3HG2 ILE 9 4.642 -6.533 1.346 83 HD11 ILE 9 3HD1 ILE 9 6.130 -7.808 -3.683 84 HD12 ILE 9 1HD1 ILE 9 7.217 -7.656 -2.303 85 HD13 ILE 9 2HD1 ILE 9 6.203 -6.295 -2.780 86 H VAL 10 H VAL 10 2.772 -3.884 -0.468 87 HA VAL 10 HA VAL 10 1.446 -4.666 2.063 88 HB VAL 10 HB VAL 10 3.275 -2.344 1.426 89 HG11 VAL 10 1HG1 VAL 10 2.996 -1.912 3.939 90 HG12 VAL 10 2HG1 VAL 10 1.579 -2.960 3.853 91 HG13 VAL 10 3HG1 VAL 10 1.632 -1.467 2.914 92 HG21 VAL 10 3HG2 VAL 10 4.878 -3.438 2.702 93 HG22 VAL 10 1HG2 VAL 10 4.051 -4.820 1.982 94 HG23 VAL 10 2HG2 VAL 10 3.676 -4.329 3.635 95 H HIS 11 H HIS 11 1.578 -2.369 -0.629 96 HA HIS 11 HA HIS 11 -0.523 -0.631 0.089 97 HB2 HIS 11 2HB HIS 11 0.745 -1.635 -2.416 98 HB3 HIS 11 1HB HIS 11 -0.777 -0.759 -2.584 99 HD1 HIS 11 1HD HIS 11 -0.819 1.735 -1.756 100 HD2 HIS 11 2HD HIS 11 2.950 -0.043 -1.649 101 HE1 HIS 11 1HE HIS 11 0.850 3.614 -1.445 102 H VAL 12 H VAL 12 -0.638 -3.957 -0.728 103 HA VAL 12 HA VAL 12 -3.215 -4.251 -1.865 104 HB VAL 12 HB VAL 12 -1.423 -5.981 -1.590 105 HG11 VAL 12 1HG1 VAL 12 -2.430 -6.209 1.252 106 HG12 VAL 12 2HG1 VAL 12 -0.975 -5.309 0.826 107 HG13 VAL 12 3HG1 VAL 12 -1.059 -7.044 0.522 108 HG21 VAL 12 3HG2 VAL 12 -4.062 -6.779 -0.326 109 HG22 VAL 12 1HG2 VAL 12 -2.945 -7.836 -1.190 110 HG23 VAL 12 2HG2 VAL 12 -3.818 -6.575 -2.061 111 H GLY 13 H GLY 13 -2.245 -4.151 1.579 112 HA2 GLY 13 2HA GLY 13 -4.961 -4.411 2.503 113 HA3 GLY 13 1HA GLY 13 -3.578 -4.027 3.511 114 H LYS 14 H LYS 14 -2.775 -1.789 1.847 115 HA LYS 14 HA LYS 14 -4.439 0.257 3.039 116 HB2 LYS 14 2HB LYS 14 -2.001 0.184 1.266 117 HB3 LYS 14 1HB LYS 14 -2.755 1.709 1.736 118 HG2 LYS 14 2HG LYS 14 -1.178 1.433 3.434 119 HG3 LYS 14 1HG LYS 14 -2.609 0.704 4.163 120 HD2 LYS 14 2HD LYS 14 -1.130 -1.203 2.529 121 HD3 LYS 14 1HD LYS 14 -0.136 -0.536 3.824 122 HE2 LYS 14 2HE LYS 14 -1.464 -1.445 5.497 123 HE3 LYS 14 1HE LYS 14 -2.927 -1.415 4.491 124 HZ1 LYS 14 3HZ LYS 14 -2.133 -3.667 4.635 125 HZ2 LYS 14 1HZ LYS 14 -0.578 -3.202 4.147 126 HZ3 LYS 14 2HZ LYS 14 -1.874 -3.100 3.055 127 H THR 15 H THR 15 -4.340 -1.399 0.012 128 HA THR 15 HA THR 15 -5.759 0.735 -1.451 129 HB THR 15 HB THR 15 -5.655 -1.081 -3.252 130 HG1 THR 15 1HG THR 15 -5.347 -2.940 -2.280 131 HG21 THR 15 3HG2 THR 15 -3.958 0.430 -3.579 132 HG22 THR 15 1HG2 THR 15 -2.974 -0.957 -3.111 133 HG23 THR 15 2HG2 THR 15 -3.370 0.284 -1.923 134 H ILE 16 H ILE 16 -6.361 -2.621 -0.531 135 HA ILE 16 HA ILE 16 -8.981 -2.946 -1.388 136 HB ILE 16 HB ILE 16 -9.124 -4.484 0.666 137 HG12 ILE 16 2HG1 ILE 16 -6.458 -4.645 1.379 138 HG13 ILE 16 1HG1 ILE 16 -6.719 -2.904 1.287 139 HG21 ILE 16 1HG2 ILE 16 -8.411 -5.497 -1.334 140 HG22 ILE 16 2HG2 ILE 16 -7.098 -5.855 -0.213 141 HG23 ILE 16 3HG2 ILE 16 -6.923 -4.554 -1.390 142 HD11 ILE 16 3HD1 ILE 16 -8.882 -3.386 2.651 143 HD12 ILE 16 1HD1 ILE 16 -7.335 -3.410 3.498 144 HD13 ILE 16 2HD1 ILE 16 -8.109 -4.925 3.031 145 H HIS 17 H HIS 17 -8.030 -1.733 1.864 146 HA HIS 17 HA HIS 17 -10.691 -1.033 2.599 147 HB2 HIS 17 2HB HIS 17 -9.666 -0.507 4.603 148 HB3 HIS 17 1HB HIS 17 -8.421 -1.522 3.893 149 HD1 HIS 17 1HD HIS 17 -6.544 -0.111 2.455 150 HD2 HIS 17 2HD HIS 17 -8.772 2.025 5.255 151 HE1 HIS 17 1HE HIS 17 -5.273 2.038 2.893 152 H ARG 18 H ARG 18 -8.274 0.551 0.738 153 HA ARG 18 HA ARG 18 -9.119 3.256 1.142 154 HB2 ARG 18 2HB ARG 18 -6.919 2.881 0.358 155 HB3 ARG 18 1HB ARG 18 -7.478 1.769 -0.890 156 HG2 ARG 18 2HG ARG 18 -6.915 3.857 -1.966 157 HG3 ARG 18 1HG ARG 18 -8.672 3.709 -1.972 158 HD2 ARG 18 2HD ARG 18 -8.730 5.751 -0.979 159 HD3 ARG 18 1HD ARG 18 -8.062 4.972 0.469 160 HE ARG 18 HE ARG 18 -5.851 5.647 -0.222 161 HH11 ARG 18 1HH2 ARG 18 -7.367 5.539 -3.137 162 HH12 ARG 18 2HH2 ARG 18 -6.836 7.085 -3.708 163 HH21 ARG 18 1HH1 ARG 18 -5.582 8.084 -0.633 164 HH22 ARG 18 2HH1 ARG 18 -5.826 8.528 -2.289 165 H LEU 19 H LEU 19 -9.808 0.841 -1.313 166 HA LEU 19 HA LEU 19 -11.497 2.516 -2.918 167 HB2 LEU 19 2HB LEU 19 -11.200 -0.489 -2.667 168 HB3 LEU 19 1HB LEU 19 -12.043 0.328 -3.985 169 HG LEU 19 HG LEU 19 -9.292 1.285 -3.411 170 HD11 LEU 19 1HD1 LEU 19 -8.530 -0.881 -3.329 171 HD12 LEU 19 2HD1 LEU 19 -8.662 -0.735 -5.082 172 HD13 LEU 19 3HD1 LEU 19 -9.946 -1.521 -4.163 173 HD21 LEU 19 3HD2 LEU 19 -10.272 2.299 -5.276 174 HD22 LEU 19 1HD2 LEU 19 -11.096 0.820 -5.771 175 HD23 LEU 19 2HD2 LEU 19 -9.360 0.991 -6.027 176 H VAL 20 H VAL 20 -12.320 -0.285 -0.829 177 HA VAL 20 HA VAL 20 -15.072 -0.140 -0.862 178 HB VAL 20 HB VAL 20 -13.803 -1.870 0.259 179 HG11 VAL 20 1HG1 VAL 20 -13.028 0.260 2.274 180 HG12 VAL 20 2HG1 VAL 20 -11.962 -0.340 1.004 181 HG13 VAL 20 3HG1 VAL 20 -12.516 -1.428 2.277 182 HG21 VAL 20 3HG2 VAL 20 -15.948 -1.771 1.204 183 HG22 VAL 20 1HG2 VAL 20 -15.640 -0.212 1.966 184 HG23 VAL 20 2HG2 VAL 20 -14.897 -1.672 2.616 185 H THR 21 H THR 21 -12.870 2.063 0.639 186 HA THR 21 HA THR 21 -15.098 3.474 1.973 187 HB THR 21 HB THR 21 -13.027 2.630 3.219 188 HG1 THR 21 1HG THR 21 -13.342 4.225 4.565 189 HG21 THR 21 3HG2 THR 21 -10.987 3.895 2.987 190 HG22 THR 21 1HG2 THR 21 -11.753 5.017 1.862 191 HG23 THR 21 2HG2 THR 21 -11.460 3.347 1.379 192 H GLY 22 H GLY 22 -13.740 3.528 -0.931 193 HA2 GLY 22 1HA GLY 22 -12.586 5.946 -1.535 194 HA3 GLY 22 2HA GLY 22 -13.780 5.201 -2.596 Start of MODEL 19 1 H1 PHE 1 1HT PHE 1 15.027 -4.606 3.525 2 H2 PHE 1 2HT PHE 1 14.206 -5.182 2.153 3 H3 PHE 1 3HT PHE 1 15.609 -4.239 1.975 4 HA PHE 1 HA PHE 1 16.325 -6.434 1.584 5 HB2 PHE 1 2HB PHE 1 17.172 -4.803 3.681 6 HB3 PHE 1 1HB PHE 1 17.061 -6.403 4.414 7 HD1 PHE 1 2HD PHE 1 17.997 -5.208 0.980 8 HD2 PHE 1 1HD PHE 1 19.162 -7.413 4.478 9 HE1 PHE 1 2HE PHE 1 20.109 -5.869 -0.140 10 HE2 PHE 1 1HE PHE 1 21.273 -8.074 3.357 11 HZ PHE 1 HZ PHE 1 21.746 -7.302 1.048 12 H PHE 2 H PHE 2 14.177 -6.178 4.392 13 HA PHE 2 HA PHE 2 14.079 -8.779 5.367 14 HB2 PHE 2 2HB PHE 2 12.539 -6.424 5.436 15 HB3 PHE 2 1HB PHE 2 11.415 -7.695 4.952 16 HD1 PHE 2 1HD PHE 2 12.900 -9.998 6.341 17 HD2 PHE 2 2HD PHE 2 11.713 -6.092 7.679 18 HE1 PHE 2 1HE PHE 2 12.823 -10.822 8.679 19 HE2 PHE 2 2HE PHE 2 11.636 -6.916 10.016 20 HZ PHE 2 HZ PHE 2 12.191 -9.281 10.517 21 H HIS 3 H HIS 3 13.784 -10.710 4.326 22 HA HIS 3 HA HIS 3 13.069 -12.275 2.703 23 HB2 HIS 3 2HB HIS 3 10.859 -10.315 3.150 24 HB3 HIS 3 1HB HIS 3 10.681 -11.443 1.805 25 HD1 HIS 3 1HD HIS 3 9.062 -13.129 2.747 26 HD2 HIS 3 2HD HIS 3 12.214 -12.349 5.359 27 HE1 HIS 3 1HE HIS 3 8.842 -14.788 4.648 28 H HIS 4 H HIS 4 11.393 -9.667 1.058 29 HA HIS 4 HA HIS 4 13.484 -8.896 -0.759 30 HB2 HIS 4 2HB HIS 4 13.387 -11.233 -1.413 31 HB3 HIS 4 1HB HIS 4 11.632 -11.158 -1.570 32 HD1 HIS 4 1HD HIS 4 12.637 -12.014 -4.105 33 HD2 HIS 4 2HD HIS 4 12.857 -7.973 -3.107 34 HE1 HIS 4 1HE HIS 4 12.902 -10.751 -6.285 35 H ILE 5 H ILE 5 10.365 -9.849 -2.035 36 HA ILE 5 HA ILE 5 9.579 -7.534 -3.226 37 HB ILE 5 HB ILE 5 7.192 -8.398 -2.339 38 HG12 ILE 5 2HG1 ILE 5 7.181 -10.715 -1.777 39 HG13 ILE 5 1HG1 ILE 5 8.888 -10.894 -2.153 40 HG21 ILE 5 1HG2 ILE 5 7.558 -10.250 -4.179 41 HG22 ILE 5 2HG2 ILE 5 9.083 -9.396 -4.418 42 HG23 ILE 5 3HG2 ILE 5 7.552 -8.542 -4.612 43 HD11 ILE 5 3HD1 ILE 5 9.013 -8.993 -0.204 44 HD12 ILE 5 1HD1 ILE 5 9.123 -10.722 0.112 45 HD13 ILE 5 2HD1 ILE 5 7.584 -9.884 0.308 46 H PHE 6 H PHE 6 7.390 -7.938 -0.606 47 HA PHE 6 HA PHE 6 6.872 -6.584 1.272 48 HB2 PHE 6 2HB PHE 6 9.553 -6.467 1.146 49 HB3 PHE 6 1HB PHE 6 9.195 -4.791 0.730 50 HD1 PHE 6 2HD PHE 6 7.362 -3.625 2.253 51 HD2 PHE 6 1HD PHE 6 9.681 -7.053 3.403 52 HE1 PHE 6 2HE PHE 6 6.919 -3.124 4.641 53 HE2 PHE 6 1HE PHE 6 9.239 -6.551 5.791 54 HZ PHE 6 HZ PHE 6 7.858 -4.587 6.410 55 H ARG 7 H ARG 7 7.397 -5.434 -1.929 56 HA ARG 7 HA ARG 7 6.119 -2.809 -1.402 57 HB2 ARG 7 2HB ARG 7 8.109 -3.706 -3.079 58 HB3 ARG 7 1HB ARG 7 6.717 -3.666 -4.161 59 HG2 ARG 7 2HG ARG 7 6.388 -1.297 -2.882 60 HG3 ARG 7 1HG ARG 7 8.146 -1.430 -2.842 61 HD2 ARG 7 2HD ARG 7 6.340 -1.435 -5.278 62 HD3 ARG 7 1HD ARG 7 7.689 -0.339 -4.914 63 HE ARG 7 HE ARG 7 8.130 -3.271 -5.353 64 HH11 ARG 7 1HH2 ARG 7 10.410 -1.527 -4.477 65 HH12 ARG 7 2HH2 ARG 7 11.164 -1.132 -5.986 66 HH21 ARG 7 1HH1 ARG 7 8.433 -2.083 -7.899 67 HH22 ARG 7 2HH1 ARG 7 10.044 -1.450 -7.924 68 HA PRO 8 HA PRO 8 2.896 -4.950 -4.005 69 HB2 PRO 8 2HB PRO 8 3.285 -7.468 -4.975 70 HB3 PRO 8 1HB PRO 8 3.874 -6.009 -5.794 71 HG2 PRO 8 2HG PRO 8 5.357 -8.047 -4.302 72 HG3 PRO 8 1HG PRO 8 5.905 -6.921 -5.546 73 HD2 PRO 8 2HD PRO 8 6.276 -6.703 -2.745 74 HD3 PRO 8 1HD PRO 8 6.713 -5.518 -3.991 75 H ILE 9 H ILE 9 3.912 -5.881 -1.166 76 HA ILE 9 HA ILE 9 1.750 -7.921 -0.755 77 HB ILE 9 HB ILE 9 4.396 -7.608 0.694 78 HG12 ILE 9 2HG1 ILE 9 4.660 -8.323 -1.672 79 HG13 ILE 9 1HG1 ILE 9 5.082 -9.616 -0.548 80 HG21 ILE 9 1HG2 ILE 9 2.015 -9.379 0.995 81 HG22 ILE 9 2HG2 ILE 9 3.113 -8.755 2.225 82 HG23 ILE 9 3HG2 ILE 9 3.602 -10.116 1.216 83 HD11 ILE 9 3HD1 ILE 9 2.746 -10.509 -0.805 84 HD12 ILE 9 1HD1 ILE 9 3.693 -10.563 -2.292 85 HD13 ILE 9 2HD1 ILE 9 2.478 -9.305 -2.065 86 H VAL 10 H VAL 10 2.631 -4.779 -0.139 87 HA VAL 10 HA VAL 10 1.112 -4.746 2.405 88 HB VAL 10 HB VAL 10 3.478 -3.093 1.500 89 HG11 VAL 10 1HG1 VAL 10 3.092 -1.629 3.200 90 HG12 VAL 10 2HG1 VAL 10 2.542 -2.899 4.292 91 HG13 VAL 10 3HG1 VAL 10 1.431 -2.213 3.105 92 HG21 VAL 10 3HG2 VAL 10 4.761 -4.362 2.948 93 HG22 VAL 10 1HG2 VAL 10 3.576 -5.580 2.476 94 HG23 VAL 10 2HG2 VAL 10 3.398 -4.721 4.008 95 H HIS 11 H HIS 11 1.872 -3.054 -0.612 96 HA HIS 11 HA HIS 11 0.196 -0.775 -0.230 97 HB2 HIS 11 2HB HIS 11 1.211 -2.309 -2.628 98 HB3 HIS 11 1HB HIS 11 0.279 -0.823 -2.801 99 HD1 HIS 11 1HD HIS 11 2.741 -0.087 -3.882 100 HD2 HIS 11 2HD HIS 11 2.495 -0.478 0.261 101 HE1 HIS 11 1HE HIS 11 4.718 1.174 -2.924 102 H VAL 12 H VAL 12 -0.636 -4.039 -0.579 103 HA VAL 12 HA VAL 12 -3.151 -3.688 -2.012 104 HB VAL 12 HB VAL 12 -1.759 -5.756 -1.992 105 HG11 VAL 12 1HG1 VAL 12 -1.097 -5.541 0.422 106 HG12 VAL 12 2HG1 VAL 12 -1.676 -7.149 -0.009 107 HG13 VAL 12 3HG1 VAL 12 -2.730 -6.038 0.864 108 HG21 VAL 12 3HG2 VAL 12 -4.475 -6.196 -0.720 109 HG22 VAL 12 1HG2 VAL 12 -3.610 -7.305 -1.782 110 HG23 VAL 12 2HG2 VAL 12 -4.246 -5.789 -2.421 111 H GLY 13 H GLY 13 -2.252 -4.228 1.417 112 HA2 GLY 13 2HA GLY 13 -4.877 -4.305 2.437 113 HA3 GLY 13 1HA GLY 13 -3.465 -3.866 3.380 114 H LYS 14 H LYS 14 -2.728 -1.601 1.854 115 HA LYS 14 HA LYS 14 -4.453 0.380 3.028 116 HB2 LYS 14 2HB LYS 14 -2.080 0.413 1.161 117 HB3 LYS 14 1HB LYS 14 -2.857 1.898 1.715 118 HG2 LYS 14 2HG LYS 14 -1.202 1.620 3.336 119 HG3 LYS 14 1HG LYS 14 -2.574 0.814 4.098 120 HD2 LYS 14 2HD LYS 14 -1.026 -0.934 2.316 121 HD3 LYS 14 1HD LYS 14 -0.101 -0.334 3.693 122 HE2 LYS 14 2HE LYS 14 -1.453 -1.415 5.246 123 HE3 LYS 14 1HE LYS 14 -2.874 -1.385 4.182 124 HZ1 LYS 14 3HZ LYS 14 -1.805 -2.966 2.722 125 HZ2 LYS 14 1HZ LYS 14 -1.858 -3.606 4.293 126 HZ3 LYS 14 2HZ LYS 14 -0.406 -2.969 3.686 127 H THR 15 H THR 15 -4.342 -1.215 -0.053 128 HA THR 15 HA THR 15 -5.856 0.870 -1.463 129 HB THR 15 HB THR 15 -5.915 -1.309 -3.063 130 HG1 THR 15 1HG THR 15 -4.800 -2.810 -2.138 131 HG21 THR 15 3HG2 THR 15 -4.755 1.002 -3.285 132 HG22 THR 15 1HG2 THR 15 -4.078 -0.357 -4.183 133 HG23 THR 15 2HG2 THR 15 -3.321 0.172 -2.680 134 H ILE 16 H ILE 16 -6.472 -2.491 -0.545 135 HA ILE 16 HA ILE 16 -9.125 -2.770 -1.282 136 HB ILE 16 HB ILE 16 -9.203 -4.197 0.932 137 HG12 ILE 16 2HG1 ILE 16 -6.319 -4.382 0.953 138 HG13 ILE 16 1HG1 ILE 16 -6.811 -2.733 1.337 139 HG21 ILE 16 1HG2 ILE 16 -8.733 -4.915 -1.487 140 HG22 ILE 16 2HG2 ILE 16 -8.100 -5.960 -0.214 141 HG23 ILE 16 3HG2 ILE 16 -7.024 -4.845 -1.057 142 HD11 ILE 16 3HD1 ILE 16 -8.540 -4.597 2.694 143 HD12 ILE 16 1HD1 ILE 16 -7.487 -3.363 3.386 144 HD13 ILE 16 2HD1 ILE 16 -6.857 -4.977 3.057 145 H HIS 17 H HIS 17 -8.311 -1.947 2.121 146 HA HIS 17 HA HIS 17 -10.842 -1.019 2.835 147 HB2 HIS 17 2HB HIS 17 -9.758 -0.431 4.796 148 HB3 HIS 17 1HB HIS 17 -8.557 -1.503 4.093 149 HD1 HIS 17 1HD HIS 17 -9.026 1.916 5.279 150 HD2 HIS 17 2HD HIS 17 -6.455 0.001 2.620 151 HE1 HIS 17 1HE HIS 17 -7.077 3.492 4.910 152 H ARG 18 H ARG 18 -8.424 0.504 0.913 153 HA ARG 18 HA ARG 18 -9.438 3.198 1.218 154 HB2 ARG 18 2HB ARG 18 -7.138 3.050 0.765 155 HB3 ARG 18 1HB ARG 18 -7.374 1.785 -0.440 156 HG2 ARG 18 2HG ARG 18 -6.835 3.857 -1.590 157 HG3 ARG 18 1HG ARG 18 -8.529 3.467 -1.899 158 HD2 ARG 18 2HD ARG 18 -8.445 5.002 0.507 159 HD3 ARG 18 1HD ARG 18 -7.470 5.849 -0.708 160 HE ARG 18 HE ARG 18 -10.003 4.795 -1.739 161 HH11 ARG 18 1HH2 ARG 18 -9.214 7.158 0.511 162 HH12 ARG 18 2HH2 ARG 18 -9.939 8.473 -0.352 163 HH21 ARG 18 1HH1 ARG 18 -10.570 6.601 -3.203 164 HH22 ARG 18 2HH1 ARG 18 -10.707 8.158 -2.454 165 H LEU 19 H LEU 19 -9.930 0.524 -0.938 166 HA LEU 19 HA LEU 19 -11.257 2.035 -3.010 167 HB2 LEU 19 2HB LEU 19 -10.247 0.079 -3.766 168 HB3 LEU 19 1HB LEU 19 -10.686 -0.820 -2.314 169 HG LEU 19 HG LEU 19 -12.911 0.151 -4.046 170 HD11 LEU 19 1HD1 LEU 19 -12.334 -1.034 -5.874 171 HD12 LEU 19 2HD1 LEU 19 -12.059 -2.474 -4.893 172 HD13 LEU 19 3HD1 LEU 19 -10.754 -1.316 -5.144 173 HD21 LEU 19 3HD2 LEU 19 -13.026 -2.599 -3.244 174 HD22 LEU 19 1HD2 LEU 19 -14.009 -1.252 -2.668 175 HD23 LEU 19 2HD2 LEU 19 -12.486 -1.638 -1.865 176 H VAL 20 H VAL 20 -12.393 -0.313 -0.550 177 HA VAL 20 HA VAL 20 -15.136 -0.139 -1.014 178 HB VAL 20 HB VAL 20 -13.963 -1.727 0.475 179 HG11 VAL 20 1HG1 VAL 20 -13.783 0.591 2.417 180 HG12 VAL 20 2HG1 VAL 20 -12.430 0.060 1.416 181 HG13 VAL 20 3HG1 VAL 20 -13.120 -1.030 2.620 182 HG21 VAL 20 3HG2 VAL 20 -16.392 -1.322 0.755 183 HG22 VAL 20 1HG2 VAL 20 -16.033 -0.048 1.918 184 HG23 VAL 20 2HG2 VAL 20 -15.616 -1.721 2.288 185 H THR 21 H THR 21 -13.106 1.898 1.005 186 HA THR 21 HA THR 21 -15.281 3.596 1.875 187 HB THR 21 HB THR 21 -13.116 3.030 3.096 188 HG1 THR 21 1HG THR 21 -14.210 5.559 2.722 189 HG21 THR 21 3HG2 THR 21 -11.100 3.780 2.337 190 HG22 THR 21 1HG2 THR 21 -11.785 5.269 1.687 191 HG23 THR 21 2HG2 THR 21 -11.918 3.766 0.777 192 H GLY 22 H GLY 22 -13.685 3.303 -1.033 193 HA2 GLY 22 1HA GLY 22 -12.926 5.781 -1.944 194 HA3 GLY 22 2HA GLY 22 -13.828 4.658 -2.958 Start of MODEL 20 1 H1 PHE 1 1HT PHE 1 8.771 -3.240 7.709 2 H2 PHE 1 2HT PHE 1 8.012 -3.844 6.315 3 H3 PHE 1 3HT PHE 1 8.340 -2.183 6.454 4 HA PHE 1 HA PHE 1 9.901 -3.702 5.030 5 HB2 PHE 1 2HB PHE 1 11.643 -2.033 5.561 6 HB3 PHE 1 1HB PHE 1 10.052 -1.272 5.508 7 HD1 PHE 1 2HD PHE 1 8.877 -0.657 7.603 8 HD2 PHE 1 1HD PHE 1 12.870 -2.239 7.630 9 HE1 PHE 1 2HE PHE 1 9.168 0.120 9.939 10 HE2 PHE 1 1HE PHE 1 13.161 -1.462 9.968 11 HZ PHE 1 HZ PHE 1 11.310 -0.282 11.122 12 H PHE 2 H PHE 2 12.174 -4.563 5.407 13 HA PHE 2 HA PHE 2 12.909 -5.474 8.082 14 HB2 PHE 2 2HB PHE 2 11.001 -6.949 7.492 15 HB3 PHE 2 1HB PHE 2 11.852 -7.449 6.032 16 HD1 PHE 2 2HD PHE 2 13.431 -6.774 9.323 17 HD2 PHE 2 1HD PHE 2 12.153 -9.777 6.528 18 HE1 PHE 2 2HE PHE 2 14.650 -8.501 10.620 19 HE2 PHE 2 1HE PHE 2 13.372 -11.503 7.825 20 HZ PHE 2 HZ PHE 2 14.621 -10.866 9.870 21 H HIS 3 H HIS 3 13.286 -5.824 4.569 22 HA HIS 3 HA HIS 3 16.222 -5.688 4.864 23 HB2 HIS 3 2HB HIS 3 14.796 -8.146 4.716 24 HB3 HIS 3 1HB HIS 3 15.596 -7.925 3.159 25 HD1 HIS 3 1HD HIS 3 18.177 -6.550 3.971 26 HD2 HIS 3 2HD HIS 3 16.579 -9.760 6.098 27 HE1 HIS 3 1HE HIS 3 20.099 -7.589 5.252 28 H HIS 4 H HIS 4 13.748 -6.651 2.459 29 HA HIS 4 HA HIS 4 14.528 -4.352 0.744 30 HB2 HIS 4 2HB HIS 4 15.165 -7.213 0.340 31 HB3 HIS 4 1HB HIS 4 14.467 -6.412 -1.068 32 HD1 HIS 4 1HD HIS 4 17.263 -5.832 1.461 33 HD2 HIS 4 2HD HIS 4 16.304 -4.905 -2.489 34 HE1 HIS 4 1HE HIS 4 19.280 -4.643 0.493 35 H ILE 5 H ILE 5 12.793 -7.346 -0.055 36 HA ILE 5 HA ILE 5 10.576 -6.073 -1.239 37 HB ILE 5 HB ILE 5 9.697 -8.270 -1.334 38 HG12 ILE 5 2HG1 ILE 5 9.562 -8.915 0.961 39 HG13 ILE 5 1HG1 ILE 5 10.627 -10.090 0.201 40 HG21 ILE 5 1HG2 ILE 5 12.393 -7.789 -1.896 41 HG22 ILE 5 2HG2 ILE 5 11.394 -9.090 -2.543 42 HG23 ILE 5 3HG2 ILE 5 12.364 -9.361 -1.095 43 HD11 ILE 5 3HD1 ILE 5 11.538 -7.654 1.759 44 HD12 ILE 5 1HD1 ILE 5 12.594 -8.850 1.008 45 HD13 ILE 5 2HD1 ILE 5 11.551 -9.313 2.351 46 H PHE 6 H PHE 6 8.476 -7.587 0.213 47 HA PHE 6 HA PHE 6 7.013 -7.340 2.053 48 HB2 PHE 6 2HB PHE 6 9.674 -6.902 3.024 49 HB3 PHE 6 1HB PHE 6 8.605 -5.732 3.800 50 HD1 PHE 6 1HD PHE 6 7.662 -9.104 2.551 51 HD2 PHE 6 2HD PHE 6 8.447 -6.661 5.996 52 HE1 PHE 6 1HE PHE 6 6.782 -10.896 4.022 53 HE2 PHE 6 2HE PHE 6 7.566 -8.452 7.467 54 HZ PHE 6 HZ PHE 6 6.734 -10.570 6.480 55 H ARG 7 H ARG 7 8.201 -4.889 0.147 56 HA ARG 7 HA ARG 7 6.724 -2.700 1.502 57 HB2 ARG 7 2HB ARG 7 8.782 -1.953 0.686 58 HB3 ARG 7 1HB ARG 7 8.710 -2.994 -0.731 59 HG2 ARG 7 2HG ARG 7 6.874 -1.578 -1.643 60 HG3 ARG 7 1HG ARG 7 7.048 -0.504 -0.254 61 HD2 ARG 7 2HD ARG 7 8.315 0.375 -2.191 62 HD3 ARG 7 1HD ARG 7 9.433 -0.110 -0.901 63 HE ARG 7 HE ARG 7 9.020 -2.405 -2.477 64 HH11 ARG 7 1HH1 ARG 7 11.130 0.153 -2.097 65 HH12 ARG 7 2HH1 ARG 7 11.859 0.027 -3.664 66 HH21 ARG 7 1HH2 ARG 7 9.575 -2.308 -4.829 67 HH22 ARG 7 2HH2 ARG 7 10.978 -1.368 -5.211 68 HA PRO 8 HA PRO 8 4.289 -3.211 -2.479 69 HB2 PRO 8 2HB PRO 8 4.795 -5.286 -4.172 70 HB3 PRO 8 1HB PRO 8 5.621 -3.719 -4.287 71 HG2 PRO 8 2HG PRO 8 6.619 -6.301 -3.322 72 HG3 PRO 8 1HG PRO 8 7.493 -4.908 -3.965 73 HD2 PRO 8 2HD PRO 8 7.227 -5.654 -1.250 74 HD3 PRO 8 1HD PRO 8 7.970 -4.181 -1.899 75 H ILE 9 H ILE 9 5.034 -5.663 -0.322 76 HA ILE 9 HA ILE 9 2.743 -7.412 -0.985 77 HB ILE 9 HB ILE 9 4.937 -7.396 1.099 78 HG12 ILE 9 2HG1 ILE 9 4.347 -9.433 -1.056 79 HG13 ILE 9 1HG1 ILE 9 5.355 -8.020 -1.361 80 HG21 ILE 9 1HG2 ILE 9 3.841 -9.897 1.225 81 HG22 ILE 9 2HG2 ILE 9 2.400 -8.907 0.988 82 HG23 ILE 9 3HG2 ILE 9 3.467 -8.598 2.358 83 HD11 ILE 9 3HD1 ILE 9 7.105 -8.882 -0.206 84 HD12 ILE 9 1HD1 ILE 9 6.261 -10.424 -0.350 85 HD13 ILE 9 2HD1 ILE 9 6.069 -9.446 1.105 86 H VAL 10 H VAL 10 3.130 -4.523 0.614 87 HA VAL 10 HA VAL 10 0.888 -5.111 2.459 88 HB VAL 10 HB VAL 10 3.183 -3.156 2.720 89 HG11 VAL 10 1HG1 VAL 10 1.619 -3.756 5.110 90 HG12 VAL 10 2HG1 VAL 10 0.633 -3.020 3.845 91 HG13 VAL 10 3HG1 VAL 10 2.073 -2.191 4.435 92 HG21 VAL 10 3HG2 VAL 10 2.653 -5.442 4.584 93 HG22 VAL 10 1HG2 VAL 10 4.186 -4.676 4.164 94 HG23 VAL 10 2HG2 VAL 10 3.414 -5.787 3.030 95 H HIS 11 H HIS 11 2.225 -2.964 0.033 96 HA HIS 11 HA HIS 11 0.535 -0.711 0.314 97 HB2 HIS 11 2HB HIS 11 2.278 -1.947 -1.654 98 HB3 HIS 11 1HB HIS 11 0.890 -1.189 -2.435 99 HD1 HIS 11 1HD HIS 11 0.405 1.380 -1.501 100 HD2 HIS 11 2HD HIS 11 4.261 -0.129 -1.022 101 HE1 HIS 11 1HE HIS 11 1.911 3.376 -1.096 102 H VAL 12 H VAL 12 -0.225 -3.927 -0.550 103 HA VAL 12 HA VAL 12 -2.537 -3.515 -2.207 104 HB VAL 12 HB VAL 12 -2.117 -5.784 -0.252 105 HG11 VAL 12 1HG1 VAL 12 -4.075 -5.392 -2.057 106 HG12 VAL 12 2HG1 VAL 12 -3.452 -6.996 -1.674 107 HG13 VAL 12 3HG1 VAL 12 -2.876 -6.146 -3.108 108 HG21 VAL 12 3HG2 VAL 12 0.042 -5.678 -1.142 109 HG22 VAL 12 1HG2 VAL 12 -0.519 -5.039 -2.688 110 HG23 VAL 12 2HG2 VAL 12 -0.766 -6.741 -2.295 111 H GLY 13 H GLY 13 -2.524 -4.662 1.187 112 HA2 GLY 13 2HA GLY 13 -5.152 -4.272 1.850 113 HA3 GLY 13 1HA GLY 13 -3.862 -3.973 3.007 114 H LYS 14 H LYS 14 -2.772 -1.811 1.318 115 HA LYS 14 HA LYS 14 -4.128 0.402 2.487 116 HB2 LYS 14 2HB LYS 14 -2.308 0.341 0.065 117 HB3 LYS 14 1HB LYS 14 -2.574 1.708 1.144 118 HG2 LYS 14 2HG LYS 14 -1.251 -0.926 1.845 119 HG3 LYS 14 1HG LYS 14 -0.482 0.656 1.759 120 HD2 LYS 14 2HD LYS 14 -0.877 0.708 4.002 121 HD3 LYS 14 1HD LYS 14 -2.500 1.187 3.508 122 HE2 LYS 14 2HE LYS 14 -2.373 -0.757 5.180 123 HE3 LYS 14 1HE LYS 14 -3.314 -1.081 3.713 124 HZ1 LYS 14 3HZ LYS 14 -1.762 -2.482 2.915 125 HZ2 LYS 14 1HZ LYS 14 -1.274 -2.611 4.536 126 HZ3 LYS 14 2HZ LYS 14 -0.463 -1.548 3.487 127 H THR 15 H THR 15 -4.388 -1.166 -0.675 128 HA THR 15 HA THR 15 -6.187 0.891 -1.737 129 HB THR 15 HB THR 15 -6.250 -0.757 -3.659 130 HG1 THR 15 1HG THR 15 -5.639 -2.694 -3.209 131 HG21 THR 15 3HG2 THR 15 -4.595 0.812 -4.011 132 HG22 THR 15 1HG2 THR 15 -3.599 -0.638 -3.885 133 HG23 THR 15 2HG2 THR 15 -3.771 0.437 -2.496 134 H ILE 16 H ILE 16 -6.451 -2.296 -0.314 135 HA ILE 16 HA ILE 16 -9.087 -2.981 -1.003 136 HB ILE 16 HB ILE 16 -7.265 -3.475 1.340 137 HG12 ILE 16 2HG1 ILE 16 -7.821 -5.881 0.307 138 HG13 ILE 16 1HG1 ILE 16 -8.196 -4.901 -1.113 139 HG21 ILE 16 1HG2 ILE 16 -9.362 -3.586 2.437 140 HG22 ILE 16 2HG2 ILE 16 -9.006 -5.256 1.997 141 HG23 ILE 16 3HG2 ILE 16 -10.148 -4.314 1.037 142 HD11 ILE 16 3HD1 ILE 16 -5.753 -3.977 0.116 143 HD12 ILE 16 1HD1 ILE 16 -6.011 -4.562 -1.527 144 HD13 ILE 16 2HD1 ILE 16 -5.640 -5.703 -0.234 145 H HIS 17 H HIS 17 -8.344 -1.904 2.305 146 HA HIS 17 HA HIS 17 -10.891 -0.969 2.935 147 HB2 HIS 17 2HB HIS 17 -9.757 0.044 4.793 148 HB3 HIS 17 1HB HIS 17 -8.855 -1.408 4.387 149 HD1 HIS 17 1HD HIS 17 -7.955 1.643 5.533 150 HD2 HIS 17 2HD HIS 17 -7.004 -0.251 1.943 151 HE1 HIS 17 1HE HIS 17 -5.833 2.737 4.687 152 H ARG 18 H ARG 18 -8.491 0.455 0.927 153 HA ARG 18 HA ARG 18 -9.494 3.169 1.098 154 HB2 ARG 18 2HB ARG 18 -7.183 2.921 0.646 155 HB3 ARG 18 1HB ARG 18 -7.479 1.673 -0.565 156 HG2 ARG 18 2HG ARG 18 -6.919 3.733 -1.719 157 HG3 ARG 18 1HG ARG 18 -8.633 3.400 -1.975 158 HD2 ARG 18 2HD ARG 18 -8.824 5.609 -1.320 159 HD3 ARG 18 1HD ARG 18 -8.791 4.880 0.297 160 HE ARG 18 HE ARG 18 -6.183 5.143 -0.014 161 HH11 ARG 18 1HH2 ARG 18 -8.303 7.468 0.666 162 HH12 ARG 18 2HH2 ARG 18 -7.477 8.784 -0.099 163 HH21 ARG 18 1HH1 ARG 18 -5.252 6.744 -1.806 164 HH22 ARG 18 2HH1 ARG 18 -5.749 8.374 -1.499 165 H LEU 19 H LEU 19 -10.164 0.348 -0.757 166 HA LEU 19 HA LEU 19 -11.402 1.702 -2.996 167 HB2 LEU 19 2HB LEU 19 -10.549 -0.367 -3.577 168 HB3 LEU 19 1HB LEU 19 -10.924 -1.070 -2.006 169 HG LEU 19 HG LEU 19 -13.294 -0.265 -3.565 170 HD11 LEU 19 1HD1 LEU 19 -13.149 -1.872 -5.272 171 HD12 LEU 19 2HD1 LEU 19 -11.852 -2.751 -4.462 172 HD13 LEU 19 3HD1 LEU 19 -11.517 -1.203 -5.239 173 HD21 LEU 19 3HD2 LEU 19 -13.246 -3.012 -2.839 174 HD22 LEU 19 1HD2 LEU 19 -14.116 -1.703 -2.038 175 HD23 LEU 19 2HD2 LEU 19 -12.481 -2.120 -1.523 176 H VAL 20 H VAL 20 -12.572 -0.057 -0.114 177 HA VAL 20 HA VAL 20 -15.336 0.160 -0.653 178 HB VAL 20 HB VAL 20 -15.549 -0.541 1.615 179 HG11 VAL 20 1HG1 VAL 20 -14.508 -2.478 1.175 180 HG12 VAL 20 2HG1 VAL 20 -12.945 -1.732 1.512 181 HG13 VAL 20 3HG1 VAL 20 -13.620 -1.667 -0.115 182 HG21 VAL 20 3HG2 VAL 20 -12.784 0.626 2.019 183 HG22 VAL 20 1HG2 VAL 20 -13.694 -0.260 3.243 184 HG23 VAL 20 2HG2 VAL 20 -14.290 1.292 2.651 185 H THR 21 H THR 21 -13.132 2.234 1.121 186 HA THR 21 HA THR 21 -15.131 4.189 1.828 187 HB THR 21 HB THR 21 -12.980 3.677 3.048 188 HG1 THR 21 1HG THR 21 -14.214 5.829 2.909 189 HG21 THR 21 3HG2 THR 21 -11.874 3.964 0.522 190 HG22 THR 21 1HG2 THR 21 -10.972 3.893 2.037 191 HG23 THR 21 2HG2 THR 21 -11.404 5.454 1.341 192 H GLY 22 H GLY 22 -13.747 3.366 -1.080 193 HA2 GLY 22 1HA GLY 22 -12.869 5.618 -2.389 194 HA3 GLY 22 2HA GLY 22 -13.922 4.443 -3.173