*HEADER TRANSPORT PROTEIN 11-SEP-09 SMS20102 *TITLE TERMINAL HELIX OF THE SERCA2B CA2+ PUMP *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: 20-MERIC PEPTIDE FROM SARCOPLASMIC/ENDOPLASMIC RETICULUM *COMPND 3 CALCIUM ATPASE 2; *COMPND 4 CHAIN: A; *COMPND 5 FRAGMENT: UNP RESIDUES 1012-1031; *COMPND 6 SYNONYM: T11, SERCA2, SR CA(2+)-ATPASE 2, CALCIUM PUMP 2, CALCIUM- *COMPND 7 TRANSPORTING ATPASE SARCOPLASMIC RETICULUM TYPE, SLOW TWITCH SKELETAL *COMPND 8 MUSCLE ISOFORM, ENDOPLASMIC RETICULUM CLASS 1/2 CA(2+) ATPASE; *COMPND 9 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; *SOURCE 4 ORGANISM_COMMON: HUMAN; *SOURCE 5 ORGANISM_TAXID: 9606; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS SERCA2B, TERMINAL HELIX, TRANSPORT PROTEIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR I.VANDECAETSBEEK, M.TREKELS, M.DE MAEYER, H.CEULEMANS, E.LESCRINIER, *AUTHOR 2 L.RAEYMAEKERS, F.WUYTACK, P.VANGHELUWE assign (resid 2 and name HA#) (resid 5 and name HD1) 3.6 0.7 0.7 assign (resid 4 and name HA) (resid 5 and name HD1) 3.3 0.7 0.7 !assign (resid 4 and name HA) (resid 7 and name HD#) 3.1 0.6 0.6 assign (resid 5 and name HA) (resid 8 and name HN) 3.0 0.5 0.5 !reassigned 9>8 !assign (resid 6 and name HA) (resid 5 and name HE3) 3.3 0.7 0.7 !assign (resid 6 and name HB2) (resid 3 and name HA) 3.8 0.8 0.8 !omitted: missagnment !assign (resid 6 and name HB2) (resid 5 and name HZ2) 3.3 0.7 0.7 assign (resid 6 and name HD1) (resid 5 and name HA) 3.2 0.6 0.6 assign (resid 6 and name HD2) (resid 5 and name HA) 3.5 0.7 0.7 assign (resid 6 and name HD1) (resid 5 and name HB2) 2.8 0.6 0.6 !assign (resid 6 and name HD2) (resid 5 and name HD1) 3.1 0.6 0.6 assign ((resid 6 and name HD2) or (resid 6 and name HD1)) (resid 9 and name HN) 5 5 0 !added manually !assign ((resid 6 and name HD2) or (resid 6 and name HD1)) (resid 9 and name HA ) 3.4 0.7 0.7 ! overlap HA6 and HA9 assign (resid 7 and name HA) (resid 8 and name HN) 3.1 0.6 0.6 assign (resid 7 and name HA) (resid 10 and name HN) 3.1 0.6 0.6 assign (resid 7 and name HN) (resid 8 and name HN) 2.5 0.5 0.5 assign ((resid 7 and name HB1) or (resid 7 and name HB1)) (resid 4 and name HA) 4 4 0.8 !increased: diffusion effect assign ((resid 7 and name HB1) or (resid 7 and name HB1)) ((resid 4 and name HB2) or (resid 4 and name HB1)) 4 4 0.8 !increased: diffusion effect assign ((resid 7 and name HB1) or (resid 4 and name HB2)) (resid 8 and name HN) 3.0 0.6 0.6 !assign (resid 7 and name HB2) ((resid 4 and name HB2) or (resid 4 and name HB1)) 3.9 0.8 0.8 !assign (resid 7 and name HB2) (resid 8 and name HN) 3.1 0.6 0.6 !assign (resid 8 and name HA) (resid 7 and name HD#) 3.9 0.8 0.8 assign (resid 8 and name HA) (resid 11 and name HN) 3.3 0.7 0.7 assign (resid 8 and name HN) (resid 9 and name HN) 2.5 0.5 0.5 !manually added, close to diagonal assign (resid 8 and name HB) (resid 5 and name HA) 2.6 0.5 0.5 !assign (resid 8 and name HB) (resid 5 and name HE3) 3.7 0.7 0.7 !assign (resid 8 and name HG1#) (resid 5 and name HA) 2.7 0.5 0.5 !assign (resid 8 and name HG1#) (resid 9 and name HA) 4.0 0.8 0.8 !assign (resid 8 and name HG2#) (resid 5 and name HA) 3.3 0.7 0.7 !assign (resid 8 and name HG2#) (resid 5 and name HE3) 3.6 0.7 0.7 !assign (resid 8 and name HG2#) (resid 9 and name HA) 3.2 0.6 0.6 !assign (resid 8 and name HG2#) (resid 12 and name HG) 3.2 0.6 0.6 assign ((resid 9 and name HA) or (resid 6 and name HA)) (resid 10 and name HN) 3.0 0.6 0.6 !assign (resid 9 and name HA) (resid 12 and name HN) 3.4 0.7 0.7 !changed assignment 9->6 assign (resid 9 and name HA) ((resid 12 and name HB1) or (resid 12 and name HB2)) 5 5 1 !weak signals , manually added assign (resid 10 and name HN) (resid 9 and name HN) 2.5 0.5 0.5 assign (resid 10 and name HN) (resid 8 and name HA) 4.3 0.9 0.9 !added manually assign (resid 14 and name HA) (resid 15 and name HN) 2.9 0.6 0.6 !corrected assignment !assign ((resid 10 and name HB1) or (resid 10 and name HB2)) (resid 7 and name HA) 3.2 0.6 0.6 !assign (resid 10 and name HB2) (resid 7 and name HA) 3.0 0.6 0.6 assign (resid 11 and name HA) (resid 12 and name HN) 3.1 0.6 0.6 assign (resid 11 and name HB) (resid 12 and name HN) 3.1 0.6 0.6 assign (resid 11 and name HN) (resid 12 and name HN) 2.4 0.5 0.5 !assign (resid 11 and name HD1#) (resid 8 and name HA) 3.1 0.6 0.6 !assign (resid 11 and name HD1#) (resid 12 and name HG) 2.9 0.6 0.6 assign ((resid 11 and name HG12) or (resid 11 and name HG11)) (resid 8 and name HA) 3.4 0.7 0.7 !assign (resid 11 and name HG2#) (resid 8 and name HA) 2.9 0.6 0.6 assign (resid 12 and name HA) (resid 14 and name HN) 3.2 0.6 0.6 assign (resid 12 and name HA) (resid 15 and name HN) 3.1 0.6 0.6 !assign (resid 12 and name HG#) (resid 9 and name HA) 4.2 0.8 0.8 assign (resid 12 and name HB2) (resid 13 and name HD1) 2.8 0.6 0.6 assign (resid 12 and name HB2) (resid 13 and name HD2) 3.3 0.7 0.7 assign ((resid 13 and name HB2) or (resid 13 and name HB2)) (resid 14 and name HN) 5 5 1 ! increased dist=>diffusion effect assign (resid 13 and name HA) (resid 14 and name HN) 3.1 0.6 0.6 assign (resid 13 and name HA) (resid 15 and name HN) 3.9 0.8 0.8 assign (resid 13 and name HA) (resid 16 and name HN) 3.0 0.6 0.6 assign (resid 13 and name HB1) (resid 10 and name HA) 3.9 0.8 0.8 assign ((resid 13 and name HG2) or (resid 13 and name HG1)) (resid 14 and name HN) 3.7 0.7 0.7 assign (resid 13 and name HD1) (resid 12 and name HA) 3.6 0.7 0.7 assign (resid 13 and name HD1) (resid 12 and name HN) 2.7 0.5 0.5 assign ((resid 13 and name HD1) or (resid 13 and name HD2)) (resid 14 and name HN) 3.3 0.7 0.7 !assign (resid 13 and name HD2) (resid 14 and name HN) 2.9 0.6 0.6 assign (resid 13 and name HD2) (resid 12 and name HN) 2.9 0.6 0.6 assign (resid 14 and name HN) (resid 15 and name HN) 2.3 0.5 0.5 assign ((resid 14 and name HB1) or (resid 14 and name HB2)) (resid 15 and name HN) 2.6 0.5 0.5 !assign (resid 14 and name HB2) (resid 15 and name HN) 2.6 0.5 0.5 assign (resid 15 and name HA) (resid 16 and name HN) 5 5 2 ! increased dist=>overlap assign (resid 15 and name HA) (resid 18 and name HN) 3.3 0.7 0.7 assign (resid 15 and name HB) (resid 16 and name HA) 3.1 0.6 0.6 assign (resid 15 and name HB) (resid 16 and name HN) 2.7 0.5 0.5 assign (resid 15 and name HN) (resid 16 and name HN) 2.6 0.5 0.5 !assign (resid 15 and name HG1#) (resid 12 and name HA) 2.6 0.5 0.5 !assign (resid 15 and name HG1#) (resid 14 and name HN) 3.1 0.6 0.6 !assign (resid 15 and name HG1#) (resid 16 and name HN) 3.2 0.6 0.6 !assign (resid 15 and name HG2#) (resid 12 and name HA) 3.1 0.6 0.6 !assign (resid 15 and name HG2#) (resid 14 and name HN) 2.6 0.5 0.5 !assign (resid 15 and name HG2#) (resid 16 and name HN) 3.1 0.6 0.6 !assign (resid 15 and name HG2#) (resid 19 and name HE#) 3.2 0.6 0.6 assign (resid 16 and name HA) (resid 15 and name HN) 5 5 2 ! increased dist=>overlap !assign (resid 16 and name HA) (resid 19 and name HD#) 3.7 0.7 0.7 !assign (resid 16 and name HA) (resid 19 and name HE#) 5.1 1.0 1.0 assign (resid 16 and name HB) (resid 17 and name HN) 2.8 0.6 0.6 assign (resid 16 and name HG12) (resid 13 and name HA) 3.2 0.6 0.6 !assign (resid 16 and name HG2#) (resid 17 and name HN) 3.4 0.7 0.7 assign (resid 16 and name HN) (resid 17 and name HN) 2.6 0.5 0.5 !manually added, close to diag assign (resid 17 and name HA) (resid 18 and name HN) 3.2 0.6 0.6 assign (resid 17 and name HN) (resid 18 and name HN) 2.7 0.5 0.5 assign (resid 17 and name HB1) (resid 18 and name HN) 2.9 0.6 0.6 assign (resid 17 and name HE3) (resid 18 and name HN) 3.6 0.7 0.7 assign (resid 18 and name HA) (resid 17 and name HD1) 3.3 0.7 0.7 assign (resid 18 and name HA) (resid 17 and name HE3) 3.2 0.6 0.6 assign (resid 18 and name HB) (resid 15 and name HA) 2.8 0.6 0.6 !assign (resid 18 and name HB) (resid 19 and name HD#) 3.4 0.7 0.7 assign (resid 18 and name HB) (resid 19 and name HN) 3.0 0.6 0.6 !assign (resid 18 and name HG1#) (resid 17 and name HZ2) 3.5 0.7 0.7 !assign (resid 18 and name HG1#) (resid 19 and name HA) 3.4 0.7 0.7 !assign (resid 18 and name HG1#) (resid 19 and name HE#) 4.0 0.8 0.8 !assign (resid 18 and name HG2#) (resid 17 and name HE3) 3.0 0.6 0.6 !assign (resid 18 and name HG2#) (resid 17 and name HH2) 3.5 0.7 0.7 assign (resid 19 and name HN) (resid 18 and name HN) 3.0 0.6 0.6 assign (resid 19 and name HB1) (resid 16 and name HA) 3.6 0.7 0.7 restraints dihedral ! dihedrals based on JHN-HA assign (resid 7 and name HN) (resid 7 and name N) (resid 7 and name CA) (resid 7 and name HA) 1.000 -120 30.0 2 assign (resid 8 and name HN) (resid 8 and name N) (resid 8 and name CA) (resid 8 and name HA) 1.000 -120 30.0 2 assign (resid 9 and name HN) (resid 9 and name N) (resid 9 and name CA) (resid 9 and name HA) 1.000 -120 30.0 2 assign (resid 10 and name HN) (resid 10 and name N) (resid 10 and name CA) (resid 10 and name HA) 1.000 -120 30.0 2 assign (resid 11 and name HN) (resid 11 and name N) (resid 11 and name CA) (resid 11 and name HA) 1.000 -120 30.0 2 assign (resid 12 and name HN) (resid 12 and name N) (resid 12 and name CA) (resid 12 and name HA) 1.000 -120 30.0 2 assign (resid 14 and name HN) (resid 14 and name N) (resid 14 and name CA) (resid 14 and name HA) 1.000 -120 30.0 2 assign (resid 15 and name HN) (resid 15 and name N) (resid 15 and name CA) (resid 15 and name HA) 1.000 -120 30.0 2 assign (resid 16 and name HN) (resid 16 and name N) (resid 16 and name CA) (resid 16 and name HA) 1.000 -120 30.0 2 assign (resid 17 and name HN) (resid 17 and name N) (resid 17 and name CA) (resid 17 and name HA) 1.000 -120 30.0 2 assign (resid 18 and name HN) (resid 18 and name N) (resid 18 and name CA) (resid 18 and name HA) 1.000 -120 30.0 2 assign (resid 19 and name HN) (resid 19 and name N) (resid 19 and name CA) (resid 19 and name HA) 1.000 -120 30.0 2 !dihedrals in peptide bonds assign (resid 1 and name O) (resid 1 and name C) (resid 2 and name N) (resid 2 and name HN) 1.000 180 10.0 2 assign (resid 2 and name O) (resid 2 and name C) (resid 3 and name N) (resid 3 and name HN) 1.000 180 10.0 2 assign (resid 3 and name O) (resid 3 and name C) (resid 4 and name N) (resid 4 and name HN) 1.000 180 10.0 2 assign (resid 4 and name O) (resid 4 and name C) (resid 5 and name N) (resid 5 and name HN) 1.000 180 10.0 2 assign (resid 6 and name O) (resid 6 and name C) (resid 7 and name N) (resid 7 and name HN) 1.000 180 10.0 2 assign (resid 7 and name O) (resid 7 and name C) (resid 8 and name N) (resid 8 and name HN) 1.000 180 10.0 2 assign (resid 8 and name O) (resid 8 and name C) (resid 9 and name N) (resid 9 and name HN) 1.000 180 10.0 2 assign (resid 9 and name O) (resid 9 and name C) (resid 10 and name N) (resid 10 and name HN) 1.000 180 10.0 2 assign (resid 10 and name O) (resid 10 and name C) (resid 11 and name N) (resid 11 and name HN) 1.000 180 10.0 2 assign (resid 11 and name O) (resid 11 and name C) (resid 12 and name N) (resid 12 and name HN) 1.000 180 10.0 2 assign (resid 13 and name O) (resid 13 and name C) (resid 14 and name N) (resid 14 and name HN) 1.000 180 10.0 2 assign (resid 14 and name O) (resid 14 and name C) (resid 15 and name N) (resid 15 and name HN) 1.000 180 10.0 2 assign (resid 15 and name O) (resid 15 and name C) (resid 16 and name N) (resid 16 and name HN) 1.000 180 10.0 2 assign (resid 16 and name O) (resid 16 and name C) (resid 17 and name N) (resid 17 and name HN) 1.000 180 10.0 2 assign (resid 17 and name O) (resid 17 and name C) (resid 18 and name N) (resid 18 and name HN) 1.000 180 10.0 2 assign (resid 18 and name O) (resid 18 and name C) (resid 19 and name N) (resid 19 and name HN) 1.000 180 10.0 2 assign (resid 19 and name O) (resid 19 and name C) (resid 20 and name N) (resid 20 and name HN) 1.000 180 10.0 2 !dihedrals in proline residues end assign (resid 1 and name HB1) (resid 1 and name HA ) 3.2 0.6 0.6 assign (resid 1 and name HB2) (resid 1 and name HA ) 3.3 0.7 0.7 assign (resid 3 and name HB) (resid 3 and name HA ) 2.3 0.5 0.5 assign (resid 4 and name HA) (resid 4 and name HN ) 4.0 4 0.8 assign ((resid 4 and name HB1) or (resid 4 and name HB2)) (resid 4 and name HA ) 2.4 0.5 0.5 !assign ((resid 4 and name HB1) or (resid 4 and name HB2)) (resid 4 and name HN ) 5.9 1.2 1.2 !assign (resid 4 and name HB2) (resid 4 and name HA ) 2.5 0.5 0.5 !assign (resid 4 and name HB2) (resid 4 and name HN ) 5.5 1.1 1.1 !assign (resid 5 and name HA) (resid 5 and name HD1 ) 3.0 0.6 0.6 !omitted: diffusion through HB# !assign (resid 5 and name HA) (resid 5 and name HE3 ) 2.7 0.5 0.5 !omitted: diffusion through HB# !assign (resid 5 and name HA) (resid 5 and name HH2 ) 5.2 1.0 1.0 !assign (resid 5 and name HA) (resid 5 and name HN ) 4.3 0.9 0.9 !omitted: overlap !assign (resid 5 and name HA) (resid 5 and name HZ2 ) 4.5 0.9 0.9 !assign (resid 5 and name HA) (resid 5 and name HZ3 ) 4.7 0.9 0.9 assign ((resid 5 and name HB1) or (resid 5 and name HB2)) (resid 5 and name HA ) 2.6 0.5 0.5 assign ((resid 5 and name HB1) or (resid 5 and name HB2)) (resid 5 and name HD1 ) 3.2 0.6 0.6 assign ((resid 5 and name HB1) or (resid 5 and name HB2)) (resid 5 and name HE3 ) 3.2 0.6 0.6 assign ((resid 5 and name HB1) or (resid 5 and name HB2)) (resid 5 and name HN ) 4.1 4.1 0.8 !assign (resid 5 and name HB1) (resid 5 and name HZ2 ) 6.1 1.2 1.2 !assign (resid 5 and name HB1) (resid 5 and name HZ3 ) 5.2 1.0 1.0 !assign (resid 5 and name HB2) (resid 5 and name HA ) 2.6 0.5 0.5 !assign (resid 5 and name HB2) (resid 5 and name HD1 ) 3.1 0.6 0.6 !assign (resid 5 and name HB2) (resid 5 and name HE3 ) 3.3 0.7 0.7 !assign (resid 5 and name HB2) (resid 5 and name HH2 ) 5.1 1.0 1.0 !assign (resid 5 and name HB2) (resid 5 and name HN ) 4.1 0.8 0.8 !assign (resid 5 and name HB2) (resid 5 and name HZ2 ) 7.4 1.5 1.5 !assign (resid 5 and name HB2) (resid 5 and name HZ3 ) 4.8 1.0 1.0 !assign (resid 5 and name HH2) (resid 5 and name HE3 ) 3.0 0.6 0.6 !assign (resid 5 and name HZ3) (resid 5 and name HE3 ) 2.5 0.5 0.5 !assign (resid 5 and name HZ3) (resid 5 and name HZ2 ) 2.8 0.6 0.6 assign (resid 6 and name HB1) (resid 6 and name HA ) 2.5 0.5 0.5 assign (resid 6 and name HB1) (resid 6 and name HD1 ) 3.7 0.7 0.7 assign (resid 6 and name HB1) (resid 6 and name HD2 ) 4.0 0.8 0.8 assign (resid 6 and name HB2) (resid 6 and name HA ) 2.8 0.6 0.6 assign (resid 6 and name HB2) (resid 6 and name HB1 ) 2.0 0.4 0.4 assign (resid 6 and name HB2) (resid 6 and name HD1 ) 2.9 0.6 0.6 assign (resid 6 and name HB2) (resid 6 and name HD2 ) 3.5 0.7 0.7 assign (resid 6 and name HD1) (resid 6 and name HA ) 3.4 0.7 0.7 assign (resid 6 and name HD2) (resid 6 and name HA ) 3.6 0.7 0.7 assign (resid 6 and name HD2) (resid 6 and name HD1 ) 1.8 0.4 0.4 assign ((resid 6 and name HG1) or (resid 6 and name HG2)) (resid 6 and name HA ) 3.0 0.6 0.6 assign (resid 6 and name HG1) (resid 6 and name HB2 ) 2.8 0.6 0.6 assign (resid 6 and name HG1) (resid 6 and name HD1 ) 2.9 0.6 0.6 assign (resid 6 and name HG1) (resid 6 and name HD2 ) 2.8 0.6 0.6 assign (resid 6 and name HG1) (resid 6 and name HG2 ) 2.0 0.4 0.4 !assign (resid 6 and name HG2) (resid 6 and name HA ) 2.6 0.5 0.5 assign (resid 6 and name HG2) (resid 6 and name HB1 ) 2.5 0.5 0.5 assign (resid 6 and name HG2) (resid 6 and name HD1 ) 2.7 0.5 0.5 assign (resid 6 and name HG2) (resid 6 and name HD2 ) 2.8 0.6 0.6 !assign (resid 7 and name HA) (resid 7 and name HD# ) 3.0 0.6 0.6 assign (resid 7 and name HA) (resid 7 and name HN ) 2.8 0.6 0.6 assign (resid 7 and name HB1) (resid 7 and name HA ) 2.6 0.5 0.5 !assign (resid 7 and name HB1) (resid 7 and name HD# ) 2.9 0.6 0.6 assign (resid 7 and name HB1) (resid 7 and name HN ) 2.7 0.5 0.5 assign (resid 7 and name HB2) (resid 7 and name HA ) 2.6 0.5 0.5 !assign (resid 7 and name HB2) (resid 7 and name HD# ) 3.0 0.6 0.6 assign (resid 7 and name HB2) (resid 7 and name HN ) 2.7 0.5 0.5 assign (resid 8 and name HA) (resid 8 and name HN ) 2.4 0.5 0.5 assign (resid 8 and name HB) (resid 8 and name HA ) 2.9 0.6 0.6 assign (resid 8 and name HB) (resid 8 and name HN ) 2.3 0.5 0.5 !assign (resid 8 and name HG1#) (resid 8 and name HA ) 2.2 0.4 0.4 !assign (resid 8 and name HG1#) (resid 8 and name HB ) 2.2 0.4 0.4 !assign (resid 8 and name HG1#) (resid 8 and name HN ) 2.2 0.4 0.4 !assign (resid 8 and name HG2#) (resid 8 and name HA ) 2.4 0.5 0.5 !assign (resid 8 and name HG2#) (resid 8 and name HB ) 2.2 0.4 0.4 !assign (resid 8 and name HG2#) (resid 8 and name HN ) 2.7 0.5 0.5 assign ((resid 9 and name HA) or (resid 6 and name HD2)) (resid 9 and name HN ) 2.5 0.5 0.5 assign ((resid 9 and name HB1) or (resid 9 and name HB2)) (resid 9 and name HA ) 2.5 0.5 0.5 !assign ((resid 9 and name HB1) or (resid 9 and name HB2)) (resid 9 and name HN ) 2.5 0.5 0.5 !omitted !assign (resid 9 and name HD1#) (resid 9 and name HA ) 2.7 0.5 0.5 !assign (resid 9 and name HD1#) (resid 9 and name HN ) 3.1 0.6 0.6 !assign (resid 9 and name HD2#) (resid 9 and name HA ) 2.2 0.4 0.4 !assign (resid 9 and name HD2#) (resid 9 and name HN ) 3.2 0.6 0.6 assign (resid 10 and name HA) (resid 10 and name HN ) 2.8 0.6 0.6 assign ((resid 10 and name HB1) or (resid 10 and name HB2)) (resid 10 and name HA ) 2.6 0.5 0.5 !assign ((resid 10 and name HB1) or (resid 10 and name HB2)) (resid 10 and name HN ) 2.9 0.6 0.6 !omitted assign (resid 11 and name HA) (resid 11 and name HN ) 2.7 0.5 0.5 assign (resid 11 and name HB) (resid 11 and name HA ) 2.7 0.5 0.5 assign (resid 11 and name HB) (resid 11 and name HN ) 2.6 0.5 0.5 !assign (resid 11 and name HD1#) (resid 11 and name HA ) 2.4 0.5 0.5 !assign (resid 11 and name HD1#) (resid 11 and name HG12 ) 2.3 0.5 0.5 !assign (resid 11 and name HD1#) (resid 11 and name HN ) 3.4 0.7 0.7 assign (resid 11 and name HG11) (resid 11 and name HA ) 3.7 0.7 0.7 assign (resid 11 and name HG11) (resid 11 and name HN ) 3.1 0.6 0.6 assign (resid 11 and name HG12) (resid 11 and name HA ) 3.3 0.7 0.7 assign (resid 11 and name HG12) (resid 11 and name HB ) 2.8 0.6 0.6 assign (resid 11 and name HG12) (resid 11 and name HN ) 3.0 0.6 0.6 !assign (resid 11 and name HG2#) (resid 11 and name HA ) 2.4 0.5 0.5 !assign (resid 11 and name HG2#) (resid 11 and name HG12 ) 2.6 0.5 0.5 !assign (resid 11 and name HG2#) (resid 11 and name HN ) 2.8 0.6 0.6 assign (resid 12 and name HA) (resid 12 and name HN ) 2.5 0.5 0.5 !assign (resid 12 and name HG#) (resid 12 and name HA ) 3.2 0.6 0.6 !assign (resid 12 and name HG#) (resid 12 and name HN ) 3.4 0.7 0.7 assign (resid 12 and name HB1) (resid 12 and name HA ) 2.7 0.5 0.5 !assign (resid 12 and name HB1) (resid 12 and name HG# ) 2.6 0.5 0.5 assign (resid 12 and name HB1) (resid 12 and name HN ) 2.6 0.5 0.5 assign (resid 12 and name HB2) (resid 12 and name HA ) 2.9 0.6 0.6 assign (resid 12 and name HB2) (resid 12 and name HB1 ) 2.1 0.4 0.4 !assign (resid 12 and name HB2) (resid 12 and name HG# ) 2.8 0.6 0.6 assign (resid 12 and name HB2) (resid 12 and name HN ) 3.0 0.6 0.6 assign (resid 13 and name HB1) (resid 13 and name HA ) 2.4 0.5 0.5 assign (resid 13 and name HB1) (resid 13 and name HD1 ) 2.8 0.6 0.6 assign (resid 13 and name HB1) (resid 13 and name HD2 ) 2.9 0.6 0.6 assign (resid 13 and name HB2) (resid 13 and name HA ) 2.6 0.5 0.5 assign (resid 13 and name HB2) (resid 13 and name HB1 ) 1.9 0.4 0.4 assign (resid 13 and name HB2) (resid 13 and name HD1 ) 3.5 0.7 0.7 !assign (resid 13 and name HB2) (resid 13 and name HD2 ) 2.7 0.5 0.5 assign (resid 13 and name HB2) (resid 13 and name HG2 ) 2.5 0.5 0.5 !assign (resid 13 and name HG1) (resid 13 and name HA ) 2.5 0.5 0.5 assign (resid 13 and name HG1) (resid 13 and name HB1 ) 2.4 0.5 0.5 assign (resid 13 and name HG1) (resid 13 and name HD1 ) 2.7 0.5 0.5 assign (resid 13 and name HG1) (resid 13 and name HD2 ) 2.9 0.6 0.6 assign (resid 13 and name HG1) (resid 13 and name HG2 ) 1.9 0.4 0.4 assign ((resid 13 and name HG2) or (resid 13 and name HG1)) (resid 13 and name HA ) 3.1 0.6 0.6 assign (resid 13 and name HG2) (resid 13 and name HD1 ) 2.7 0.5 0.5 assign (resid 13 and name HG2) (resid 13 and name HD2 ) 2.6 0.5 0.5 assign (resid 13 and name HD1) (resid 13 and name HA ) 3.0 0.6 0.6 assign (resid 13 and name HD2) (resid 13 and name HA ) 3.3 0.7 0.7 assign (resid 13 and name HD2) (resid 13 and name HD1 ) 2.0 0.4 0.4 assign (resid 14 and name HA) (resid 14 and name HN ) 2.4 0.5 0.5 assign (resid 14 and name HB1) (resid 14 and name HA ) 2.7 0.5 0.5 !assign (resid 14 and name HB1) (resid 14 and name HN ) 2.7 0.5 0.5 assign (resid 14 and name HB2) (resid 14 and name HA ) 2.2 0.4 0.4 !assign (resid 14 and name HB2) (resid 14 and name HN ) 2.2 0.4 0.4 assign (resid 15 and name HA) (resid 15 and name HN ) 2.8 0.6 0.6 assign (resid 15 and name HB) (resid 15 and name HA ) 3.4 0.7 0.7 assign (resid 15 and name HB) (resid 15 and name HN ) 2.5 0.5 0.5 !assign (resid 15 and name HG1#) (resid 15 and name HA ) 2.1 0.4 0.4 !assign (resid 15 and name HG1#) (resid 15 and name HB ) 2.2 0.4 0.4 !assign (resid 15 and name HG1#) (resid 15 and name HN ) 2.3 0.5 0.5 !assign (resid 15 and name HG2#) (resid 15 and name HA ) 2.3 0.5 0.5 !assign (resid 15 and name HG2#) (resid 15 and name HB ) 2.2 0.4 0.4 !assign (resid 15 and name HG2#) (resid 15 and name HN ) 3.0 0.6 0.6 assign (resid 16 and name HA) (resid 16 and name HN ) 2.7 0.5 0.5 assign (resid 16 and name HB) (resid 16 and name HA ) 2.9 0.6 0.6 assign (resid 16 and name HB) (resid 16 and name HN ) 2.5 0.5 0.5 !assign (resid 16 and name HD1#) (resid 16 and name HA ) 2.8 0.6 0.6 !assign (resid 16 and name HD1#) (resid 16 and name HN ) 3.0 0.6 0.6 assign (resid 16 and name HG11) (resid 16 and name HA ) 2.8 0.6 0.6 assign (resid 16 and name HG11) (resid 16 and name HN ) 2.7 0.5 0.5 assign (resid 16 and name HG12) (resid 16 and name HA ) 2.7 0.5 0.5 assign (resid 16 and name HG12) (resid 16 and name HB ) 2.7 0.5 0.5 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HG11 ) 2.0 0.4 0.4 assign (resid 16 and name HG12) (resid 16 and name HN ) 3.0 0.6 0.6 !assign (resid 16 and name HG2#) (resid 16 and name HA ) 2.4 0.5 0.5 !assign (resid 16 and name HG2#) (resid 16 and name HN ) 3.0 0.6 0.6 assign (resid 17 and name HA) (resid 17 and name HD1 ) 3.6 0.7 0.7 assign (resid 17 and name HA) (resid 17 and name HE3 ) 2.5 0.5 0.5 !assign (resid 17 and name HA) (resid 17 and name HH2 ) 3.6 0.7 0.7 assign (resid 17 and name HA) (resid 17 and name HN ) 2.6 0.5 0.5 !assign (resid 17 and name HA) (resid 17 and name HZ2 ) 3.2 0.6 0.6 !assign (resid 17 and name HA) (resid 17 and name HZ3 ) 5.1 1.0 1.0 assign (resid 17 and name HB1) (resid 17 and name HA ) 2.3 0.5 0.5 assign (resid 17 and name HB1) (resid 17 and name HD1 ) 3.6 0.7 0.7 assign (resid 17 and name HB1) (resid 17 and name HE3 ) 3.1 0.6 0.6 !assign (resid 17 and name HB1) (resid 17 and name HH2 ) 3.7 0.7 0.7 assign (resid 17 and name HB1) (resid 17 and name HN ) 2.7 0.5 0.5 !assign (resid 17 and name HB1) (resid 17 and name HZ3 ) 5.4 1.1 1.1 assign (resid 17 and name HB2) (resid 17 and name HA ) 2.3 0.5 0.5 assign (resid 17 and name HB2) (resid 17 and name HB1 ) 1.9 0.4 0.4 assign (resid 17 and name HB2) (resid 17 and name HD1 ) 4.1 0.8 0.8 assign (resid 17 and name HB2) (resid 17 and name HE3 ) 3.2 0.6 0.6 !assign (resid 17 and name HB2) (resid 17 and name HH2 ) 3.5 0.7 0.7 assign (resid 17 and name HB2) (resid 17 and name HN ) 2.5 0.5 0.5 !assign (resid 17 and name HB2) (resid 17 and name HZ2 ) 4.5 0.9 0.9 !assign (resid 17 and name HB2) (resid 17 and name HZ3 ) 4.4 0.9 0.9 !assign (resid 17 and name HD1) (resid 17 and name HE3 ) 4.2 0.8 0.8 !assign (resid 17 and name HH2) (resid 17 and name HE3 ) 3.2 0.6 0.6 !assign (resid 17 and name HZ2) (resid 17 and name HE3 ) 3.6 0.7 0.7 !assign (resid 17 and name HZ3) (resid 17 and name HE3 ) 2.2 0.4 0.4 !assign (resid 17 and name HZ3) (resid 17 and name HZ2 ) 3.2 0.6 0.6 assign (resid 18 and name HA) (resid 18 and name HN ) 2.7 0.5 0.5 assign (resid 18 and name HB) (resid 18 and name HA ) 2.9 0.6 0.6 assign (resid 18 and name HB) (resid 18 and name HN ) 2.6 0.5 0.5 !assign (resid 18 and name HG1#) (resid 18 and name HA ) 2.6 0.5 0.5 !assign (resid 18 and name HG1#) (resid 18 and name HB ) 2.3 0.5 0.5 !assign (resid 18 and name HG1#) (resid 18 and name HG2# ) 2.2 0.4 0.4 !assign (resid 18 and name HG1#) (resid 18 and name HN ) 3.3 0.7 0.7 !assign (resid 18 and name HG2#) (resid 18 and name HA ) 2.4 0.5 0.5 !assign (resid 18 and name HG2#) (resid 18 and name HN ) 2.6 0.5 0.5 !assign (resid 19 and name HA) (resid 19 and name HD# ) 3.0 0.6 0.6 !assign (resid 19 and name HA) (resid 19 and name HE# ) 4.4 0.9 0.9 assign (resid 19 and name HA) (resid 19 and name HN ) 3.0 0.6 0.6 assign (resid 19 and name HB1) (resid 19 and name HA ) 2.8 0.6 0.6 assign (resid 19 and name HB1) (resid 19 and name HB2 ) 1.9 0.4 0.4 !assign (resid 19 and name HB1) (resid 19 and name HD# ) 2.9 0.6 0.6 !assign (resid 19 and name HB1) (resid 19 and name HE# ) 4.7 0.9 0.9 assign (resid 19 and name HB1) (resid 19 and name HN ) 2.8 0.6 0.6 assign (resid 19 and name HB2) (resid 19 and name HA ) 2.6 0.5 0.5 !assign (resid 19 and name HB2) (resid 19 and name HD# ) 3.0 0.6 0.6 !assign (resid 19 and name HB2) (resid 19 and name HE# ) 5.4 1.1 1.1 assign (resid 19 and name HB2) (resid 19 and name HN ) 3.1 0.6 0.6 !assign (resid 19 and name HD#) (resid 19 and name HN ) 3.0 0.6 0.6 !assign (resid 19 and name HE#) (resid 19 and name HD# ) 1.9 0.4 0.4 assign (resid 20 and name HA) (resid 20 and name HN ) 3.0 1.0 1.0 !assign (resid 20 and name HB#) (resid 20 and name HA ) 2.7 0.5 0.5 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 HT1 ASP 1 29.953 -3.180 2.268 2 H2 ASP 1 HT2 ASP 1 29.982 -1.532 2.674 3 H3 ASP 1 HT3 ASP 1 28.851 -2.570 3.405 4 HA ASP 1 HA ASP 1 31.715 -2.228 3.978 5 HB2 ASP 1 HB2 ASP 1 29.920 -1.230 5.370 6 HB3 ASP 1 HB1 ASP 1 29.165 -2.815 5.543 7 H GLY 2 HN GLY 2 32.708 -3.965 5.331 8 HA2 GLY 2 HA2 GLY 2 31.681 -6.709 4.716 9 HA3 GLY 2 HA1 GLY 2 33.375 -6.313 4.434 10 H ILE 3 HN ILE 3 32.246 -4.620 7.134 11 HA ILE 3 HA ILE 3 33.669 -6.456 8.975 12 HB ILE 3 HB ILE 3 32.728 -3.604 9.015 13 HG12 ILE 3 HG12 ILE 3 35.504 -4.364 9.696 14 HG13 ILE 3 HG11 ILE 3 35.012 -4.714 8.038 15 HG21 ILE 3 HG21 ILE 3 33.774 -5.278 11.297 16 HG22 ILE 3 HG22 ILE 3 32.331 -4.261 11.264 17 HG23 ILE 3 HG23 ILE 3 33.932 -3.521 11.280 18 HD11 ILE 3 HD11 ILE 3 34.042 -2.271 8.106 19 HD12 ILE 3 HD12 ILE 3 35.770 -2.513 7.846 20 HD13 ILE 3 HD13 ILE 3 35.174 -2.063 9.444 21 H SER 4 HN SER 4 30.632 -4.527 9.017 22 HA SER 4 HA SER 4 29.502 -6.320 11.084 23 HB2 SER 4 HB2 SER 4 29.234 -3.782 10.949 24 HB3 SER 4 HB1 SER 4 28.164 -4.059 9.575 25 HG SER 4 HG SER 4 27.723 -4.422 12.255 26 H TRP 5 HN TRP 5 29.551 -8.252 9.690 27 HA TRP 5 HA TRP 5 28.271 -8.597 7.230 28 HB2 TRP 5 HB2 TRP 5 28.854 -10.332 9.594 29 HB3 TRP 5 HB1 TRP 5 27.939 -11.002 8.242 30 HD1 TRP 5 HD1 TRP 5 30.800 -8.443 7.955 31 HE1 TRP 5 HE1 TRP 5 32.687 -9.473 6.538 32 HE3 TRP 5 HE3 TRP 5 28.961 -13.171 7.361 33 HZ2 TRP 5 HZ2 TRP 5 33.332 -11.979 5.316 34 HZ3 TRP 5 HZ3 TRP 5 30.234 -14.859 6.067 35 HH2 TRP 5 HH2 TRP 5 32.414 -14.270 5.044 36 HA PRO 6 HA PRO 6 24.167 -9.572 9.545 37 HB2 PRO 6 HB2 PRO 6 23.925 -8.380 11.996 38 HB3 PRO 6 HB1 PRO 6 24.454 -10.047 11.769 39 HG2 PRO 6 HG2 PRO 6 26.053 -7.575 12.200 40 HG3 PRO 6 HG1 PRO 6 26.257 -9.188 12.904 41 HD2 PRO 6 HD2 PRO 6 27.801 -8.353 10.892 42 HD3 PRO 6 HD1 PRO 6 27.255 -10.024 10.993 43 H PHE 7 HN PHE 7 25.708 -6.393 10.295 44 HA PHE 7 HA PHE 7 23.343 -4.806 9.844 45 HB2 PHE 7 HB2 PHE 7 25.543 -4.087 10.889 46 HB3 PHE 7 HB1 PHE 7 26.247 -4.098 9.273 47 HD1 PHE 7 HD2 PHE 7 23.128 -2.813 10.940 48 HD2 PHE 7 HD1 PHE 7 26.338 -2.041 8.190 49 HE1 PHE 7 HE2 PHE 7 22.233 -0.538 10.533 50 HE2 PHE 7 HE1 PHE 7 25.444 0.236 7.786 51 HZ PHE 7 HZ PHE 7 23.390 0.986 8.957 52 H VAL 8 HN VAL 8 25.996 -5.868 7.671 53 HA VAL 8 HA VAL 8 24.886 -4.696 5.262 54 HB VAL 8 HB VAL 8 26.823 -6.968 5.839 55 HG11 VAL 8 HG11 VAL 8 27.517 -6.638 3.433 56 HG12 VAL 8 HG12 VAL 8 26.067 -5.657 3.211 57 HG13 VAL 8 HG13 VAL 8 25.923 -7.364 3.633 58 HG21 VAL 8 HG21 VAL 8 28.428 -5.163 4.916 59 HG22 VAL 8 HG22 VAL 8 27.779 -4.906 6.536 60 HG23 VAL 8 HG23 VAL 8 27.097 -4.032 5.164 61 H LEU 9 HN LEU 9 24.516 -7.811 6.916 62 HA LEU 9 HA LEU 9 23.195 -9.369 4.969 63 HB2 LEU 9 HB2 LEU 9 23.929 -9.731 7.501 64 HB3 LEU 9 HB1 LEU 9 22.235 -9.352 7.809 65 HG LEU 9 HG LEU 9 22.262 -11.144 5.616 66 HD11 LEU 9 HD11 LEU 9 24.550 -11.763 6.249 67 HD12 LEU 9 HD12 LEU 9 23.437 -13.084 6.605 68 HD13 LEU 9 HD13 LEU 9 24.026 -12.053 7.908 69 HD21 LEU 9 HD21 LEU 9 21.392 -12.689 7.594 70 HD22 LEU 9 HD22 LEU 9 20.439 -11.313 7.038 71 HD23 LEU 9 HD23 LEU 9 21.425 -11.171 8.493 72 H LEU 10 HN LEU 10 21.856 -6.879 7.145 73 HA LEU 10 HA LEU 10 19.151 -7.186 5.936 74 HB2 LEU 10 HB2 LEU 10 20.139 -6.650 8.472 75 HB3 LEU 10 HB1 LEU 10 19.636 -5.055 7.909 76 HG LEU 10 HG LEU 10 17.586 -6.836 7.120 77 HD11 LEU 10 HD11 LEU 10 18.174 -7.169 10.065 78 HD12 LEU 10 HD12 LEU 10 18.709 -8.346 8.867 79 HD13 LEU 10 HD13 LEU 10 16.988 -8.029 9.085 80 HD21 LEU 10 HD21 LEU 10 16.322 -5.205 8.070 81 HD22 LEU 10 HD22 LEU 10 17.854 -4.365 8.313 82 HD23 LEU 10 HD23 LEU 10 17.161 -5.330 9.616 83 H ILE 11 HN ILE 11 21.864 -4.869 6.067 84 HA ILE 11 HA ILE 11 20.512 -2.641 4.857 85 HB ILE 11 HB ILE 11 23.370 -3.583 5.104 86 HG12 ILE 11 HG12 ILE 11 22.124 -2.612 7.061 87 HG13 ILE 11 HG11 ILE 11 23.546 -1.677 6.604 88 HG21 ILE 11 HG21 ILE 11 22.317 -1.218 3.549 89 HG22 ILE 11 HG22 ILE 11 23.496 -2.425 3.036 90 HG23 ILE 11 HG23 ILE 11 23.938 -1.218 4.243 91 HD11 ILE 11 HD11 ILE 11 22.298 0.140 6.121 92 HD12 ILE 11 HD12 ILE 11 20.939 -0.695 6.872 93 HD13 ILE 11 HD13 ILE 11 21.189 -0.807 5.130 94 H MET 12 HN MET 12 22.373 -5.353 3.402 95 HA MET 12 HA MET 12 22.329 -4.508 0.704 96 HB2 MET 12 HB2 MET 12 23.608 -6.418 1.613 97 HB3 MET 12 HB1 MET 12 22.111 -7.308 1.860 98 HG2 MET 12 HG2 MET 12 22.656 -8.157 -0.207 99 HG3 MET 12 HG1 MET 12 21.804 -6.710 -0.744 100 HE1 MET 12 HE1 MET 12 22.538 -6.662 -2.732 101 HE2 MET 12 HE2 MET 12 24.145 -6.364 -3.384 102 HE3 MET 12 HE3 MET 12 23.236 -5.039 -2.664 103 HA PRO 13 HA PRO 13 18.176 -6.797 0.039 104 HB2 PRO 13 HB2 PRO 13 16.702 -7.433 2.257 105 HB3 PRO 13 HB1 PRO 13 17.894 -8.526 1.535 106 HG2 PRO 13 HG2 PRO 13 18.209 -6.723 3.862 107 HG3 PRO 13 HG1 PRO 13 18.704 -8.414 3.667 108 HD2 PRO 13 HD2 PRO 13 20.422 -6.408 3.398 109 HD3 PRO 13 HD1 PRO 13 20.566 -7.862 2.412 110 H LEU 14 HN LEU 14 18.772 -4.369 2.451 111 HA LEU 14 HA LEU 14 16.149 -3.127 2.492 112 HB2 LEU 14 HB2 LEU 14 18.206 -2.881 4.073 113 HB3 LEU 14 HB1 LEU 14 18.801 -1.725 2.881 114 HG LEU 14 HG LEU 14 16.003 -1.229 3.506 115 HD11 LEU 14 HD11 LEU 14 17.972 -1.004 5.803 116 HD12 LEU 14 HD12 LEU 14 16.714 -2.235 5.687 117 HD13 LEU 14 HD13 LEU 14 16.273 -0.533 5.819 118 HD21 LEU 14 HD21 LEU 14 16.786 1.020 3.705 119 HD22 LEU 14 HD22 LEU 14 17.774 0.284 2.443 120 HD23 LEU 14 HD23 LEU 14 18.428 0.493 4.068 121 H VAL 15 HN VAL 15 19.113 -2.640 0.595 122 HA VAL 15 HA VAL 15 18.065 -0.473 -1.058 123 HB VAL 15 HB VAL 15 20.223 -2.464 -1.802 124 HG11 VAL 15 HG11 VAL 15 19.519 -0.706 -3.432 125 HG12 VAL 15 HG12 VAL 15 21.204 -0.543 -2.938 126 HG13 VAL 15 HG13 VAL 15 19.979 0.527 -2.257 127 HG21 VAL 15 HG21 VAL 15 21.013 -1.928 0.337 128 HG22 VAL 15 HG22 VAL 15 20.252 -0.337 0.331 129 HG23 VAL 15 HG23 VAL 15 21.716 -0.617 -0.611 130 H ILE 16 HN ILE 16 18.372 -3.995 -1.325 131 HA ILE 16 HA ILE 16 17.612 -4.415 -3.981 132 HB ILE 16 HB ILE 16 17.089 -5.960 -1.423 133 HG12 ILE 16 HG12 ILE 16 19.054 -6.345 -3.705 134 HG13 ILE 16 HG11 ILE 16 19.453 -5.677 -2.128 135 HG21 ILE 16 HG21 ILE 16 15.410 -6.739 -2.965 136 HG22 ILE 16 HG22 ILE 16 16.714 -7.927 -2.985 137 HG23 ILE 16 HG23 ILE 16 16.564 -6.760 -4.299 138 HD11 ILE 16 HD11 ILE 16 19.925 -7.810 -1.532 139 HD12 ILE 16 HD12 ILE 16 19.079 -8.473 -2.931 140 HD13 ILE 16 HD13 ILE 16 18.178 -8.043 -1.478 141 H TRP 17 HN TRP 17 15.364 -4.507 -1.162 142 HA TRP 17 HA TRP 17 12.960 -4.560 -2.649 143 HB2 TRP 17 HB2 TRP 17 12.132 -4.713 -0.600 144 HB3 TRP 17 HB1 TRP 17 13.732 -4.534 0.018 145 HD1 TRP 17 HD1 TRP 17 14.237 -2.305 1.317 146 HE1 TRP 17 HE1 TRP 17 12.860 -0.197 1.879 147 HE3 TRP 17 HE3 TRP 17 10.422 -3.071 -1.763 148 HZ2 TRP 17 HZ2 TRP 17 10.380 1.012 1.038 149 HZ3 TRP 17 HZ3 TRP 17 8.510 -1.466 -1.944 150 HH2 TRP 17 HH2 TRP 17 8.502 0.591 -0.543 151 H VAL 18 HN VAL 18 14.631 -1.783 -1.216 152 HA VAL 18 HA VAL 18 12.851 0.204 -1.900 153 HB VAL 18 HB VAL 18 15.816 0.015 -1.511 154 HG11 VAL 18 HG11 VAL 18 14.384 2.400 -2.686 155 HG12 VAL 18 HG12 VAL 18 15.899 1.664 -3.210 156 HG13 VAL 18 HG13 VAL 18 15.841 2.594 -1.712 157 HG21 VAL 18 HG21 VAL 18 14.669 0.217 0.508 158 HG22 VAL 18 HG22 VAL 18 13.435 1.274 -0.181 159 HG23 VAL 18 HG23 VAL 18 15.047 1.904 0.162 160 H TYR 19 HN TYR 19 15.429 -1.191 -3.955 161 HA TYR 19 HA TYR 19 14.702 0.488 -6.271 162 HB2 TYR 19 HB2 TYR 19 17.029 -0.347 -5.665 163 HB3 TYR 19 HB1 TYR 19 16.486 -1.966 -6.110 164 HD1 TYR 19 HD1 TYR 19 15.934 -2.522 -8.444 165 HD2 TYR 19 HD2 TYR 19 17.358 1.383 -7.347 166 HE1 TYR 19 HE1 TYR 19 16.380 -2.011 -10.830 167 HE2 TYR 19 HE2 TYR 19 17.801 1.888 -9.736 168 HH TYR 19 HH TYR 19 16.522 0.452 -12.179 169 H SER 20 HN SER 20 14.416 -2.953 -5.317 170 HA SER 20 HA SER 20 13.008 -4.668 -6.101 171 HB2 SER 20 HB2 SER 20 11.483 -2.110 -6.560 172 HB3 SER 20 HB1 SER 20 10.779 -3.653 -7.030 173 HG SER 20 HG SER 20 11.677 -2.834 -4.444 Start of MODEL 2 1 H1 ASP 1 HT1 ASP 1 36.885 -10.961 8.151 2 H2 ASP 1 HT2 ASP 1 35.996 -11.157 6.711 3 H3 ASP 1 HT3 ASP 1 35.191 -10.839 8.178 4 HA ASP 1 HA ASP 1 36.527 -8.662 8.234 5 HB2 ASP 1 HB2 ASP 1 37.346 -8.004 5.980 6 HB3 ASP 1 HB1 ASP 1 38.076 -9.544 6.441 7 H GLY 2 HN GLY 2 35.463 -6.751 6.848 8 HA2 GLY 2 HA2 GLY 2 33.483 -6.098 5.506 9 HA3 GLY 2 HA1 GLY 2 32.645 -7.504 6.162 10 H ILE 3 HN ILE 3 31.989 -4.562 6.288 11 HA ILE 3 HA ILE 3 32.312 -3.764 9.079 12 HB ILE 3 HB ILE 3 30.552 -2.731 6.865 13 HG12 ILE 3 HG12 ILE 3 32.912 -2.649 6.227 14 HG13 ILE 3 HG11 ILE 3 32.346 -1.020 6.587 15 HG21 ILE 3 HG21 ILE 3 29.650 -1.639 8.673 16 HG22 ILE 3 HG22 ILE 3 31.034 -0.579 8.401 17 HG23 ILE 3 HG23 ILE 3 31.112 -1.830 9.642 18 HD11 ILE 3 HD11 ILE 3 34.452 -1.232 7.694 19 HD12 ILE 3 HD12 ILE 3 34.034 -2.820 8.336 20 HD13 ILE 3 HD13 ILE 3 33.229 -1.378 8.957 21 H SER 4 HN SER 4 31.356 -5.714 10.090 22 HA SER 4 HA SER 4 29.588 -6.779 11.237 23 HB2 SER 4 HB2 SER 4 29.024 -4.377 11.685 24 HB3 SER 4 HB1 SER 4 28.008 -4.386 10.247 25 HG SER 4 HG SER 4 27.318 -5.114 12.656 26 H TRP 5 HN TRP 5 29.351 -8.601 9.921 27 HA TRP 5 HA TRP 5 28.234 -8.768 7.353 28 HB2 TRP 5 HB2 TRP 5 28.596 -10.602 9.672 29 HB3 TRP 5 HB1 TRP 5 27.628 -11.170 8.310 30 HD1 TRP 5 HD1 TRP 5 30.839 -9.015 8.338 31 HE1 TRP 5 HE1 TRP 5 32.593 -10.137 6.814 32 HE3 TRP 5 HE3 TRP 5 28.268 -13.226 7.026 33 HZ2 TRP 5 HZ2 TRP 5 32.854 -12.515 5.249 34 HZ3 TRP 5 HZ3 TRP 5 29.295 -14.905 5.517 35 HH2 TRP 5 HH2 TRP 5 31.583 -14.555 4.628 36 HA PRO 6 HA PRO 6 23.940 -9.622 9.374 37 HB2 PRO 6 HB2 PRO 6 23.619 -8.530 11.865 38 HB3 PRO 6 HB1 PRO 6 24.072 -10.211 11.587 39 HG2 PRO 6 HG2 PRO 6 25.775 -7.847 12.209 40 HG3 PRO 6 HG1 PRO 6 25.853 -9.494 12.859 41 HD2 PRO 6 HD2 PRO 6 27.552 -8.683 10.977 42 HD3 PRO 6 HD1 PRO 6 26.895 -10.318 10.960 43 H PHE 7 HN PHE 7 25.666 -6.610 10.194 44 HA PHE 7 HA PHE 7 23.423 -4.824 9.805 45 HB2 PHE 7 HB2 PHE 7 25.635 -4.325 10.932 46 HB3 PHE 7 HB1 PHE 7 26.395 -4.359 9.342 47 HD1 PHE 7 HD1 PHE 7 23.551 -2.733 11.171 48 HD2 PHE 7 HD2 PHE 7 26.524 -2.393 8.089 49 HE1 PHE 7 HE1 PHE 7 22.902 -0.367 10.805 50 HE2 PHE 7 HE2 PHE 7 25.875 -0.027 7.725 51 HZ PHE 7 HZ PHE 7 24.065 0.985 9.083 52 H VAL 8 HN VAL 8 26.103 -5.897 7.665 53 HA VAL 8 HA VAL 8 25.095 -4.625 5.264 54 HB VAL 8 HB VAL 8 26.944 -6.973 5.821 55 HG11 VAL 8 HG11 VAL 8 27.741 -6.552 3.457 56 HG12 VAL 8 HG12 VAL 8 26.316 -5.537 3.227 57 HG13 VAL 8 HG13 VAL 8 26.128 -7.256 3.570 58 HG21 VAL 8 HG21 VAL 8 27.264 -4.011 5.476 59 HG22 VAL 8 HG22 VAL 8 28.555 -5.064 4.897 60 HG23 VAL 8 HG23 VAL 8 28.081 -5.103 6.596 61 H LEU 9 HN LEU 9 24.644 -7.804 6.776 62 HA LEU 9 HA LEU 9 23.302 -9.237 4.739 63 HB2 LEU 9 HB2 LEU 9 24.059 -9.759 7.233 64 HB3 LEU 9 HB1 LEU 9 22.378 -9.369 7.592 65 HG LEU 9 HG LEU 9 22.383 -11.048 5.293 66 HD11 LEU 9 HD11 LEU 9 23.389 -13.081 6.631 67 HD12 LEU 9 HD12 LEU 9 24.318 -11.826 7.453 68 HD13 LEU 9 HD13 LEU 9 24.459 -12.027 5.707 69 HD21 LEU 9 HD21 LEU 9 20.865 -12.282 6.559 70 HD22 LEU 9 HD22 LEU 9 20.788 -10.717 7.368 71 HD23 LEU 9 HD23 LEU 9 21.752 -12.023 8.062 72 H LEU 10 HN LEU 10 22.043 -6.808 7.019 73 HA LEU 10 HA LEU 10 19.296 -7.071 5.903 74 HB2 LEU 10 HB2 LEU 10 20.507 -6.416 8.397 75 HB3 LEU 10 HB1 LEU 10 19.646 -4.976 7.855 76 HG LEU 10 HG LEU 10 18.001 -7.257 7.313 77 HD11 LEU 10 HD11 LEU 10 17.928 -8.462 9.268 78 HD12 LEU 10 HD12 LEU 10 18.439 -7.095 10.255 79 HD13 LEU 10 HD13 LEU 10 19.628 -8.000 9.319 80 HD21 LEU 10 HD21 LEU 10 17.112 -5.042 7.664 81 HD22 LEU 10 HD22 LEU 10 17.856 -4.938 9.259 82 HD23 LEU 10 HD23 LEU 10 16.520 -6.057 8.981 83 H ILE 11 HN ILE 11 21.993 -4.726 6.033 84 HA ILE 11 HA ILE 11 20.591 -2.497 4.873 85 HB ILE 11 HB ILE 11 23.476 -3.399 5.024 86 HG12 ILE 11 HG12 ILE 11 22.320 -2.592 7.084 87 HG13 ILE 11 HG11 ILE 11 23.648 -1.538 6.609 88 HG21 ILE 11 HG21 ILE 11 22.288 -1.101 3.505 89 HG22 ILE 11 HG22 ILE 11 23.676 -2.110 3.100 90 HG23 ILE 11 HG23 ILE 11 23.825 -0.860 4.334 91 HD11 ILE 11 HD11 ILE 11 21.840 -0.072 7.118 92 HD12 ILE 11 HD12 ILE 11 20.683 -1.073 6.241 93 HD13 ILE 11 HD13 ILE 11 21.894 -0.145 5.356 94 H MET 12 HN MET 12 22.431 -5.194 3.382 95 HA MET 12 HA MET 12 22.382 -4.310 0.692 96 HB2 MET 12 HB2 MET 12 23.662 -6.233 1.621 97 HB3 MET 12 HB1 MET 12 22.162 -7.135 1.782 98 HG2 MET 12 HG2 MET 12 22.921 -7.902 -0.282 99 HG3 MET 12 HG1 MET 12 21.890 -6.561 -0.780 100 HE1 MET 12 HE1 MET 12 22.984 -5.941 -3.076 101 HE2 MET 12 HE2 MET 12 23.944 -4.483 -2.833 102 HE3 MET 12 HE3 MET 12 22.441 -4.698 -1.940 103 HA PRO 13 HA PRO 13 18.223 -6.602 0.028 104 HB2 PRO 13 HB2 PRO 13 16.764 -7.267 2.247 105 HB3 PRO 13 HB1 PRO 13 17.954 -8.350 1.507 106 HG2 PRO 13 HG2 PRO 13 18.280 -6.563 3.846 107 HG3 PRO 13 HG1 PRO 13 18.769 -8.255 3.639 108 HD2 PRO 13 HD2 PRO 13 20.497 -6.258 3.376 109 HD3 PRO 13 HD1 PRO 13 20.623 -7.700 2.370 110 H LEU 14 HN LEU 14 18.828 -4.199 2.468 111 HA LEU 14 HA LEU 14 16.193 -2.978 2.531 112 HB2 LEU 14 HB2 LEU 14 18.242 -2.739 4.123 113 HB3 LEU 14 HB1 LEU 14 18.833 -1.562 2.949 114 HG LEU 14 HG LEU 14 16.040 -1.071 3.538 115 HD11 LEU 14 HD11 LEU 14 16.707 -0.208 5.935 116 HD12 LEU 14 HD12 LEU 14 17.924 -1.480 5.839 117 HD13 LEU 14 HD13 LEU 14 16.213 -1.887 5.714 118 HD21 LEU 14 HD21 LEU 14 18.614 0.477 3.952 119 HD22 LEU 14 HD22 LEU 14 17.003 1.165 4.159 120 HD23 LEU 14 HD23 LEU 14 17.521 0.594 2.573 121 H VAL 15 HN VAL 15 19.137 -2.513 0.608 122 HA VAL 15 HA VAL 15 18.062 -0.316 -1.009 123 HB VAL 15 HB VAL 15 20.266 -2.264 -1.743 124 HG11 VAL 15 HG11 VAL 15 19.781 0.680 -2.301 125 HG12 VAL 15 HG12 VAL 15 19.646 -0.647 -3.455 126 HG13 VAL 15 HG13 VAL 15 21.221 -0.207 -2.797 127 HG21 VAL 15 HG21 VAL 15 20.264 -0.977 0.688 128 HG22 VAL 15 HG22 VAL 15 21.035 0.236 -0.331 129 HG23 VAL 15 HG23 VAL 15 21.729 -1.380 -0.207 130 H ILE 16 HN ILE 16 18.406 -3.832 -1.257 131 HA ILE 16 HA ILE 16 17.642 -4.231 -3.930 132 HB ILE 16 HB ILE 16 17.230 -5.847 -1.395 133 HG12 ILE 16 HG12 ILE 16 19.163 -6.166 -3.712 134 HG13 ILE 16 HG11 ILE 16 19.570 -5.404 -2.179 135 HG21 ILE 16 HG21 ILE 16 17.232 -7.406 -3.849 136 HG22 ILE 16 HG22 ILE 16 15.887 -6.265 -3.832 137 HG23 ILE 16 HG23 ILE 16 16.076 -7.428 -2.519 138 HD11 ILE 16 HD11 ILE 16 19.504 -7.408 -1.008 139 HD12 ILE 16 HD12 ILE 16 20.077 -7.971 -2.577 140 HD13 ILE 16 HD13 ILE 16 18.379 -8.153 -2.145 141 H TRP 17 HN TRP 17 15.438 -4.585 -1.095 142 HA TRP 17 HA TRP 17 13.001 -4.711 -2.443 143 HB2 TRP 17 HB2 TRP 17 12.268 -4.765 -0.350 144 HB3 TRP 17 HB1 TRP 17 13.884 -4.473 0.179 145 HD1 TRP 17 HD1 TRP 17 14.339 -2.144 1.304 146 HE1 TRP 17 HE1 TRP 17 12.894 -0.066 1.789 147 HE3 TRP 17 HE3 TRP 17 10.438 -3.281 -1.539 148 HZ2 TRP 17 HZ2 TRP 17 10.328 0.977 0.986 149 HZ3 TRP 17 HZ3 TRP 17 8.448 -1.775 -1.738 150 HH2 TRP 17 HH2 TRP 17 8.407 0.371 -0.477 151 H VAL 18 HN VAL 18 14.605 -1.771 -1.288 152 HA VAL 18 HA VAL 18 12.688 0.079 -2.016 153 HB VAL 18 HB VAL 18 15.681 0.071 -1.772 154 HG11 VAL 18 HG11 VAL 18 14.032 2.307 -2.957 155 HG12 VAL 18 HG12 VAL 18 15.556 1.639 -3.543 156 HG13 VAL 18 HG13 VAL 18 15.529 2.633 -2.085 157 HG21 VAL 18 HG21 VAL 18 13.318 1.307 -0.369 158 HG22 VAL 18 HG22 VAL 18 14.942 1.948 -0.113 159 HG23 VAL 18 HG23 VAL 18 14.582 0.271 0.295 160 H TYR 19 HN TYR 19 15.108 -1.511 -4.067 161 HA TYR 19 HA TYR 19 14.290 0.024 -6.473 162 HB2 TYR 19 HB2 TYR 19 16.666 -0.491 -5.975 163 HB3 TYR 19 HB1 TYR 19 16.298 -2.215 -6.017 164 HD1 TYR 19 HD1 TYR 19 16.289 0.897 -8.075 165 HD2 TYR 19 HD2 TYR 19 16.189 -3.399 -8.077 166 HE1 TYR 19 HE1 TYR 19 16.599 0.889 -10.539 167 HE2 TYR 19 HE2 TYR 19 16.498 -3.404 -10.539 168 HH TYR 19 HH TYR 19 15.888 -1.467 -12.467 169 H SER 20 HN SER 20 14.154 -3.319 -5.188 170 HA SER 20 HA SER 20 11.710 -3.909 -6.662 171 HB2 SER 20 HB2 SER 20 14.403 -4.703 -7.710 172 HB3 SER 20 HB1 SER 20 13.068 -5.832 -7.913 173 HG SER 20 HG SER 20 12.808 -3.085 -8.577 Start of MODEL 3 1 H1 ASP 1 HT1 ASP 1 29.202 -0.957 4.871 2 H2 ASP 1 HT2 ASP 1 28.757 -2.446 5.560 3 H3 ASP 1 HT3 ASP 1 29.217 -2.364 3.923 4 HA ASP 1 HA ASP 1 31.480 -1.633 4.643 5 HB2 ASP 1 HB2 ASP 1 31.931 -1.792 7.069 6 HB3 ASP 1 HB1 ASP 1 30.512 -0.766 6.831 7 H GLY 2 HN GLY 2 32.820 -3.525 6.193 8 HA2 GLY 2 HA2 GLY 2 31.824 -6.155 5.165 9 HA3 GLY 2 HA1 GLY 2 33.517 -5.699 5.010 10 H ILE 3 HN ILE 3 32.362 -4.497 7.950 11 HA ILE 3 HA ILE 3 33.611 -6.797 9.390 12 HB ILE 3 HB ILE 3 33.831 -5.147 11.242 13 HG12 ILE 3 HG12 ILE 3 32.956 -2.962 9.376 14 HG13 ILE 3 HG11 ILE 3 31.736 -3.831 10.301 15 HG21 ILE 3 HG21 ILE 3 35.045 -4.950 8.602 16 HG22 ILE 3 HG22 ILE 3 35.797 -4.820 10.192 17 HG23 ILE 3 HG23 ILE 3 35.065 -3.400 9.444 18 HD11 ILE 3 HD11 ILE 3 33.643 -1.827 11.201 19 HD12 ILE 3 HD12 ILE 3 33.740 -3.301 12.164 20 HD13 ILE 3 HD13 ILE 3 32.206 -2.446 12.013 21 H SER 4 HN SER 4 30.615 -4.877 9.210 22 HA SER 4 HA SER 4 29.386 -6.621 11.308 23 HB2 SER 4 HB2 SER 4 29.200 -4.092 11.344 24 HB3 SER 4 HB1 SER 4 28.251 -4.208 9.862 25 HG SER 4 HG SER 4 27.510 -4.669 12.433 26 H TRP 5 HN TRP 5 29.470 -8.458 9.770 27 HA TRP 5 HA TRP 5 28.258 -8.611 7.261 28 HB2 TRP 5 HB2 TRP 5 28.681 -10.530 9.520 29 HB3 TRP 5 HB1 TRP 5 27.866 -11.065 8.050 30 HD1 TRP 5 HD1 TRP 5 30.666 -8.459 7.966 31 HE1 TRP 5 HE1 TRP 5 32.685 -9.441 6.704 32 HE3 TRP 5 HE3 TRP 5 29.078 -13.282 7.387 33 HZ2 TRP 5 HZ2 TRP 5 33.516 -11.944 5.595 34 HZ3 TRP 5 HZ3 TRP 5 30.505 -14.941 6.225 35 HH2 TRP 5 HH2 TRP 5 32.720 -14.279 5.329 36 HA PRO 6 HA PRO 6 24.065 -9.637 9.403 37 HB2 PRO 6 HB2 PRO 6 23.763 -8.523 11.885 38 HB3 PRO 6 HB1 PRO 6 24.268 -10.191 11.619 39 HG2 PRO 6 HG2 PRO 6 25.897 -7.765 12.185 40 HG3 PRO 6 HG1 PRO 6 26.050 -9.405 12.839 41 HD2 PRO 6 HD2 PRO 6 27.673 -8.534 10.910 42 HD3 PRO 6 HD1 PRO 6 27.091 -10.195 10.930 43 H PHE 7 HN PHE 7 25.659 -6.524 10.247 44 HA PHE 7 HA PHE 7 23.336 -4.863 9.810 45 HB2 PHE 7 HB2 PHE 7 25.504 -4.224 10.936 46 HB3 PHE 7 HB1 PHE 7 26.280 -4.241 9.355 47 HD1 PHE 7 HD2 PHE 7 23.166 -2.842 10.935 48 HD2 PHE 7 HD1 PHE 7 26.476 -2.194 8.272 49 HE1 PHE 7 HE2 PHE 7 22.385 -0.525 10.530 50 HE2 PHE 7 HE1 PHE 7 25.694 0.125 7.868 51 HZ PHE 7 HZ PHE 7 23.649 0.959 8.997 52 H VAL 8 HN VAL 8 26.043 -5.858 7.679 53 HA VAL 8 HA VAL 8 25.026 -4.630 5.267 54 HB VAL 8 HB VAL 8 26.895 -6.950 5.875 55 HG11 VAL 8 HG11 VAL 8 25.842 -5.932 3.301 56 HG12 VAL 8 HG12 VAL 8 26.542 -7.503 3.691 57 HG13 VAL 8 HG13 VAL 8 27.594 -6.124 3.373 58 HG21 VAL 8 HG21 VAL 8 27.182 -4.159 6.100 59 HG22 VAL 8 HG22 VAL 8 28.028 -4.588 4.614 60 HG23 VAL 8 HG23 VAL 8 28.475 -5.356 6.136 61 H LEU 9 HN LEU 9 24.597 -7.792 6.809 62 HA LEU 9 HA LEU 9 23.257 -9.269 4.809 63 HB2 LEU 9 HB2 LEU 9 24.033 -9.782 7.268 64 HB3 LEU 9 HB1 LEU 9 22.392 -9.299 7.694 65 HG LEU 9 HG LEU 9 22.072 -11.001 5.492 66 HD11 LEU 9 HD11 LEU 9 23.975 -12.233 5.442 67 HD12 LEU 9 HD12 LEU 9 23.345 -12.994 6.903 68 HD13 LEU 9 HD13 LEU 9 24.494 -11.662 7.029 69 HD21 LEU 9 HD21 LEU 9 20.489 -11.125 7.210 70 HD22 LEU 9 HD22 LEU 9 21.716 -11.231 8.470 71 HD23 LEU 9 HD23 LEU 9 21.387 -12.625 7.441 72 H LEU 10 HN LEU 10 21.986 -6.809 7.049 73 HA LEU 10 HA LEU 10 19.239 -7.084 5.934 74 HB2 LEU 10 HB2 LEU 10 20.445 -6.401 8.418 75 HB3 LEU 10 HB1 LEU 10 19.610 -4.955 7.848 76 HG LEU 10 HG LEU 10 17.992 -7.329 7.408 77 HD11 LEU 10 HD11 LEU 10 19.006 -8.321 9.316 78 HD12 LEU 10 HD12 LEU 10 17.515 -7.592 9.915 79 HD13 LEU 10 HD13 LEU 10 19.060 -6.785 10.181 80 HD21 LEU 10 HD21 LEU 10 16.962 -5.187 7.372 81 HD22 LEU 10 HD22 LEU 10 17.738 -4.700 8.879 82 HD23 LEU 10 HD23 LEU 10 16.445 -5.900 8.900 83 H ILE 11 HN ILE 11 21.958 -4.772 6.015 84 HA ILE 11 HA ILE 11 20.575 -2.539 4.839 85 HB ILE 11 HB ILE 11 23.447 -3.467 5.017 86 HG12 ILE 11 HG12 ILE 11 22.188 -2.591 7.027 87 HG13 ILE 11 HG11 ILE 11 23.632 -1.667 6.622 88 HG21 ILE 11 HG21 ILE 11 22.331 -1.055 3.576 89 HG22 ILE 11 HG22 ILE 11 23.518 -2.224 2.997 90 HG23 ILE 11 HG23 ILE 11 23.964 -1.055 4.241 91 HD11 ILE 11 HD11 ILE 11 22.226 -0.020 5.409 92 HD12 ILE 11 HD12 ILE 11 21.756 -0.149 7.104 93 HD13 ILE 11 HD13 ILE 11 20.786 -0.934 5.859 94 H MET 12 HN MET 12 22.389 -5.267 3.378 95 HA MET 12 HA MET 12 22.336 -4.406 0.681 96 HB2 MET 12 HB2 MET 12 23.603 -6.334 1.625 97 HB3 MET 12 HB1 MET 12 22.096 -7.222 1.787 98 HG2 MET 12 HG2 MET 12 21.865 -7.535 -0.494 99 HG3 MET 12 HG1 MET 12 22.754 -6.065 -0.890 100 HE1 MET 12 HE1 MET 12 23.658 -6.982 -2.604 101 HE2 MET 12 HE2 MET 12 24.025 -8.702 -2.716 102 HE3 MET 12 HE3 MET 12 25.337 -7.536 -2.560 103 HA PRO 13 HA PRO 13 18.154 -6.661 0.067 104 HB2 PRO 13 HB2 PRO 13 16.699 -7.276 2.303 105 HB3 PRO 13 HB1 PRO 13 17.868 -8.387 1.568 106 HG2 PRO 13 HG2 PRO 13 18.237 -6.571 3.882 107 HG3 PRO 13 HG1 PRO 13 18.697 -8.274 3.698 108 HD2 PRO 13 HD2 PRO 13 20.459 -6.318 3.391 109 HD3 PRO 13 HD1 PRO 13 20.550 -7.770 2.398 110 H LEU 14 HN LEU 14 18.796 -4.259 2.504 111 HA LEU 14 HA LEU 14 16.184 -2.989 2.550 112 HB2 LEU 14 HB2 LEU 14 18.273 -2.793 4.121 113 HB3 LEU 14 HB1 LEU 14 18.821 -1.581 2.962 114 HG LEU 14 HG LEU 14 16.006 -1.261 3.755 115 HD11 LEU 14 HD11 LEU 14 18.074 -1.657 5.791 116 HD12 LEU 14 HD12 LEU 14 16.321 -1.576 5.971 117 HD13 LEU 14 HD13 LEU 14 17.272 -0.093 5.928 118 HD21 LEU 14 HD21 LEU 14 17.133 0.451 2.481 119 HD22 LEU 14 HD22 LEU 14 18.467 0.505 3.634 120 HD23 LEU 14 HD23 LEU 14 16.872 1.095 4.102 121 H VAL 15 HN VAL 15 19.168 -2.512 0.693 122 HA VAL 15 HA VAL 15 18.143 -0.322 -0.946 123 HB VAL 15 HB VAL 15 20.325 -2.278 -1.693 124 HG11 VAL 15 HG11 VAL 15 20.390 0.720 -1.966 125 HG12 VAL 15 HG12 VAL 15 19.467 -0.250 -3.113 126 HG13 VAL 15 HG13 VAL 15 21.204 -0.503 -2.942 127 HG21 VAL 15 HG21 VAL 15 21.215 -1.838 0.385 128 HG22 VAL 15 HG22 VAL 15 20.235 -0.390 0.611 129 HG23 VAL 15 HG23 VAL 15 21.694 -0.321 -0.375 130 H ILE 16 HN ILE 16 18.469 -3.850 -1.252 131 HA ILE 16 HA ILE 16 17.719 -4.164 -3.941 132 HB ILE 16 HB ILE 16 17.231 -5.874 -1.481 133 HG12 ILE 16 HG12 ILE 16 19.477 -5.392 -3.334 134 HG13 ILE 16 HG11 ILE 16 19.495 -6.032 -1.700 135 HG21 ILE 16 HG21 ILE 16 16.983 -7.747 -3.185 136 HG22 ILE 16 HG22 ILE 16 16.817 -6.497 -4.417 137 HG23 ILE 16 HG23 ILE 16 15.633 -6.614 -3.116 138 HD11 ILE 16 HD11 ILE 16 18.504 -8.189 -2.770 139 HD12 ILE 16 HD12 ILE 16 20.221 -7.859 -2.993 140 HD13 ILE 16 HD13 ILE 16 19.081 -7.509 -4.292 141 H TRP 17 HN TRP 17 15.500 -4.573 -1.128 142 HA TRP 17 HA TRP 17 13.070 -4.678 -2.476 143 HB2 TRP 17 HB2 TRP 17 12.332 -4.746 -0.385 144 HB3 TRP 17 HB1 TRP 17 13.946 -4.457 0.150 145 HD1 TRP 17 HD1 TRP 17 14.385 -2.146 1.315 146 HE1 TRP 17 HE1 TRP 17 12.942 -0.065 1.801 147 HE3 TRP 17 HE3 TRP 17 10.518 -3.236 -1.595 148 HZ2 TRP 17 HZ2 TRP 17 10.388 0.996 0.974 149 HZ3 TRP 17 HZ3 TRP 17 8.537 -1.719 -1.805 150 HH2 TRP 17 HH2 TRP 17 8.486 0.412 -0.523 151 H VAL 18 HN VAL 18 14.687 -1.746 -1.321 152 HA VAL 18 HA VAL 18 12.784 0.127 -1.977 153 HB VAL 18 HB VAL 18 15.795 0.095 -1.945 154 HG11 VAL 18 HG11 VAL 18 15.396 2.741 -2.076 155 HG12 VAL 18 HG12 VAL 18 14.061 2.232 -3.109 156 HG13 VAL 18 HG13 VAL 18 15.715 1.780 -3.521 157 HG21 VAL 18 HG21 VAL 18 15.343 1.750 -0.095 158 HG22 VAL 18 HG22 VAL 18 14.648 0.155 0.185 159 HG23 VAL 18 HG23 VAL 18 13.619 1.482 -0.353 160 H TYR 19 HN TYR 19 15.127 -1.425 -4.156 161 HA TYR 19 HA TYR 19 14.084 0.058 -6.515 162 HB2 TYR 19 HB2 TYR 19 16.536 -0.338 -6.048 163 HB3 TYR 19 HB1 TYR 19 16.247 -2.063 -6.268 164 HD1 TYR 19 HD2 TYR 19 16.406 1.218 -7.935 165 HD2 TYR 19 HD1 TYR 19 15.731 -2.992 -8.474 166 HE1 TYR 19 HE2 TYR 19 16.628 1.495 -10.392 167 HE2 TYR 19 HE1 TYR 19 15.953 -2.710 -10.931 168 HH TYR 19 HH TYR 19 17.156 -0.988 -12.482 169 H SER 20 HN SER 20 14.360 -3.294 -5.272 170 HA SER 20 HA SER 20 11.881 -4.110 -6.581 171 HB2 SER 20 HB2 SER 20 12.984 -5.686 -8.164 172 HB3 SER 20 HB1 SER 20 13.417 -4.013 -8.507 173 HG SER 20 HG SER 20 14.983 -5.607 -6.767 Start of MODEL 4 1 H1 ASP 1 HT1 ASP 1 34.413 -3.466 0.809 2 H2 ASP 1 HT2 ASP 1 33.116 -4.555 0.962 3 H3 ASP 1 HT3 ASP 1 34.715 -5.105 1.128 4 HA ASP 1 HA ASP 1 34.975 -3.712 3.135 5 HB2 ASP 1 HB2 ASP 1 33.024 -2.268 2.044 6 HB3 ASP 1 HB1 ASP 1 31.997 -3.314 3.025 7 H GLY 2 HN GLY 2 33.212 -4.247 5.190 8 HA2 GLY 2 HA2 GLY 2 31.698 -6.542 5.345 9 HA3 GLY 2 HA1 GLY 2 33.344 -7.175 5.357 10 H ILE 3 HN ILE 3 32.204 -4.139 6.833 11 HA ILE 3 HA ILE 3 33.585 -4.603 9.305 12 HB ILE 3 HB ILE 3 31.524 -2.716 8.247 13 HG12 ILE 3 HG12 ILE 3 34.196 -2.112 9.500 14 HG13 ILE 3 HG11 ILE 3 34.066 -2.623 7.818 15 HG21 ILE 3 HG21 ILE 3 31.058 -3.216 10.725 16 HG22 ILE 3 HG22 ILE 3 31.352 -1.529 10.308 17 HG23 ILE 3 HG23 ILE 3 32.631 -2.489 11.047 18 HD11 ILE 3 HD11 ILE 3 32.755 -0.203 9.077 19 HD12 ILE 3 HD12 ILE 3 32.432 -0.760 7.435 20 HD13 ILE 3 HD13 ILE 3 34.047 -0.200 7.877 21 H SER 4 HN SER 4 30.035 -4.515 8.725 22 HA SER 4 HA SER 4 29.743 -6.515 10.949 23 HB2 SER 4 HB2 SER 4 28.968 -4.255 11.547 24 HB3 SER 4 HB1 SER 4 27.937 -4.221 10.118 25 HG SER 4 HG SER 4 27.473 -5.319 12.538 26 H TRP 5 HN TRP 5 29.427 -8.401 9.808 27 HA TRP 5 HA TRP 5 28.227 -8.743 7.292 28 HB2 TRP 5 HB2 TRP 5 28.778 -10.429 9.684 29 HB3 TRP 5 HB1 TRP 5 27.753 -11.114 8.423 30 HD1 TRP 5 HD1 TRP 5 30.901 -8.873 8.134 31 HE1 TRP 5 HE1 TRP 5 32.584 -10.053 6.577 32 HE3 TRP 5 HE3 TRP 5 28.369 -13.215 7.209 33 HZ2 TRP 5 HZ2 TRP 5 32.829 -12.501 5.136 34 HZ3 TRP 5 HZ3 TRP 5 29.355 -14.954 5.740 35 HH2 TRP 5 HH2 TRP 5 31.579 -14.601 4.703 36 HA PRO 6 HA PRO 6 24.051 -9.646 9.527 37 HB2 PRO 6 HB2 PRO 6 23.789 -8.474 11.988 38 HB3 PRO 6 HB1 PRO 6 24.304 -10.144 11.754 39 HG2 PRO 6 HG2 PRO 6 25.922 -7.693 12.229 40 HG3 PRO 6 HG1 PRO 6 26.101 -9.316 12.919 41 HD2 PRO 6 HD2 PRO 6 27.677 -8.470 10.937 42 HD3 PRO 6 HD1 PRO 6 27.120 -10.140 11.019 43 H PHE 7 HN PHE 7 25.677 -6.542 10.232 44 HA PHE 7 HA PHE 7 23.352 -4.867 9.821 45 HB2 PHE 7 HB2 PHE 7 25.583 -4.278 10.913 46 HB3 PHE 7 HB1 PHE 7 26.276 -4.227 9.293 47 HD1 PHE 7 HD1 PHE 7 23.335 -2.880 11.204 48 HD2 PHE 7 HD2 PHE 7 26.275 -2.195 8.148 49 HE1 PHE 7 HE1 PHE 7 22.497 -0.564 10.916 50 HE2 PHE 7 HE2 PHE 7 25.438 0.121 7.861 51 HZ PHE 7 HZ PHE 7 23.548 0.936 9.245 52 H VAL 8 HN VAL 8 26.048 -5.904 7.679 53 HA VAL 8 HA VAL 8 25.002 -4.685 5.269 54 HB VAL 8 HB VAL 8 26.883 -6.999 5.861 55 HG11 VAL 8 HG11 VAL 8 25.877 -5.892 3.276 56 HG12 VAL 8 HG12 VAL 8 26.374 -7.536 3.678 57 HG13 VAL 8 HG13 VAL 8 27.591 -6.295 3.377 58 HG21 VAL 8 HG21 VAL 8 28.631 -5.423 5.480 59 HG22 VAL 8 HG22 VAL 8 27.466 -4.576 6.498 60 HG23 VAL 8 HG23 VAL 8 27.524 -4.251 4.766 61 H LEU 9 HN LEU 9 24.575 -7.826 6.851 62 HA LEU 9 HA LEU 9 23.239 -9.344 4.888 63 HB2 LEU 9 HB2 LEU 9 23.947 -9.687 7.450 64 HB3 LEU 9 HB1 LEU 9 22.237 -9.354 7.706 65 HG LEU 9 HG LEU 9 22.093 -11.112 5.631 66 HD11 LEU 9 HD11 LEU 9 24.492 -11.532 5.585 67 HD12 LEU 9 HD12 LEU 9 23.675 -12.966 6.207 68 HD13 LEU 9 HD13 LEU 9 24.497 -11.870 7.317 69 HD21 LEU 9 HD21 LEU 9 20.786 -11.321 7.653 70 HD22 LEU 9 HD22 LEU 9 22.228 -11.656 8.610 71 HD23 LEU 9 HD23 LEU 9 21.660 -12.838 7.433 72 H LEU 10 HN LEU 10 21.917 -6.866 7.093 73 HA LEU 10 HA LEU 10 19.208 -7.144 5.894 74 HB2 LEU 10 HB2 LEU 10 20.340 -6.452 8.420 75 HB3 LEU 10 HB1 LEU 10 19.484 -5.028 7.833 76 HG LEU 10 HG LEU 10 17.982 -6.480 9.142 77 HD11 LEU 10 HD11 LEU 10 16.347 -6.987 7.130 78 HD12 LEU 10 HD12 LEU 10 17.545 -6.087 6.201 79 HD13 LEU 10 HD13 LEU 10 16.731 -5.322 7.565 80 HD21 LEU 10 HD21 LEU 10 19.227 -8.527 7.444 81 HD22 LEU 10 HD22 LEU 10 17.471 -8.661 7.515 82 HD23 LEU 10 HD23 LEU 10 18.419 -8.701 9.000 83 H ILE 11 HN ILE 11 21.921 -4.832 6.039 84 HA ILE 11 HA ILE 11 20.561 -2.587 4.862 85 HB ILE 11 HB ILE 11 23.425 -3.531 5.067 86 HG12 ILE 11 HG12 ILE 11 22.152 -2.648 7.065 87 HG13 ILE 11 HG11 ILE 11 23.604 -1.731 6.672 88 HG21 ILE 11 HG21 ILE 11 22.341 -1.505 3.255 89 HG22 ILE 11 HG22 ILE 11 23.967 -2.185 3.330 90 HG23 ILE 11 HG23 ILE 11 23.527 -0.835 4.375 91 HD11 ILE 11 HD11 ILE 11 20.825 -0.967 5.728 92 HD12 ILE 11 HD12 ILE 11 22.299 -0.011 5.573 93 HD13 ILE 11 HD13 ILE 11 21.595 -0.294 7.165 94 H MET 12 HN MET 12 22.407 -5.290 3.394 95 HA MET 12 HA MET 12 22.371 -4.419 0.703 96 HB2 MET 12 HB2 MET 12 23.644 -6.336 1.597 97 HB3 MET 12 HB1 MET 12 22.144 -7.218 1.852 98 HG2 MET 12 HG2 MET 12 21.677 -7.042 -0.604 99 HG3 MET 12 HG1 MET 12 23.265 -6.300 -0.808 100 HE1 MET 12 HE1 MET 12 24.180 -7.813 -2.376 101 HE2 MET 12 HE2 MET 12 25.153 -9.178 -1.833 102 HE3 MET 12 HE3 MET 12 25.411 -7.583 -1.129 103 HA PRO 13 HA PRO 13 18.205 -6.677 0.036 104 HB2 PRO 13 HB2 PRO 13 16.739 -7.340 2.249 105 HB3 PRO 13 HB1 PRO 13 17.924 -8.426 1.504 106 HG2 PRO 13 HG2 PRO 13 18.255 -6.658 3.858 107 HG3 PRO 13 HG1 PRO 13 18.742 -8.349 3.637 108 HD2 PRO 13 HD2 PRO 13 20.467 -6.344 3.388 109 HD3 PRO 13 HD1 PRO 13 20.601 -7.786 2.382 110 H LEU 14 HN LEU 14 18.818 -4.272 2.475 111 HA LEU 14 HA LEU 14 16.184 -3.038 2.516 112 HB2 LEU 14 HB2 LEU 14 18.217 -2.790 4.122 113 HB3 LEU 14 HB1 LEU 14 18.832 -1.637 2.938 114 HG LEU 14 HG LEU 14 16.041 -1.099 3.481 115 HD11 LEU 14 HD11 LEU 14 16.341 -0.373 5.846 116 HD12 LEU 14 HD12 LEU 14 17.919 -1.160 5.861 117 HD13 LEU 14 HD13 LEU 14 16.457 -2.123 5.659 118 HD21 LEU 14 HD21 LEU 14 18.677 0.348 3.732 119 HD22 LEU 14 HD22 LEU 14 17.175 1.102 4.266 120 HD23 LEU 14 HD23 LEU 14 17.374 0.631 2.578 121 H VAL 15 HN VAL 15 19.166 -2.542 0.661 122 HA VAL 15 HA VAL 15 18.156 -0.364 -0.994 123 HB VAL 15 HB VAL 15 20.286 -2.390 -1.725 124 HG11 VAL 15 HG11 VAL 15 21.330 -0.117 -2.512 125 HG12 VAL 15 HG12 VAL 15 19.679 0.486 -2.370 126 HG13 VAL 15 HG13 VAL 15 20.039 -0.849 -3.464 127 HG21 VAL 15 HG21 VAL 15 21.290 -1.897 0.270 128 HG22 VAL 15 HG22 VAL 15 20.242 -0.509 0.560 129 HG23 VAL 15 HG23 VAL 15 21.659 -0.342 -0.477 130 H ILE 16 HN ILE 16 18.451 -3.888 -1.284 131 HA ILE 16 HA ILE 16 17.665 -4.273 -3.941 132 HB ILE 16 HB ILE 16 17.182 -5.870 -1.406 133 HG12 ILE 16 HG12 ILE 16 19.131 -6.212 -3.707 134 HG13 ILE 16 HG11 ILE 16 19.540 -5.544 -2.133 135 HG21 ILE 16 HG21 ILE 16 15.564 -6.852 -2.752 136 HG22 ILE 16 HG22 ILE 16 16.983 -7.770 -3.255 137 HG23 ILE 16 HG23 ILE 16 16.403 -6.433 -4.246 138 HD11 ILE 16 HD11 ILE 16 18.221 -8.229 -2.238 139 HD12 ILE 16 HD12 ILE 16 19.378 -7.597 -1.066 140 HD13 ILE 16 HD13 ILE 16 19.930 -8.116 -2.658 141 H TRP 17 HN TRP 17 15.434 -4.572 -1.126 142 HA TRP 17 HA TRP 17 13.006 -4.617 -2.502 143 HB2 TRP 17 HB2 TRP 17 12.252 -4.708 -0.419 144 HB3 TRP 17 HB1 TRP 17 13.870 -4.474 0.133 145 HD1 TRP 17 HD1 TRP 17 14.369 -2.192 1.336 146 HE1 TRP 17 HE1 TRP 17 12.972 -0.090 1.866 147 HE3 TRP 17 HE3 TRP 17 10.479 -3.138 -1.592 148 HZ2 TRP 17 HZ2 TRP 17 10.443 1.044 1.059 149 HZ3 TRP 17 HZ3 TRP 17 8.532 -1.575 -1.772 150 HH2 TRP 17 HH2 TRP 17 8.529 0.531 -0.448 151 H VAL 18 HN VAL 18 14.688 -1.757 -1.262 152 HA VAL 18 HA VAL 18 12.832 0.168 -1.941 153 HB VAL 18 HB VAL 18 15.833 0.077 -1.749 154 HG11 VAL 18 HG11 VAL 18 15.774 2.625 -1.958 155 HG12 VAL 18 HG12 VAL 18 14.191 2.431 -2.709 156 HG13 VAL 18 HG13 VAL 18 15.619 1.728 -3.468 157 HG21 VAL 18 HG21 VAL 18 14.863 0.217 0.364 158 HG22 VAL 18 HG22 VAL 18 13.510 1.192 -0.209 159 HG23 VAL 18 HG23 VAL 18 15.102 1.925 -0.005 160 H TYR 19 HN TYR 19 15.191 -1.440 -4.055 161 HA TYR 19 HA TYR 19 14.381 0.188 -6.405 162 HB2 TYR 19 HB2 TYR 19 16.764 -0.499 -5.798 163 HB3 TYR 19 HB1 TYR 19 16.305 -2.149 -6.221 164 HD1 TYR 19 HD1 TYR 19 16.667 1.306 -7.528 165 HD2 TYR 19 HD2 TYR 19 16.049 -2.832 -8.508 166 HE1 TYR 19 HE1 TYR 19 17.040 1.816 -9.930 167 HE2 TYR 19 HE2 TYR 19 16.424 -2.318 -10.908 168 HH TYR 19 HH TYR 19 16.100 0.093 -12.333 169 H SER 20 HN SER 20 14.283 -3.225 -5.296 170 HA SER 20 HA SER 20 11.874 -3.693 -6.947 171 HB2 SER 20 HB2 SER 20 12.967 -5.527 -8.206 172 HB3 SER 20 HB1 SER 20 13.768 -3.989 -8.507 173 HG SER 20 HG SER 20 14.642 -5.655 -6.401 Start of MODEL 5 1 H1 ASP 1 HT1 ASP 1 34.586 -8.527 2.396 2 H2 ASP 1 HT2 ASP 1 33.250 -8.299 3.422 3 H3 ASP 1 HT3 ASP 1 34.181 -9.722 3.533 4 HA ASP 1 HA ASP 1 36.100 -8.451 4.303 5 HB2 ASP 1 HB2 ASP 1 35.808 -5.999 4.570 6 HB3 ASP 1 HB1 ASP 1 35.408 -6.457 2.913 7 H GLY 2 HN GLY 2 35.069 -6.413 6.392 8 HA2 GLY 2 HA2 GLY 2 33.477 -8.305 8.075 9 HA3 GLY 2 HA1 GLY 2 34.922 -7.543 8.726 10 H ILE 3 HN ILE 3 32.904 -5.608 6.601 11 HA ILE 3 HA ILE 3 32.450 -3.636 8.685 12 HB ILE 3 HB ILE 3 32.705 -3.250 6.206 13 HG12 ILE 3 HG12 ILE 3 30.046 -2.093 6.833 14 HG13 ILE 3 HG11 ILE 3 31.305 -1.809 8.035 15 HG21 ILE 3 HG21 ILE 3 29.820 -3.780 5.765 16 HG22 ILE 3 HG22 ILE 3 30.848 -5.207 5.892 17 HG23 ILE 3 HG23 ILE 3 31.184 -3.983 4.667 18 HD11 ILE 3 HD11 ILE 3 30.983 -0.618 5.404 19 HD12 ILE 3 HD12 ILE 3 32.567 -1.373 5.571 20 HD13 ILE 3 HD13 ILE 3 32.053 -0.137 6.720 21 H SER 4 HN SER 4 31.461 -5.653 10.016 22 HA SER 4 HA SER 4 29.571 -6.517 11.127 23 HB2 SER 4 HB2 SER 4 29.215 -4.016 11.264 24 HB3 SER 4 HB1 SER 4 28.186 -4.148 9.841 25 HG SER 4 HG SER 4 27.584 -4.651 12.403 26 H TRP 5 HN TRP 5 29.548 -8.370 9.687 27 HA TRP 5 HA TRP 5 28.304 -8.621 7.203 28 HB2 TRP 5 HB2 TRP 5 28.827 -10.404 9.534 29 HB3 TRP 5 HB1 TRP 5 27.829 -11.029 8.223 30 HD1 TRP 5 HD1 TRP 5 31.029 -8.834 8.182 31 HE1 TRP 5 HE1 TRP 5 32.736 -9.918 6.565 32 HE3 TRP 5 HE3 TRP 5 28.404 -12.996 6.813 33 HZ2 TRP 5 HZ2 TRP 5 32.937 -12.247 4.923 34 HZ3 TRP 5 HZ3 TRP 5 29.377 -14.630 5.223 35 HH2 TRP 5 HH2 TRP 5 31.639 -14.261 4.277 36 HA PRO 6 HA PRO 6 24.125 -9.554 9.422 37 HB2 PRO 6 HB2 PRO 6 23.861 -8.409 11.894 38 HB3 PRO 6 HB1 PRO 6 24.366 -10.080 11.642 39 HG2 PRO 6 HG2 PRO 6 25.994 -7.644 12.156 40 HG3 PRO 6 HG1 PRO 6 26.163 -9.278 12.823 41 HD2 PRO 6 HD2 PRO 6 27.750 -8.410 10.858 42 HD3 PRO 6 HD1 PRO 6 27.190 -10.078 10.916 43 H PHE 7 HN PHE 7 25.737 -6.441 10.190 44 HA PHE 7 HA PHE 7 23.425 -4.761 9.791 45 HB2 PHE 7 HB2 PHE 7 25.648 -4.134 10.832 46 HB3 PHE 7 HB1 PHE 7 26.358 -4.180 9.220 47 HD1 PHE 7 HD1 PHE 7 23.438 -2.658 11.036 48 HD2 PHE 7 HD2 PHE 7 26.422 -2.207 7.977 49 HE1 PHE 7 HE1 PHE 7 22.679 -0.331 10.636 50 HE2 PHE 7 HE2 PHE 7 25.661 0.119 7.578 51 HZ PHE 7 HZ PHE 7 23.790 1.057 8.907 52 H VAL 8 HN VAL 8 26.051 -5.847 7.596 53 HA VAL 8 HA VAL 8 24.953 -4.645 5.196 54 HB VAL 8 HB VAL 8 26.818 -6.987 5.732 55 HG11 VAL 8 HG11 VAL 8 27.348 -7.084 3.459 56 HG12 VAL 8 HG12 VAL 8 26.717 -5.468 3.139 57 HG13 VAL 8 HG13 VAL 8 25.607 -6.812 3.407 58 HG21 VAL 8 HG21 VAL 8 27.126 -4.163 5.969 59 HG22 VAL 8 HG22 VAL 8 28.055 -4.671 4.559 60 HG23 VAL 8 HG23 VAL 8 28.369 -5.402 6.133 61 H LEU 9 HN LEU 9 24.575 -7.786 6.805 62 HA LEU 9 HA LEU 9 23.196 -9.304 4.870 63 HB2 LEU 9 HB2 LEU 9 23.969 -9.636 7.433 64 HB3 LEU 9 HB1 LEU 9 22.249 -9.358 7.701 65 HG LEU 9 HG LEU 9 22.176 -11.105 5.592 66 HD11 LEU 9 HD11 LEU 9 23.967 -12.776 7.018 67 HD12 LEU 9 HD12 LEU 9 24.825 -11.263 6.728 68 HD13 LEU 9 HD13 LEU 9 24.148 -12.166 5.374 69 HD21 LEU 9 HD21 LEU 9 20.964 -11.156 7.825 70 HD22 LEU 9 HD22 LEU 9 22.383 -11.965 8.494 71 HD23 LEU 9 HD23 LEU 9 21.449 -12.735 7.212 72 H LEU 10 HN LEU 10 21.928 -6.821 7.096 73 HA LEU 10 HA LEU 10 19.185 -7.120 5.982 74 HB2 LEU 10 HB2 LEU 10 20.447 -6.289 8.447 75 HB3 LEU 10 HB1 LEU 10 19.403 -4.994 7.864 76 HG LEU 10 HG LEU 10 18.164 -6.560 9.324 77 HD11 LEU 10 HD11 LEU 10 17.307 -5.490 6.998 78 HD12 LEU 10 HD12 LEU 10 16.272 -6.471 8.036 79 HD13 LEU 10 HD13 LEU 10 17.063 -7.200 6.638 80 HD21 LEU 10 HD21 LEU 10 17.973 -8.856 8.872 81 HD22 LEU 10 HD22 LEU 10 19.662 -8.533 8.485 82 HD23 LEU 10 HD23 LEU 10 18.472 -8.664 7.192 83 H ILE 11 HN ILE 11 21.902 -4.814 6.003 84 HA ILE 11 HA ILE 11 20.502 -2.579 4.845 85 HB ILE 11 HB ILE 11 23.367 -3.514 5.017 86 HG12 ILE 11 HG12 ILE 11 22.220 -2.619 7.032 87 HG13 ILE 11 HG11 ILE 11 23.548 -1.579 6.520 88 HG21 ILE 11 HG21 ILE 11 23.520 -0.858 4.265 89 HG22 ILE 11 HG22 ILE 11 22.252 -1.478 3.208 90 HG23 ILE 11 HG23 ILE 11 23.849 -2.230 3.205 91 HD11 ILE 11 HD11 ILE 11 21.935 0.043 6.752 92 HD12 ILE 11 HD12 ILE 11 20.612 -1.080 6.439 93 HD13 ILE 11 HD13 ILE 11 21.564 -0.444 5.098 94 H MET 12 HN MET 12 22.319 -5.287 3.365 95 HA MET 12 HA MET 12 22.212 -4.425 0.670 96 HB2 MET 12 HB2 MET 12 23.514 -6.346 1.632 97 HB3 MET 12 HB1 MET 12 22.014 -7.262 1.724 98 HG2 MET 12 HG2 MET 12 21.733 -6.891 -0.755 99 HG3 MET 12 HG1 MET 12 23.354 -6.196 -0.772 100 HE1 MET 12 HE1 MET 12 25.305 -7.979 -1.712 101 HE2 MET 12 HE2 MET 12 23.790 -7.614 -2.533 102 HE3 MET 12 HE3 MET 12 24.357 -9.280 -2.441 103 HA PRO 13 HA PRO 13 18.073 -6.772 0.107 104 HB2 PRO 13 HB2 PRO 13 16.648 -7.396 2.358 105 HB3 PRO 13 HB1 PRO 13 17.835 -8.488 1.624 106 HG2 PRO 13 HG2 PRO 13 18.185 -6.648 3.921 107 HG3 PRO 13 HG1 PRO 13 18.676 -8.342 3.745 108 HD2 PRO 13 HD2 PRO 13 20.395 -6.352 3.413 109 HD3 PRO 13 HD1 PRO 13 20.507 -7.812 2.431 110 H LEU 14 HN LEU 14 18.676 -4.321 2.514 111 HA LEU 14 HA LEU 14 16.032 -3.118 2.566 112 HB2 LEU 14 HB2 LEU 14 18.082 -2.808 4.136 113 HB3 LEU 14 HB1 LEU 14 18.669 -1.675 2.918 114 HG LEU 14 HG LEU 14 15.884 -1.141 3.478 115 HD11 LEU 14 HD11 LEU 14 16.105 -0.448 5.823 116 HD12 LEU 14 HD12 LEU 14 17.758 -1.063 5.864 117 HD13 LEU 14 HD13 LEU 14 16.406 -2.179 5.669 118 HD21 LEU 14 HD21 LEU 14 17.877 0.315 2.584 119 HD22 LEU 14 HD22 LEU 14 18.203 0.598 4.292 120 HD23 LEU 14 HD23 LEU 14 16.653 1.071 3.600 121 H VAL 15 HN VAL 15 18.962 -2.637 0.635 122 HA VAL 15 HA VAL 15 17.873 -0.501 -1.038 123 HB VAL 15 HB VAL 15 20.077 -2.461 -1.731 124 HG11 VAL 15 HG11 VAL 15 19.969 0.520 -2.213 125 HG12 VAL 15 HG12 VAL 15 19.209 -0.625 -3.318 126 HG13 VAL 15 HG13 VAL 15 20.950 -0.689 -3.040 127 HG21 VAL 15 HG21 VAL 15 21.249 -1.813 0.098 128 HG22 VAL 15 HG22 VAL 15 19.949 -0.728 0.590 129 HG23 VAL 15 HG23 VAL 15 21.207 -0.155 -0.504 130 H ILE 16 HN ILE 16 18.328 -4.014 -1.301 131 HA ILE 16 HA ILE 16 17.564 -4.507 -3.925 132 HB ILE 16 HB ILE 16 17.066 -6.006 -1.338 133 HG12 ILE 16 HG12 ILE 16 19.032 -6.365 -3.622 134 HG13 ILE 16 HG11 ILE 16 19.416 -5.737 -2.026 135 HG21 ILE 16 HG21 ILE 16 16.660 -8.010 -2.804 136 HG22 ILE 16 HG22 ILE 16 16.572 -6.922 -4.188 137 HG23 ILE 16 HG23 ILE 16 15.379 -6.802 -2.895 138 HD11 ILE 16 HD11 ILE 16 19.115 -7.827 -0.993 139 HD12 ILE 16 HD12 ILE 16 19.887 -8.253 -2.520 140 HD13 ILE 16 HD13 ILE 16 18.146 -8.451 -2.328 141 H TRP 17 HN TRP 17 15.315 -4.458 -1.107 142 HA TRP 17 HA TRP 17 12.924 -4.625 -2.643 143 HB2 TRP 17 HB2 TRP 17 12.074 -4.785 -0.601 144 HB3 TRP 17 HB1 TRP 17 13.656 -4.550 0.041 145 HD1 TRP 17 HD1 TRP 17 14.059 -2.301 1.332 146 HE1 TRP 17 HE1 TRP 17 12.615 -0.226 1.835 147 HE3 TRP 17 HE3 TRP 17 10.356 -3.191 -1.846 148 HZ2 TRP 17 HZ2 TRP 17 10.132 0.916 0.908 149 HZ3 TRP 17 HZ3 TRP 17 8.414 -1.634 -2.102 150 HH2 TRP 17 HH2 TRP 17 8.316 0.435 -0.726 151 H VAL 18 HN VAL 18 14.538 -1.816 -1.204 152 HA VAL 18 HA VAL 18 12.722 0.120 -2.020 153 HB VAL 18 HB VAL 18 15.679 0.072 -1.445 154 HG11 VAL 18 HG11 VAL 18 15.916 1.894 -2.812 155 HG12 VAL 18 HG12 VAL 18 15.182 2.741 -1.449 156 HG13 VAL 18 HG13 VAL 18 14.187 2.244 -2.818 157 HG21 VAL 18 HG21 VAL 18 13.148 0.985 -0.136 158 HG22 VAL 18 HG22 VAL 18 14.641 1.833 0.267 159 HG23 VAL 18 HG23 VAL 18 14.509 0.098 0.552 160 H TYR 19 HN TYR 19 15.622 -1.071 -3.780 161 HA TYR 19 HA TYR 19 14.767 0.420 -6.222 162 HB2 TYR 19 HB2 TYR 19 17.157 0.297 -5.149 163 HB3 TYR 19 HB1 TYR 19 17.239 -1.287 -5.922 164 HD1 TYR 19 HD1 TYR 19 16.885 2.353 -6.510 165 HD2 TYR 19 HD2 TYR 19 17.387 -1.510 -8.324 166 HE1 TYR 19 HE1 TYR 19 17.397 3.439 -8.683 167 HE2 TYR 19 HE2 TYR 19 17.901 -0.421 -10.496 168 HH TYR 19 HH TYR 19 17.157 2.151 -11.470 169 H SER 20 HN SER 20 12.879 -1.402 -5.959 170 HA SER 20 HA SER 20 13.677 -3.707 -7.716 171 HB2 SER 20 HB2 SER 20 12.171 -3.507 -5.155 172 HB3 SER 20 HB1 SER 20 11.556 -4.657 -6.336 173 HG SER 20 HG SER 20 14.126 -4.527 -5.117 Start of MODEL 6 1 H1 ASP 1 HT1 ASP 1 36.321 -6.263 2.535 2 H2 ASP 1 HT2 ASP 1 37.168 -7.687 2.914 3 H3 ASP 1 HT3 ASP 1 37.070 -6.426 4.048 4 HA ASP 1 HA ASP 1 34.867 -8.204 3.130 5 HB2 ASP 1 HB2 ASP 1 36.782 -8.632 4.966 6 HB3 ASP 1 HB1 ASP 1 35.682 -7.678 5.961 7 H GLY 2 HN GLY 2 33.141 -7.722 5.186 8 HA2 GLY 2 HA2 GLY 2 32.366 -4.869 4.744 9 HA3 GLY 2 HA1 GLY 2 31.254 -6.163 5.189 10 H ILE 3 HN ILE 3 31.811 -3.553 6.533 11 HA ILE 3 HA ILE 3 33.312 -3.845 8.929 12 HB ILE 3 HB ILE 3 30.912 -2.234 8.119 13 HG12 ILE 3 HG12 ILE 3 33.526 -1.002 8.766 14 HG13 ILE 3 HG11 ILE 3 33.505 -2.042 7.341 15 HG21 ILE 3 HG21 ILE 3 30.616 -2.110 10.418 16 HG22 ILE 3 HG22 ILE 3 31.764 -0.795 10.169 17 HG23 ILE 3 HG23 ILE 3 32.330 -2.361 10.752 18 HD11 ILE 3 HD11 ILE 3 31.355 -0.733 6.690 19 HD12 ILE 3 HD12 ILE 3 32.913 0.065 6.473 20 HD13 ILE 3 HD13 ILE 3 31.907 0.456 7.869 21 H SER 4 HN SER 4 29.848 -4.497 8.326 22 HA SER 4 HA SER 4 29.843 -6.301 10.712 23 HB2 SER 4 HB2 SER 4 28.968 -4.146 11.432 24 HB3 SER 4 HB1 SER 4 27.893 -4.075 10.039 25 HG SER 4 HG SER 4 27.587 -5.359 12.424 26 H TRP 5 HN TRP 5 29.490 -8.229 9.678 27 HA TRP 5 HA TRP 5 28.215 -8.710 7.237 28 HB2 TRP 5 HB2 TRP 5 28.857 -10.266 9.688 29 HB3 TRP 5 HB1 TRP 5 27.793 -11.026 8.505 30 HD1 TRP 5 HD1 TRP 5 30.752 -8.680 7.719 31 HE1 TRP 5 HE1 TRP 5 32.456 -9.961 6.251 32 HE3 TRP 5 HE3 TRP 5 28.592 -13.316 7.729 33 HZ2 TRP 5 HZ2 TRP 5 32.831 -12.597 5.235 34 HZ3 TRP 5 HZ3 TRP 5 29.650 -15.193 6.499 35 HH2 TRP 5 HH2 TRP 5 31.764 -14.839 5.253 36 HA PRO 6 HA PRO 6 24.094 -9.602 9.561 37 HB2 PRO 6 HB2 PRO 6 23.862 -8.391 12.007 38 HB3 PRO 6 HB1 PRO 6 24.386 -10.062 11.791 39 HG2 PRO 6 HG2 PRO 6 25.994 -7.587 12.189 40 HG3 PRO 6 HG1 PRO 6 26.197 -9.191 12.915 41 HD2 PRO 6 HD2 PRO 6 27.740 -8.393 10.890 42 HD3 PRO 6 HD1 PRO 6 27.176 -10.059 11.005 43 H PHE 7 HN PHE 7 25.711 -6.477 10.149 44 HA PHE 7 HA PHE 7 23.361 -4.825 9.766 45 HB2 PHE 7 HB2 PHE 7 25.590 -4.193 10.812 46 HB3 PHE 7 HB1 PHE 7 26.283 -4.206 9.191 47 HD1 PHE 7 HD2 PHE 7 23.336 -2.770 11.031 48 HD2 PHE 7 HD1 PHE 7 26.325 -2.206 8.000 49 HE1 PHE 7 HE2 PHE 7 22.530 -0.453 10.667 50 HE2 PHE 7 HE1 PHE 7 25.521 0.112 7.637 51 HZ PHE 7 HZ PHE 7 23.625 0.988 8.971 52 H VAL 8 HN VAL 8 26.023 -5.885 7.601 53 HA VAL 8 HA VAL 8 24.931 -4.723 5.183 54 HB VAL 8 HB VAL 8 26.863 -6.988 5.795 55 HG11 VAL 8 HG11 VAL 8 26.072 -7.478 3.602 56 HG12 VAL 8 HG12 VAL 8 27.574 -6.586 3.361 57 HG13 VAL 8 HG13 VAL 8 26.024 -5.772 3.155 58 HG21 VAL 8 HG21 VAL 8 27.741 -4.859 6.470 59 HG22 VAL 8 HG22 VAL 8 27.156 -4.077 5.000 60 HG23 VAL 8 HG23 VAL 8 28.492 -5.225 4.916 61 H LEU 9 HN LEU 9 24.563 -7.841 6.828 62 HA LEU 9 HA LEU 9 23.206 -9.382 4.882 63 HB2 LEU 9 HB2 LEU 9 23.835 -9.492 7.616 64 HB3 LEU 9 HB1 LEU 9 22.081 -9.627 7.566 65 HG LEU 9 HG LEU 9 23.137 -11.851 7.427 66 HD11 LEU 9 HD11 LEU 9 21.032 -11.664 6.293 67 HD12 LEU 9 HD12 LEU 9 22.107 -12.548 5.208 68 HD13 LEU 9 HD13 LEU 9 21.773 -10.841 4.921 69 HD21 LEU 9 HD21 LEU 9 24.222 -11.187 4.713 70 HD22 LEU 9 HD22 LEU 9 24.752 -12.420 5.858 71 HD23 LEU 9 HD23 LEU 9 25.164 -10.727 6.131 72 H LEU 10 HN LEU 10 21.968 -6.877 7.087 73 HA LEU 10 HA LEU 10 19.209 -7.154 6.007 74 HB2 LEU 10 HB2 LEU 10 20.380 -6.537 8.478 75 HB3 LEU 10 HB1 LEU 10 19.731 -5.001 7.907 76 HG LEU 10 HG LEU 10 17.848 -7.141 7.395 77 HD11 LEU 10 HD11 LEU 10 17.304 -7.553 9.813 78 HD12 LEU 10 HD12 LEU 10 18.828 -6.771 10.238 79 HD13 LEU 10 HD13 LEU 10 18.835 -8.265 9.300 80 HD21 LEU 10 HD21 LEU 10 17.351 -4.709 7.492 81 HD22 LEU 10 HD22 LEU 10 17.753 -4.710 9.210 82 HD23 LEU 10 HD23 LEU 10 16.360 -5.623 8.630 83 H ILE 11 HN ILE 11 21.920 -4.822 6.043 84 HA ILE 11 HA ILE 11 20.525 -2.613 4.849 85 HB ILE 11 HB ILE 11 23.397 -3.533 5.013 86 HG12 ILE 11 HG12 ILE 11 22.193 -2.603 7.012 87 HG13 ILE 11 HG11 ILE 11 23.594 -1.648 6.533 88 HG21 ILE 11 HG21 ILE 11 22.266 -1.187 3.481 89 HG22 ILE 11 HG22 ILE 11 23.489 -2.350 2.967 90 HG23 ILE 11 HG23 ILE 11 23.889 -1.124 4.170 91 HD11 ILE 11 HD11 ILE 11 21.244 -0.739 5.109 92 HD12 ILE 11 HD12 ILE 11 22.304 0.167 6.188 93 HD13 ILE 11 HD13 ILE 11 20.939 -0.735 6.846 94 H MET 12 HN MET 12 22.312 -5.357 3.388 95 HA MET 12 HA MET 12 22.226 -4.506 0.687 96 HB2 MET 12 HB2 MET 12 23.508 -6.433 1.649 97 HB3 MET 12 HB1 MET 12 22.000 -7.333 1.770 98 HG2 MET 12 HG2 MET 12 21.693 -7.295 -0.621 99 HG3 MET 12 HG1 MET 12 23.031 -6.163 -0.825 100 HE1 MET 12 HE1 MET 12 25.622 -7.793 -1.822 101 HE2 MET 12 HE2 MET 12 24.132 -6.982 -2.287 102 HE3 MET 12 HE3 MET 12 24.360 -8.683 -2.682 103 HA PRO 13 HA PRO 13 18.062 -6.808 0.126 104 HB2 PRO 13 HB2 PRO 13 16.616 -7.386 2.380 105 HB3 PRO 13 HB1 PRO 13 17.785 -8.504 1.659 106 HG2 PRO 13 HG2 PRO 13 18.160 -6.648 3.939 107 HG3 PRO 13 HG1 PRO 13 18.625 -8.352 3.782 108 HD2 PRO 13 HD2 PRO 13 20.379 -6.398 3.432 109 HD3 PRO 13 HD1 PRO 13 20.467 -7.864 2.461 110 H LEU 14 HN LEU 14 18.687 -4.336 2.501 111 HA LEU 14 HA LEU 14 16.062 -3.092 2.510 112 HB2 LEU 14 HB2 LEU 14 18.050 -2.786 4.125 113 HB3 LEU 14 HB1 LEU 14 18.742 -1.730 2.891 114 HG LEU 14 HG LEU 14 16.067 -0.899 3.146 115 HD11 LEU 14 HD11 LEU 14 15.576 -1.802 5.216 116 HD12 LEU 14 HD12 LEU 14 16.339 -0.296 5.725 117 HD13 LEU 14 HD13 LEU 14 17.262 -1.799 5.735 118 HD21 LEU 14 HD21 LEU 14 17.289 1.047 4.403 119 HD22 LEU 14 HD22 LEU 14 17.698 0.726 2.719 120 HD23 LEU 14 HD23 LEU 14 18.754 0.147 4.008 121 H VAL 15 HN VAL 15 19.047 -2.606 0.650 122 HA VAL 15 HA VAL 15 18.001 -0.499 -1.070 123 HB VAL 15 HB VAL 15 20.165 -2.499 -1.765 124 HG11 VAL 15 HG11 VAL 15 19.192 -0.056 -2.874 125 HG12 VAL 15 HG12 VAL 15 20.548 -1.038 -3.430 126 HG13 VAL 15 HG13 VAL 15 20.816 0.251 -2.257 127 HG21 VAL 15 HG21 VAL 15 21.539 -0.453 -0.558 128 HG22 VAL 15 HG22 VAL 15 21.125 -1.964 0.251 129 HG23 VAL 15 HG23 VAL 15 20.108 -0.540 0.469 130 H ILE 16 HN ILE 16 18.368 -4.026 -1.279 131 HA ILE 16 HA ILE 16 17.590 -4.515 -3.912 132 HB ILE 16 HB ILE 16 17.098 -6.002 -1.316 133 HG12 ILE 16 HG12 ILE 16 19.050 -6.374 -3.607 134 HG13 ILE 16 HG11 ILE 16 19.444 -5.763 -2.006 135 HG21 ILE 16 HG21 ILE 16 17.033 -7.751 -3.588 136 HG22 ILE 16 HG22 ILE 16 15.830 -6.485 -3.831 137 HG23 ILE 16 HG23 ILE 16 15.777 -7.485 -2.380 138 HD11 ILE 16 HD11 ILE 16 18.424 -8.015 -1.166 139 HD12 ILE 16 HD12 ILE 16 20.048 -8.025 -1.852 140 HD13 ILE 16 HD13 ILE 16 18.675 -8.553 -2.826 141 H TRP 17 HN TRP 17 15.377 -4.443 -1.064 142 HA TRP 17 HA TRP 17 12.970 -4.587 -2.574 143 HB2 TRP 17 HB2 TRP 17 12.144 -4.751 -0.523 144 HB3 TRP 17 HB1 TRP 17 13.733 -4.517 0.102 145 HD1 TRP 17 HD1 TRP 17 14.146 -2.276 1.402 146 HE1 TRP 17 HE1 TRP 17 12.715 -0.190 1.908 147 HE3 TRP 17 HE3 TRP 17 10.427 -3.141 -1.766 148 HZ2 TRP 17 HZ2 TRP 17 10.235 0.964 0.992 149 HZ3 TRP 17 HZ3 TRP 17 8.492 -1.576 -2.013 150 HH2 TRP 17 HH2 TRP 17 8.410 0.493 -0.635 151 H VAL 18 HN VAL 18 14.618 -1.799 -1.146 152 HA VAL 18 HA VAL 18 12.818 0.166 -1.905 153 HB VAL 18 HB VAL 18 15.779 0.043 -1.402 154 HG11 VAL 18 HG11 VAL 18 15.688 1.748 -3.120 155 HG12 VAL 18 HG12 VAL 18 15.845 2.558 -1.562 156 HG13 VAL 18 HG13 VAL 18 14.277 2.494 -2.369 157 HG21 VAL 18 HG21 VAL 18 14.879 1.842 0.314 158 HG22 VAL 18 HG22 VAL 18 14.594 0.125 0.598 159 HG23 VAL 18 HG23 VAL 18 13.315 1.131 -0.082 160 H TYR 19 HN TYR 19 15.653 -1.024 -3.766 161 HA TYR 19 HA TYR 19 14.701 0.467 -6.176 162 HB2 TYR 19 HB2 TYR 19 17.131 0.343 -5.140 163 HB3 TYR 19 HB1 TYR 19 17.209 -1.190 -6.008 164 HD1 TYR 19 HD1 TYR 19 16.932 -1.242 -8.488 165 HD2 TYR 19 HD2 TYR 19 17.146 2.446 -6.297 166 HE1 TYR 19 HE1 TYR 19 17.394 -0.014 -10.597 167 HE2 TYR 19 HE2 TYR 19 17.606 3.672 -8.407 168 HH TYR 19 HH TYR 19 18.731 2.546 -10.973 169 H SER 20 HN SER 20 12.850 -1.357 -5.917 170 HA SER 20 HA SER 20 13.653 -3.671 -7.660 171 HB2 SER 20 HB2 SER 20 12.204 -3.475 -5.070 172 HB3 SER 20 HB1 SER 20 11.554 -4.624 -6.235 173 HG SER 20 HG SER 20 14.150 -4.504 -5.074 Start of MODEL 7 1 H1 ASP 1 HT1 ASP 1 29.464 -2.892 3.718 2 H2 ASP 1 HT2 ASP 1 30.397 -1.524 3.336 3 H3 ASP 1 HT3 ASP 1 29.182 -1.422 4.517 4 HA ASP 1 HA ASP 1 31.801 -1.815 5.068 5 HB2 ASP 1 HB2 ASP 1 29.999 -1.082 6.599 6 HB3 ASP 1 HB1 ASP 1 29.274 -2.689 6.534 7 H GLY 2 HN GLY 2 32.884 -3.671 6.159 8 HA2 GLY 2 HA2 GLY 2 31.986 -6.337 5.118 9 HA3 GLY 2 HA1 GLY 2 33.677 -5.846 5.040 10 H ILE 3 HN ILE 3 32.378 -4.587 7.862 11 HA ILE 3 HA ILE 3 33.644 -6.712 9.497 12 HB ILE 3 HB ILE 3 32.779 -3.865 9.921 13 HG12 ILE 3 HG12 ILE 3 35.521 -4.805 10.525 14 HG13 ILE 3 HG11 ILE 3 35.055 -4.852 8.823 15 HG21 ILE 3 HG21 ILE 3 33.883 -4.135 12.200 16 HG22 ILE 3 HG22 ILE 3 33.780 -5.877 11.942 17 HG23 ILE 3 HG23 ILE 3 32.308 -4.907 12.022 18 HD11 ILE 3 HD11 ILE 3 35.000 -2.453 10.669 19 HD12 ILE 3 HD12 ILE 3 34.270 -2.462 9.063 20 HD13 ILE 3 HD13 ILE 3 36.010 -2.679 9.242 21 H SER 4 HN SER 4 30.665 -4.692 9.623 22 HA SER 4 HA SER 4 29.373 -6.649 11.420 23 HB2 SER 4 HB2 SER 4 29.141 -4.113 11.505 24 HB3 SER 4 HB1 SER 4 28.180 -4.235 10.031 25 HG SER 4 HG SER 4 27.521 -4.838 12.620 26 H TRP 5 HN TRP 5 29.545 -8.430 9.811 27 HA TRP 5 HA TRP 5 28.361 -8.508 7.278 28 HB2 TRP 5 HB2 TRP 5 28.828 -10.525 9.448 29 HB3 TRP 5 HB1 TRP 5 28.066 -11.010 7.933 30 HD1 TRP 5 HD1 TRP 5 30.804 -8.338 8.146 31 HE1 TRP 5 HE1 TRP 5 32.874 -9.152 6.854 32 HE3 TRP 5 HE3 TRP 5 29.325 -13.102 7.056 33 HZ2 TRP 5 HZ2 TRP 5 33.784 -11.524 5.531 34 HZ3 TRP 5 HZ3 TRP 5 30.814 -14.616 5.780 35 HH2 TRP 5 HH2 TRP 5 33.039 -13.836 5.016 36 HA PRO 6 HA PRO 6 24.201 -9.773 9.350 37 HB2 PRO 6 HB2 PRO 6 23.849 -8.800 11.882 38 HB3 PRO 6 HB1 PRO 6 24.422 -10.431 11.535 39 HG2 PRO 6 HG2 PRO 6 25.947 -7.976 12.238 40 HG3 PRO 6 HG1 PRO 6 26.165 -9.642 12.802 41 HD2 PRO 6 HD2 PRO 6 27.753 -8.592 10.929 42 HD3 PRO 6 HD1 PRO 6 27.254 -10.278 10.871 43 H PHE 7 HN PHE 7 25.646 -6.646 10.425 44 HA PHE 7 HA PHE 7 23.254 -5.081 10.022 45 HB2 PHE 7 HB2 PHE 7 25.388 -4.437 11.244 46 HB3 PHE 7 HB1 PHE 7 26.155 -4.243 9.671 47 HD1 PHE 7 HD1 PHE 7 22.681 -3.362 10.782 48 HD2 PHE 7 HD2 PHE 7 26.491 -1.937 9.402 49 HE1 PHE 7 HE1 PHE 7 21.764 -1.065 10.620 50 HE2 PHE 7 HE2 PHE 7 25.571 0.360 9.239 51 HZ PHE 7 HZ PHE 7 23.208 0.795 9.848 52 H VAL 8 HN VAL 8 26.034 -5.868 7.892 53 HA VAL 8 HA VAL 8 25.018 -4.495 5.550 54 HB VAL 8 HB VAL 8 26.941 -6.810 5.986 55 HG11 VAL 8 HG11 VAL 8 25.999 -5.440 3.509 56 HG12 VAL 8 HG12 VAL 8 26.541 -7.103 3.739 57 HG13 VAL 8 HG13 VAL 8 27.722 -5.798 3.628 58 HG21 VAL 8 HG21 VAL 8 27.122 -3.867 6.098 59 HG22 VAL 8 HG22 VAL 8 28.374 -4.628 5.118 60 HG23 VAL 8 HG23 VAL 8 28.180 -5.086 6.809 61 H LEU 9 HN LEU 9 24.615 -7.745 6.902 62 HA LEU 9 HA LEU 9 23.388 -9.139 4.773 63 HB2 LEU 9 HB2 LEU 9 24.028 -9.672 7.324 64 HB3 LEU 9 HB1 LEU 9 22.301 -9.405 7.546 65 HG LEU 9 HG LEU 9 22.476 -11.000 5.247 66 HD11 LEU 9 HD11 LEU 9 24.566 -11.687 7.292 67 HD12 LEU 9 HD12 LEU 9 24.671 -11.741 5.532 68 HD13 LEU 9 HD13 LEU 9 23.758 -12.976 6.399 69 HD21 LEU 9 HD21 LEU 9 21.936 -11.743 8.141 70 HD22 LEU 9 HD22 LEU 9 21.501 -12.732 6.748 71 HD23 LEU 9 HD23 LEU 9 20.748 -11.154 6.976 72 H LEU 10 HN LEU 10 21.984 -6.805 7.070 73 HA LEU 10 HA LEU 10 19.286 -7.067 5.859 74 HB2 LEU 10 HB2 LEU 10 20.541 -6.006 8.315 75 HB3 LEU 10 HB1 LEU 10 19.213 -5.020 7.705 76 HG LEU 10 HG LEU 10 18.147 -7.515 7.436 77 HD11 LEU 10 HD11 LEU 10 20.037 -8.627 8.489 78 HD12 LEU 10 HD12 LEU 10 18.655 -8.698 9.580 79 HD13 LEU 10 HD13 LEU 10 19.949 -7.537 9.872 80 HD21 LEU 10 HD21 LEU 10 16.704 -6.140 8.541 81 HD22 LEU 10 HD22 LEU 10 18.001 -5.324 9.414 82 HD23 LEU 10 HD23 LEU 10 17.389 -6.874 9.990 83 H ILE 11 HN ILE 11 22.047 -4.838 5.868 84 HA ILE 11 HA ILE 11 20.696 -2.554 4.726 85 HB ILE 11 HB ILE 11 23.566 -3.557 4.763 86 HG12 ILE 11 HG12 ILE 11 22.263 -1.185 6.149 87 HG13 ILE 11 HG11 ILE 11 22.583 -2.733 6.926 88 HG21 ILE 11 HG21 ILE 11 24.081 -1.128 4.053 89 HG22 ILE 11 HG22 ILE 11 22.407 -1.069 3.500 90 HG23 ILE 11 HG23 ILE 11 23.528 -2.237 2.798 91 HD11 ILE 11 HD11 ILE 11 24.354 -0.562 6.702 92 HD12 ILE 11 HD12 ILE 11 24.954 -1.776 5.573 93 HD13 ILE 11 HD13 ILE 11 24.733 -2.187 7.274 94 H MET 12 HN MET 12 22.399 -5.345 3.259 95 HA MET 12 HA MET 12 22.315 -4.499 0.554 96 HB2 MET 12 HB2 MET 12 23.536 -6.467 1.530 97 HB3 MET 12 HB1 MET 12 22.000 -7.318 1.632 98 HG2 MET 12 HG2 MET 12 22.064 -7.853 -0.557 99 HG3 MET 12 HG1 MET 12 22.402 -6.187 -1.018 100 HE1 MET 12 HE1 MET 12 24.201 -7.532 -3.085 101 HE2 MET 12 HE2 MET 12 23.177 -8.727 -2.294 102 HE3 MET 12 HE3 MET 12 24.908 -9.013 -2.434 103 HA PRO 13 HA PRO 13 18.064 -6.649 0.028 104 HB2 PRO 13 HB2 PRO 13 16.619 -7.196 2.285 105 HB3 PRO 13 HB1 PRO 13 17.753 -8.347 1.556 106 HG2 PRO 13 HG2 PRO 13 18.184 -6.513 3.842 107 HG3 PRO 13 HG1 PRO 13 18.609 -8.226 3.673 108 HD2 PRO 13 HD2 PRO 13 20.403 -6.298 3.327 109 HD3 PRO 13 HD1 PRO 13 20.463 -7.774 2.364 110 H LEU 14 HN LEU 14 18.805 -4.215 2.402 111 HA LEU 14 HA LEU 14 16.221 -2.892 2.476 112 HB2 LEU 14 HB2 LEU 14 18.447 -2.722 3.932 113 HB3 LEU 14 HB1 LEU 14 18.828 -1.437 2.788 114 HG LEU 14 HG LEU 14 17.678 -0.561 4.805 115 HD11 LEU 14 HD11 LEU 14 16.033 0.775 3.659 116 HD12 LEU 14 HD12 LEU 14 15.858 -0.436 2.389 117 HD13 LEU 14 HD13 LEU 14 17.358 0.481 2.532 118 HD21 LEU 14 HD21 LEU 14 16.341 -2.658 5.211 119 HD22 LEU 14 HD22 LEU 14 15.302 -2.191 3.864 120 HD23 LEU 14 HD23 LEU 14 15.391 -1.174 5.301 121 H VAL 15 HN VAL 15 19.165 -2.543 0.537 122 HA VAL 15 HA VAL 15 18.172 -0.370 -1.143 123 HB VAL 15 HB VAL 15 20.239 -2.443 -1.907 124 HG11 VAL 15 HG11 VAL 15 20.160 0.566 -2.297 125 HG12 VAL 15 HG12 VAL 15 19.580 -0.602 -3.485 126 HG13 VAL 15 HG13 VAL 15 21.287 -0.568 -3.040 127 HG21 VAL 15 HG21 VAL 15 21.189 -2.000 0.151 128 HG22 VAL 15 HG22 VAL 15 20.327 -0.473 0.337 129 HG23 VAL 15 HG23 VAL 15 21.761 -0.556 -0.683 130 H ILE 16 HN ILE 16 18.352 -3.908 -1.328 131 HA ILE 16 HA ILE 16 17.495 -4.338 -3.963 132 HB ILE 16 HB ILE 16 17.057 -5.857 -1.373 133 HG12 ILE 16 HG12 ILE 16 18.901 -6.336 -3.735 134 HG13 ILE 16 HG11 ILE 16 19.392 -5.601 -2.214 135 HG21 ILE 16 HG21 ILE 16 15.974 -6.367 -4.073 136 HG22 ILE 16 HG22 ILE 16 15.463 -7.013 -2.514 137 HG23 ILE 16 HG23 ILE 16 16.829 -7.736 -3.361 138 HD11 ILE 16 HD11 ILE 16 18.128 -7.917 -1.386 139 HD12 ILE 16 HD12 ILE 16 19.872 -7.714 -1.549 140 HD13 ILE 16 HD13 ILE 16 18.941 -8.427 -2.866 141 H TRP 17 HN TRP 17 15.328 -4.542 -1.088 142 HA TRP 17 HA TRP 17 12.865 -4.556 -2.384 143 HB2 TRP 17 HB2 TRP 17 12.171 -4.538 -0.277 144 HB3 TRP 17 HB1 TRP 17 13.811 -4.326 0.217 145 HD1 TRP 17 HD1 TRP 17 14.416 -2.003 1.287 146 HE1 TRP 17 HE1 TRP 17 13.093 0.156 1.767 147 HE3 TRP 17 HE3 TRP 17 10.397 -2.983 -1.445 148 HZ2 TRP 17 HZ2 TRP 17 10.563 1.316 1.004 149 HZ3 TRP 17 HZ3 TRP 17 8.481 -1.381 -1.625 150 HH2 TRP 17 HH2 TRP 17 8.580 0.785 -0.404 151 H VAL 18 HN VAL 18 14.646 -1.687 -1.317 152 HA VAL 18 HA VAL 18 12.813 0.251 -2.024 153 HB VAL 18 HB VAL 18 15.803 0.076 -1.853 154 HG11 VAL 18 HG11 VAL 18 16.141 1.766 -3.311 155 HG12 VAL 18 HG12 VAL 18 15.292 2.805 -2.166 156 HG13 VAL 18 HG13 VAL 18 14.409 2.051 -3.491 157 HG21 VAL 18 HG21 VAL 18 15.079 0.568 0.244 158 HG22 VAL 18 HG22 VAL 18 13.519 1.156 -0.332 159 HG23 VAL 18 HG23 VAL 18 14.929 2.215 -0.365 160 H TYR 19 HN TYR 19 15.110 -1.462 -4.133 161 HA TYR 19 HA TYR 19 14.207 0.053 -6.524 162 HB2 TYR 19 HB2 TYR 19 16.613 -0.562 -5.998 163 HB3 TYR 19 HB1 TYR 19 16.170 -2.246 -6.277 164 HD1 TYR 19 HD1 TYR 19 16.379 1.112 -7.856 165 HD2 TYR 19 HD2 TYR 19 15.857 -3.102 -8.495 166 HE1 TYR 19 HE1 TYR 19 16.629 1.449 -10.302 167 HE2 TYR 19 HE2 TYR 19 16.111 -2.762 -10.941 168 HH TYR 19 HH TYR 19 15.639 -0.393 -12.513 169 H SER 20 HN SER 20 14.132 -3.283 -5.214 170 HA SER 20 HA SER 20 11.616 -3.904 -6.525 171 HB2 SER 20 HB2 SER 20 14.230 -4.632 -7.805 172 HB3 SER 20 HB1 SER 20 12.895 -5.772 -7.928 173 HG SER 20 HG SER 20 12.583 -3.010 -8.524 Start of MODEL 8 1 H1 ASP 1 HT1 ASP 1 36.097 -5.795 2.564 2 H2 ASP 1 HT2 ASP 1 37.145 -6.834 3.406 3 H3 ASP 1 HT3 ASP 1 36.501 -5.464 4.178 4 HA ASP 1 HA ASP 1 34.986 -7.876 3.298 5 HB2 ASP 1 HB2 ASP 1 36.599 -7.578 5.432 6 HB3 ASP 1 HB1 ASP 1 35.150 -6.818 6.090 7 H GLY 2 HN GLY 2 32.864 -7.563 4.999 8 HA2 GLY 2 HA2 GLY 2 31.582 -5.050 4.000 9 HA3 GLY 2 HA1 GLY 2 30.711 -6.508 4.475 10 H ILE 3 HN ILE 3 31.102 -3.468 5.467 11 HA ILE 3 HA ILE 3 31.927 -3.489 8.177 12 HB ILE 3 HB ILE 3 31.447 -1.474 6.843 13 HG12 ILE 3 HG12 ILE 3 29.367 -1.075 8.878 14 HG13 ILE 3 HG11 ILE 3 30.822 -1.837 9.521 15 HG21 ILE 3 HG21 ILE 3 29.125 -2.814 6.118 16 HG22 ILE 3 HG22 ILE 3 29.494 -1.129 5.755 17 HG23 ILE 3 HG23 ILE 3 28.539 -1.535 7.180 18 HD11 ILE 3 HD11 ILE 3 30.933 0.621 7.764 19 HD12 ILE 3 HD12 ILE 3 32.206 -0.038 8.790 20 HD13 ILE 3 HD13 ILE 3 30.792 0.723 9.518 21 H SER 4 HN SER 4 31.209 -5.150 9.505 22 HA SER 4 HA SER 4 29.739 -6.384 10.875 23 HB2 SER 4 HB2 SER 4 28.942 -4.153 11.505 24 HB3 SER 4 HB1 SER 4 27.898 -4.102 10.086 25 HG SER 4 HG SER 4 27.407 -5.172 12.485 26 H TRP 5 HN TRP 5 29.532 -8.254 9.649 27 HA TRP 5 HA TRP 5 28.228 -8.673 7.231 28 HB2 TRP 5 HB2 TRP 5 28.796 -10.323 9.652 29 HB3 TRP 5 HB1 TRP 5 27.840 -11.032 8.352 30 HD1 TRP 5 HD1 TRP 5 30.576 -8.506 7.545 31 HE1 TRP 5 HE1 TRP 5 32.496 -9.701 6.285 32 HE3 TRP 5 HE3 TRP 5 29.046 -13.358 8.042 33 HZ2 TRP 5 HZ2 TRP 5 33.257 -12.365 5.594 34 HZ3 TRP 5 HZ3 TRP 5 30.389 -15.203 7.073 35 HH2 TRP 5 HH2 TRP 5 32.491 -14.714 5.851 36 HA PRO 6 HA PRO 6 24.101 -9.584 9.542 37 HB2 PRO 6 HB2 PRO 6 23.863 -8.363 11.983 38 HB3 PRO 6 HB1 PRO 6 24.383 -10.036 11.777 39 HG2 PRO 6 HG2 PRO 6 25.997 -7.564 12.172 40 HG3 PRO 6 HG1 PRO 6 26.192 -9.167 12.904 41 HD2 PRO 6 HD2 PRO 6 27.744 -8.378 10.883 42 HD3 PRO 6 HD1 PRO 6 27.177 -10.041 11.002 43 H PHE 7 HN PHE 7 25.717 -6.456 10.159 44 HA PHE 7 HA PHE 7 23.379 -4.801 9.748 45 HB2 PHE 7 HB2 PHE 7 25.597 -4.160 10.803 46 HB3 PHE 7 HB1 PHE 7 26.307 -4.192 9.190 47 HD1 PHE 7 HD2 PHE 7 23.305 -2.752 10.942 48 HD2 PHE 7 HD1 PHE 7 26.401 -2.189 8.018 49 HE1 PHE 7 HE2 PHE 7 22.504 -0.440 10.540 50 HE2 PHE 7 HE1 PHE 7 25.600 0.126 7.617 51 HZ PHE 7 HZ PHE 7 23.652 0.999 8.880 52 H VAL 8 HN VAL 8 26.060 -5.839 7.592 53 HA VAL 8 HA VAL 8 24.971 -4.699 5.164 54 HB VAL 8 HB VAL 8 26.895 -6.960 5.814 55 HG11 VAL 8 HG11 VAL 8 27.126 -5.830 3.134 56 HG12 VAL 8 HG12 VAL 8 25.573 -6.628 3.375 57 HG13 VAL 8 HG13 VAL 8 27.071 -7.519 3.634 58 HG21 VAL 8 HG21 VAL 8 27.500 -4.562 6.365 59 HG22 VAL 8 HG22 VAL 8 27.403 -4.210 4.640 60 HG23 VAL 8 HG23 VAL 8 28.604 -5.354 5.240 61 H LEU 9 HN LEU 9 24.577 -7.789 6.845 62 HA LEU 9 HA LEU 9 23.234 -9.356 4.914 63 HB2 LEU 9 HB2 LEU 9 24.007 -9.724 7.427 64 HB3 LEU 9 HB1 LEU 9 22.336 -9.294 7.782 65 HG LEU 9 HG LEU 9 22.089 -11.087 5.678 66 HD11 LEU 9 HD11 LEU 9 24.565 -11.614 7.215 67 HD12 LEU 9 HD12 LEU 9 24.115 -12.131 5.591 68 HD13 LEU 9 HD13 LEU 9 23.499 -13.002 6.995 69 HD21 LEU 9 HD21 LEU 9 21.618 -12.704 7.732 70 HD22 LEU 9 HD22 LEU 9 20.565 -11.326 7.413 71 HD23 LEU 9 HD23 LEU 9 21.806 -11.216 8.659 72 H LEU 10 HN LEU 10 21.948 -6.837 7.098 73 HA LEU 10 HA LEU 10 19.211 -7.143 5.969 74 HB2 LEU 10 HB2 LEU 10 20.398 -6.405 8.451 75 HB3 LEU 10 HB1 LEU 10 19.543 -4.982 7.854 76 HG LEU 10 HG LEU 10 18.003 -7.438 7.472 77 HD11 LEU 10 HD11 LEU 10 18.685 -6.591 10.301 78 HD12 LEU 10 HD12 LEU 10 19.213 -8.085 9.532 79 HD13 LEU 10 HD13 LEU 10 17.499 -7.813 9.844 80 HD21 LEU 10 HD21 LEU 10 16.434 -5.898 8.945 81 HD22 LEU 10 HD22 LEU 10 16.782 -5.472 7.271 82 HD23 LEU 10 HD23 LEU 10 17.650 -4.672 8.581 83 H ILE 11 HN ILE 11 21.921 -4.816 5.990 84 HA ILE 11 HA ILE 11 20.524 -2.605 4.792 85 HB ILE 11 HB ILE 11 23.399 -3.528 4.929 86 HG12 ILE 11 HG12 ILE 11 22.256 -2.638 6.965 87 HG13 ILE 11 HG11 ILE 11 23.604 -1.626 6.450 88 HG21 ILE 11 HG21 ILE 11 23.245 -2.308 2.825 89 HG22 ILE 11 HG22 ILE 11 24.011 -1.266 4.023 90 HG23 ILE 11 HG23 ILE 11 22.318 -1.020 3.596 91 HD11 ILE 11 HD11 ILE 11 21.642 -0.427 5.056 92 HD12 ILE 11 HD12 ILE 11 22.024 0.027 6.716 93 HD13 ILE 11 HD13 ILE 11 20.676 -1.062 6.389 94 H MET 12 HN MET 12 22.350 -5.325 3.324 95 HA MET 12 HA MET 12 22.226 -4.512 0.618 96 HB2 MET 12 HB2 MET 12 23.536 -6.409 1.545 97 HB3 MET 12 HB1 MET 12 22.043 -7.308 1.784 98 HG2 MET 12 HG2 MET 12 21.629 -6.920 -0.744 99 HG3 MET 12 HG1 MET 12 23.338 -6.491 -0.817 100 HE1 MET 12 HE1 MET 12 24.761 -9.515 -1.813 101 HE2 MET 12 HE2 MET 12 25.401 -8.514 -0.514 102 HE3 MET 12 HE3 MET 12 24.537 -7.760 -1.851 103 HA PRO 13 HA PRO 13 18.067 -6.823 0.103 104 HB2 PRO 13 HB2 PRO 13 16.655 -7.431 2.368 105 HB3 PRO 13 HB1 PRO 13 17.829 -8.532 1.628 106 HG2 PRO 13 HG2 PRO 13 18.205 -6.694 3.920 107 HG3 PRO 13 HG1 PRO 13 18.691 -8.389 3.737 108 HD2 PRO 13 HD2 PRO 13 20.410 -6.394 3.391 109 HD3 PRO 13 HD1 PRO 13 20.520 -7.860 2.419 110 H LEU 14 HN LEU 14 18.712 -4.364 2.486 111 HA LEU 14 HA LEU 14 16.077 -3.139 2.552 112 HB2 LEU 14 HB2 LEU 14 18.150 -2.866 4.108 113 HB3 LEU 14 HB1 LEU 14 18.723 -1.716 2.900 114 HG LEU 14 HG LEU 14 15.909 -1.317 3.674 115 HD11 LEU 14 HD11 LEU 14 18.114 -0.825 5.695 116 HD12 LEU 14 HD12 LEU 14 16.867 -2.061 5.840 117 HD13 LEU 14 HD13 LEU 14 16.423 -0.354 5.866 118 HD21 LEU 14 HD21 LEU 14 17.354 0.993 4.156 119 HD22 LEU 14 HD22 LEU 14 16.599 0.568 2.619 120 HD23 LEU 14 HD23 LEU 14 18.300 0.202 2.897 121 H VAL 15 HN VAL 15 19.020 -2.667 0.634 122 HA VAL 15 HA VAL 15 17.962 -0.521 -1.039 123 HB VAL 15 HB VAL 15 20.119 -2.513 -1.774 124 HG11 VAL 15 HG11 VAL 15 19.439 -0.773 -3.411 125 HG12 VAL 15 HG12 VAL 15 21.109 -0.566 -2.881 126 HG13 VAL 15 HG13 VAL 15 19.842 0.475 -2.231 127 HG21 VAL 15 HG21 VAL 15 20.056 -0.708 0.542 128 HG22 VAL 15 HG22 VAL 15 21.411 -0.366 -0.533 129 HG23 VAL 15 HG23 VAL 15 21.212 -1.981 0.149 130 H ILE 16 HN ILE 16 18.324 -4.045 -1.298 131 HA ILE 16 HA ILE 16 17.533 -4.495 -3.934 132 HB ILE 16 HB ILE 16 17.041 -6.018 -1.358 133 HG12 ILE 16 HG12 ILE 16 18.952 -6.478 -3.669 134 HG13 ILE 16 HG11 ILE 16 19.395 -5.714 -2.149 135 HG21 ILE 16 HG21 ILE 16 15.525 -7.246 -2.520 136 HG22 ILE 16 HG22 ILE 16 16.917 -7.883 -3.395 137 HG23 ILE 16 HG23 ILE 16 16.001 -6.532 -4.061 138 HD11 ILE 16 HD11 ILE 16 19.344 -7.692 -0.984 139 HD12 ILE 16 HD12 ILE 16 19.699 -8.351 -2.580 140 HD13 ILE 16 HD13 ILE 16 18.045 -8.360 -1.972 141 H TRP 17 HN TRP 17 15.328 -4.455 -1.082 142 HA TRP 17 HA TRP 17 12.908 -4.564 -2.569 143 HB2 TRP 17 HB2 TRP 17 12.102 -4.717 -0.509 144 HB3 TRP 17 HB1 TRP 17 13.698 -4.493 0.102 145 HD1 TRP 17 HD1 TRP 17 14.143 -2.247 1.381 146 HE1 TRP 17 HE1 TRP 17 12.727 -0.157 1.906 147 HE3 TRP 17 HE3 TRP 17 10.376 -3.106 -1.730 148 HZ2 TRP 17 HZ2 TRP 17 10.240 1.006 1.024 149 HZ3 TRP 17 HZ3 TRP 17 8.443 -1.531 -1.952 150 HH2 TRP 17 HH2 TRP 17 8.389 0.540 -0.576 151 H VAL 18 HN VAL 18 14.585 -1.787 -1.145 152 HA VAL 18 HA VAL 18 12.788 0.177 -1.942 153 HB VAL 18 HB VAL 18 15.651 0.008 -1.166 154 HG11 VAL 18 HG11 VAL 18 15.763 2.593 -1.577 155 HG12 VAL 18 HG12 VAL 18 14.568 2.267 -2.833 156 HG13 VAL 18 HG13 VAL 18 16.153 1.496 -2.901 157 HG21 VAL 18 HG21 VAL 18 14.328 0.496 0.653 158 HG22 VAL 18 HG22 VAL 18 13.133 1.360 -0.313 159 HG23 VAL 18 HG23 VAL 18 14.653 2.144 0.119 160 H TYR 19 HN TYR 19 15.650 -1.065 -3.725 161 HA TYR 19 HA TYR 19 14.826 0.464 -6.154 162 HB2 TYR 19 HB2 TYR 19 17.218 0.243 -5.102 163 HB3 TYR 19 HB1 TYR 19 17.229 -1.344 -5.873 164 HD1 TYR 19 HD1 TYR 19 17.044 2.305 -6.461 165 HD2 TYR 19 HD2 TYR 19 17.342 -1.576 -8.281 166 HE1 TYR 19 HE1 TYR 19 17.604 3.365 -8.636 167 HE2 TYR 19 HE2 TYR 19 17.903 -0.511 -10.452 168 HH TYR 19 HH TYR 19 17.304 2.077 -11.430 169 H SER 20 HN SER 20 12.859 -1.219 -5.960 170 HA SER 20 HA SER 20 13.530 -3.556 -7.724 171 HB2 SER 20 HB2 SER 20 12.131 -3.367 -5.096 172 HB3 SER 20 HB1 SER 20 11.485 -4.514 -6.265 173 HG SER 20 HG SER 20 14.076 -4.386 -5.096 Start of MODEL 9 1 H1 ASP 1 HT1 ASP 1 29.740 -3.123 2.521 2 H2 ASP 1 HT2 ASP 1 29.927 -1.469 2.861 3 H3 ASP 1 HT3 ASP 1 28.758 -2.380 3.687 4 HA ASP 1 HA ASP 1 31.635 -2.176 4.158 5 HB2 ASP 1 HB2 ASP 1 29.929 -1.218 5.666 6 HB3 ASP 1 HB1 ASP 1 29.119 -2.781 5.769 7 H GLY 2 HN GLY 2 32.703 -3.950 5.352 8 HA2 GLY 2 HA2 GLY 2 31.651 -6.675 4.672 9 HA3 GLY 2 HA1 GLY 2 33.347 -6.265 4.421 10 H ILE 3 HN ILE 3 32.259 -4.658 7.166 11 HA ILE 3 HA ILE 3 33.637 -6.575 8.949 12 HB ILE 3 HB ILE 3 32.694 -3.727 9.121 13 HG12 ILE 3 HG12 ILE 3 34.756 -4.194 7.819 14 HG13 ILE 3 HG11 ILE 3 35.083 -3.222 9.251 15 HG21 ILE 3 HG21 ILE 3 33.483 -5.591 11.283 16 HG22 ILE 3 HG22 ILE 3 32.487 -4.137 11.358 17 HG23 ILE 3 HG23 ILE 3 34.245 -4.001 11.327 18 HD11 ILE 3 HD11 ILE 3 35.266 -5.957 10.029 19 HD12 ILE 3 HD12 ILE 3 36.562 -4.765 9.943 20 HD13 ILE 3 HD13 ILE 3 36.193 -5.767 8.539 21 H SER 4 HN SER 4 30.622 -4.603 9.094 22 HA SER 4 HA SER 4 29.486 -6.459 11.097 23 HB2 SER 4 HB2 SER 4 29.225 -3.924 11.053 24 HB3 SER 4 HB1 SER 4 28.165 -4.141 9.661 25 HG SER 4 HG SER 4 27.705 -4.618 12.326 26 H TRP 5 HN TRP 5 29.560 -8.334 9.617 27 HA TRP 5 HA TRP 5 28.260 -8.611 7.164 28 HB2 TRP 5 HB2 TRP 5 28.844 -10.427 9.471 29 HB3 TRP 5 HB1 TRP 5 27.950 -11.049 8.084 30 HD1 TRP 5 HD1 TRP 5 30.776 -8.453 7.890 31 HE1 TRP 5 HE1 TRP 5 32.699 -9.421 6.483 32 HE3 TRP 5 HE3 TRP 5 29.032 -13.201 7.189 33 HZ2 TRP 5 HZ2 TRP 5 33.408 -11.894 5.225 34 HZ3 TRP 5 HZ3 TRP 5 30.353 -14.842 5.884 35 HH2 TRP 5 HH2 TRP 5 32.536 -14.196 4.901 36 HA PRO 6 HA PRO 6 24.175 -9.670 9.479 37 HB2 PRO 6 HB2 PRO 6 23.945 -8.545 11.963 38 HB3 PRO 6 HB1 PRO 6 24.479 -10.203 11.690 39 HG2 PRO 6 HG2 PRO 6 26.071 -7.734 12.173 40 HG3 PRO 6 HG1 PRO 6 26.288 -9.365 12.834 41 HD2 PRO 6 HD2 PRO 6 27.812 -8.469 10.833 42 HD3 PRO 6 HD1 PRO 6 27.276 -10.144 10.896 43 H PHE 7 HN PHE 7 25.718 -6.511 10.288 44 HA PHE 7 HA PHE 7 23.339 -4.920 9.897 45 HB2 PHE 7 HB2 PHE 7 25.517 -4.220 10.976 46 HB3 PHE 7 HB1 PHE 7 26.247 -4.195 9.372 47 HD1 PHE 7 HD2 PHE 7 23.151 -2.912 11.080 48 HD2 PHE 7 HD1 PHE 7 26.317 -2.142 8.280 49 HE1 PHE 7 HE2 PHE 7 22.276 -0.620 10.724 50 HE2 PHE 7 HE1 PHE 7 25.444 0.153 7.926 51 HZ PHE 7 HZ PHE 7 23.423 0.914 9.147 52 H VAL 8 HN VAL 8 26.009 -5.888 7.700 53 HA VAL 8 HA VAL 8 24.906 -4.646 5.327 54 HB VAL 8 HB VAL 8 26.817 -6.958 5.829 55 HG11 VAL 8 HG11 VAL 8 26.092 -5.538 3.249 56 HG12 VAL 8 HG12 VAL 8 25.904 -7.254 3.604 57 HG13 VAL 8 HG13 VAL 8 27.517 -6.560 3.438 58 HG21 VAL 8 HG21 VAL 8 27.614 -4.315 4.681 59 HG22 VAL 8 HG22 VAL 8 28.515 -5.390 5.750 60 HG23 VAL 8 HG23 VAL 8 27.230 -4.372 6.401 61 H LEU 9 HN LEU 9 24.542 -7.816 6.872 62 HA LEU 9 HA LEU 9 23.194 -9.316 4.911 63 HB2 LEU 9 HB2 LEU 9 23.926 -9.710 7.447 64 HB3 LEU 9 HB1 LEU 9 22.225 -9.358 7.746 65 HG LEU 9 HG LEU 9 22.104 -11.081 5.591 66 HD11 LEU 9 HD11 LEU 9 23.762 -12.772 7.234 67 HD12 LEU 9 HD12 LEU 9 24.694 -11.375 6.697 68 HD13 LEU 9 HD13 LEU 9 23.908 -12.419 5.513 69 HD21 LEU 9 HD21 LEU 9 20.770 -11.048 7.740 70 HD22 LEU 9 HD22 LEU 9 22.100 -11.919 8.504 71 HD23 LEU 9 HD23 LEU 9 21.207 -12.662 7.179 72 H LEU 10 HN LEU 10 21.856 -6.884 7.163 73 HA LEU 10 HA LEU 10 19.153 -7.146 5.948 74 HB2 LEU 10 HB2 LEU 10 20.331 -6.360 8.464 75 HB3 LEU 10 HB1 LEU 10 19.320 -5.047 7.866 76 HG LEU 10 HG LEU 10 17.975 -7.556 7.427 77 HD11 LEU 10 HD11 LEU 10 18.467 -8.730 9.279 78 HD12 LEU 10 HD12 LEU 10 17.835 -7.406 10.255 79 HD13 LEU 10 HD13 LEU 10 19.546 -7.454 9.838 80 HD21 LEU 10 HD21 LEU 10 17.326 -4.958 7.985 81 HD22 LEU 10 HD22 LEU 10 17.034 -5.720 9.548 82 HD23 LEU 10 HD23 LEU 10 16.194 -6.304 8.113 83 H ILE 11 HN ILE 11 21.863 -4.816 6.122 84 HA ILE 11 HA ILE 11 20.487 -2.591 4.911 85 HB ILE 11 HB ILE 11 23.364 -3.468 5.202 86 HG12 ILE 11 HG12 ILE 11 22.063 -2.616 7.171 87 HG13 ILE 11 HG11 ILE 11 23.457 -1.617 6.772 88 HG21 ILE 11 HG21 ILE 11 23.845 -1.024 4.459 89 HG22 ILE 11 HG22 ILE 11 22.268 -1.107 3.675 90 HG23 ILE 11 HG23 ILE 11 23.547 -2.228 3.204 91 HD11 ILE 11 HD11 ILE 11 20.556 -1.052 6.091 92 HD12 ILE 11 HD12 ILE 11 21.909 -0.122 5.450 93 HD13 ILE 11 HD13 ILE 11 21.593 -0.135 7.184 94 H MET 12 HN MET 12 22.327 -5.322 3.502 95 HA MET 12 HA MET 12 22.359 -4.403 0.807 96 HB2 MET 12 HB2 MET 12 23.528 -6.430 1.925 97 HB3 MET 12 HB1 MET 12 22.033 -7.305 1.583 98 HG2 MET 12 HG2 MET 12 22.673 -7.589 -0.555 99 HG3 MET 12 HG1 MET 12 22.792 -5.841 -0.762 100 HE1 MET 12 HE1 MET 12 25.480 -7.438 -2.441 101 HE2 MET 12 HE2 MET 12 24.054 -8.302 -1.867 102 HE3 MET 12 HE3 MET 12 25.655 -8.791 -1.317 103 HA PRO 13 HA PRO 13 18.212 -6.677 0.043 104 HB2 PRO 13 HB2 PRO 13 16.676 -7.286 2.222 105 HB3 PRO 13 HB1 PRO 13 17.863 -8.405 1.529 106 HG2 PRO 13 HG2 PRO 13 18.160 -6.599 3.858 107 HG3 PRO 13 HG1 PRO 13 18.617 -8.303 3.685 108 HD2 PRO 13 HD2 PRO 13 20.401 -6.356 3.448 109 HD3 PRO 13 HD1 PRO 13 20.514 -7.807 2.453 110 H LEU 14 HN LEU 14 18.762 -4.284 2.519 111 HA LEU 14 HA LEU 14 16.147 -3.031 2.499 112 HB2 LEU 14 HB2 LEU 14 18.151 -2.794 4.141 113 HB3 LEU 14 HB1 LEU 14 18.790 -1.639 2.972 114 HG LEU 14 HG LEU 14 16.070 -0.957 3.316 115 HD11 LEU 14 HD11 LEU 14 16.401 -2.413 5.439 116 HD12 LEU 14 HD12 LEU 14 15.705 -0.806 5.638 117 HD13 LEU 14 HD13 LEU 14 17.404 -1.082 6.014 118 HD21 LEU 14 HD21 LEU 14 18.517 0.291 3.201 119 HD22 LEU 14 HD22 LEU 14 18.049 0.573 4.877 120 HD23 LEU 14 HD23 LEU 14 16.996 1.105 3.567 121 H VAL 15 HN VAL 15 19.145 -2.553 0.671 122 HA VAL 15 HA VAL 15 18.139 -0.355 -0.968 123 HB VAL 15 HB VAL 15 20.304 -2.353 -1.674 124 HG11 VAL 15 HG11 VAL 15 20.986 0.372 -2.178 125 HG12 VAL 15 HG12 VAL 15 19.343 0.117 -2.763 126 HG13 VAL 15 HG13 VAL 15 20.656 -0.901 -3.350 127 HG21 VAL 15 HG21 VAL 15 20.298 -0.204 0.441 128 HG22 VAL 15 HG22 VAL 15 21.779 -0.507 -0.465 129 HG23 VAL 15 HG23 VAL 15 21.047 -1.800 0.481 130 H ILE 16 HN ILE 16 18.432 -3.873 -1.253 131 HA ILE 16 HA ILE 16 17.708 -4.248 -3.933 132 HB ILE 16 HB ILE 16 17.198 -5.856 -1.410 133 HG12 ILE 16 HG12 ILE 16 19.157 -6.263 -3.689 134 HG13 ILE 16 HG11 ILE 16 19.566 -5.458 -2.179 135 HG21 ILE 16 HG21 ILE 16 16.500 -6.448 -4.272 136 HG22 ILE 16 HG22 ILE 16 15.598 -6.824 -2.804 137 HG23 ILE 16 HG23 ILE 16 17.028 -7.766 -3.227 138 HD11 ILE 16 HD11 ILE 16 19.735 -8.192 -2.671 139 HD12 ILE 16 HD12 ILE 16 18.250 -8.027 -1.734 140 HD13 ILE 16 HD13 ILE 16 19.775 -7.424 -1.085 141 H TRP 17 HN TRP 17 15.427 -4.575 -1.164 142 HA TRP 17 HA TRP 17 13.022 -4.622 -2.575 143 HB2 TRP 17 HB2 TRP 17 12.232 -4.702 -0.505 144 HB3 TRP 17 HB1 TRP 17 13.842 -4.476 0.070 145 HD1 TRP 17 HD1 TRP 17 14.338 -2.191 1.272 146 HE1 TRP 17 HE1 TRP 17 12.944 -0.082 1.778 147 HE3 TRP 17 HE3 TRP 17 10.481 -3.129 -1.698 148 HZ2 TRP 17 HZ2 TRP 17 10.429 1.059 0.943 149 HZ3 TRP 17 HZ3 TRP 17 8.541 -1.560 -1.904 150 HH2 TRP 17 HH2 TRP 17 8.530 0.550 -0.584 151 H VAL 18 HN VAL 18 14.691 -1.753 -1.345 152 HA VAL 18 HA VAL 18 12.845 0.180 -2.010 153 HB VAL 18 HB VAL 18 15.856 0.070 -1.900 154 HG11 VAL 18 HG11 VAL 18 14.996 1.802 -3.665 155 HG12 VAL 18 HG12 VAL 18 16.150 2.334 -2.446 156 HG13 VAL 18 HG13 VAL 18 14.438 2.704 -2.256 157 HG21 VAL 18 HG21 VAL 18 14.678 0.081 0.205 158 HG22 VAL 18 HG22 VAL 18 13.667 1.430 -0.307 159 HG23 VAL 18 HG23 VAL 18 15.386 1.681 -0.007 160 H TYR 19 HN TYR 19 15.207 -1.403 -4.150 161 HA TYR 19 HA TYR 19 14.300 0.164 -6.508 162 HB2 TYR 19 HB2 TYR 19 16.718 -0.432 -5.924 163 HB3 TYR 19 HB1 TYR 19 16.311 -2.100 -6.324 164 HD1 TYR 19 HD2 TYR 19 15.791 -2.761 -8.629 165 HD2 TYR 19 HD1 TYR 19 16.820 1.296 -7.649 166 HE1 TYR 19 HE2 TYR 19 16.144 -2.266 -11.036 167 HE2 TYR 19 HE1 TYR 19 17.173 1.785 -10.056 168 HH TYR 19 HH TYR 19 17.748 -0.259 -12.279 169 H SER 20 HN SER 20 14.302 -3.211 -5.297 170 HA SER 20 HA SER 20 11.826 -3.853 -6.691 171 HB2 SER 20 HB2 SER 20 14.502 -4.549 -7.866 172 HB3 SER 20 HB1 SER 20 13.168 -5.677 -8.073 173 HG SER 20 HG SER 20 12.835 -2.913 -8.606 Start of MODEL 10 1 H1 ASP 1 HT1 ASP 1 29.976 -3.031 1.499 2 H2 ASP 1 HT2 ASP 1 29.001 -1.894 2.302 3 H3 ASP 1 HT3 ASP 1 28.680 -3.556 2.458 4 HA ASP 1 HA ASP 1 31.204 -2.278 3.396 5 HB2 ASP 1 HB2 ASP 1 29.331 -1.302 4.616 6 HB3 ASP 1 HB1 ASP 1 28.537 -2.872 4.743 7 H GLY 2 HN GLY 2 32.353 -3.748 4.854 8 HA2 GLY 2 HA2 GLY 2 31.573 -6.627 4.636 9 HA3 GLY 2 HA1 GLY 2 33.217 -6.131 4.236 10 H ILE 3 HN ILE 3 31.834 -4.277 6.762 11 HA ILE 3 HA ILE 3 33.630 -5.539 8.745 12 HB ILE 3 HB ILE 3 32.012 -3.017 8.537 13 HG12 ILE 3 HG12 ILE 3 34.968 -3.255 9.029 14 HG13 ILE 3 HG11 ILE 3 34.320 -3.435 7.398 15 HG21 ILE 3 HG21 ILE 3 32.301 -4.179 10.939 16 HG22 ILE 3 HG22 ILE 3 32.409 -2.432 10.728 17 HG23 ILE 3 HG23 ILE 3 33.879 -3.401 10.826 18 HD11 ILE 3 HD11 ILE 3 33.020 -1.216 8.015 19 HD12 ILE 3 HD12 ILE 3 34.689 -1.146 7.450 20 HD13 ILE 3 HD13 ILE 3 34.336 -1.026 9.173 21 H SER 4 HN SER 4 30.219 -4.399 8.718 22 HA SER 4 HA SER 4 29.613 -6.378 10.874 23 HB2 SER 4 HB2 SER 4 29.043 -3.901 11.023 24 HB3 SER 4 HB1 SER 4 27.876 -4.176 9.731 25 HG SER 4 HG SER 4 27.726 -4.791 12.383 26 H TRP 5 HN TRP 5 29.545 -8.261 9.533 27 HA TRP 5 HA TRP 5 28.203 -8.629 7.111 28 HB2 TRP 5 HB2 TRP 5 28.906 -10.344 9.449 29 HB3 TRP 5 HB1 TRP 5 27.915 -11.036 8.164 30 HD1 TRP 5 HD1 TRP 5 30.717 -8.457 7.636 31 HE1 TRP 5 HE1 TRP 5 32.526 -9.509 6.134 32 HE3 TRP 5 HE3 TRP 5 28.916 -13.222 7.295 33 HZ2 TRP 5 HZ2 TRP 5 33.133 -12.037 4.949 34 HZ3 TRP 5 HZ3 TRP 5 30.131 -14.932 5.974 35 HH2 TRP 5 HH2 TRP 5 32.235 -14.345 4.801 36 HA PRO 6 HA PRO 6 24.181 -9.703 9.521 37 HB2 PRO 6 HB2 PRO 6 23.980 -8.539 11.990 38 HB3 PRO 6 HB1 PRO 6 24.533 -10.193 11.736 39 HG2 PRO 6 HG2 PRO 6 26.097 -7.693 12.143 40 HG3 PRO 6 HG1 PRO 6 26.349 -9.307 12.832 41 HD2 PRO 6 HD2 PRO 6 27.827 -8.434 10.787 42 HD3 PRO 6 HD1 PRO 6 27.309 -10.113 10.885 43 H PHE 7 HN PHE 7 25.687 -6.524 10.264 44 HA PHE 7 HA PHE 7 23.293 -4.958 9.873 45 HB2 PHE 7 HB2 PHE 7 25.528 -4.275 10.918 46 HB3 PHE 7 HB1 PHE 7 26.165 -4.168 9.277 47 HD1 PHE 7 HD2 PHE 7 23.108 -3.064 11.168 48 HD2 PHE 7 HD1 PHE 7 26.137 -2.063 8.289 49 HE1 PHE 7 HE2 PHE 7 22.136 -0.797 10.932 50 HE2 PHE 7 HE1 PHE 7 25.164 0.206 8.057 51 HZ PHE 7 HZ PHE 7 23.163 0.838 9.377 52 H VAL 8 HN VAL 8 25.979 -5.892 7.671 53 HA VAL 8 HA VAL 8 24.861 -4.696 5.287 54 HB VAL 8 HB VAL 8 26.783 -6.991 5.816 55 HG11 VAL 8 HG11 VAL 8 25.997 -7.401 3.613 56 HG12 VAL 8 HG12 VAL 8 27.485 -6.481 3.390 57 HG13 VAL 8 HG13 VAL 8 25.922 -5.681 3.233 58 HG21 VAL 8 HG21 VAL 8 28.369 -5.139 4.874 59 HG22 VAL 8 HG22 VAL 8 27.813 -5.003 6.541 60 HG23 VAL 8 HG23 VAL 8 27.053 -4.037 5.278 61 H LEU 9 HN LEU 9 24.500 -7.852 6.862 62 HA LEU 9 HA LEU 9 23.139 -9.344 4.884 63 HB2 LEU 9 HB2 LEU 9 23.902 -9.710 7.452 64 HB3 LEU 9 HB1 LEU 9 22.171 -9.490 7.698 65 HG LEU 9 HG LEU 9 22.628 -11.214 5.425 66 HD11 LEU 9 HD11 LEU 9 24.171 -12.694 6.140 67 HD12 LEU 9 HD12 LEU 9 23.478 -12.743 7.759 68 HD13 LEU 9 HD13 LEU 9 24.637 -11.483 7.334 69 HD21 LEU 9 HD21 LEU 9 20.791 -10.877 7.471 70 HD22 LEU 9 HD22 LEU 9 21.570 -12.405 7.890 71 HD23 LEU 9 HD23 LEU 9 20.799 -12.210 6.315 72 H LEU 10 HN LEU 10 21.896 -6.885 7.140 73 HA LEU 10 HA LEU 10 19.151 -7.148 6.013 74 HB2 LEU 10 HB2 LEU 10 20.109 -6.776 8.533 75 HB3 LEU 10 HB1 LEU 10 19.837 -5.099 8.056 76 HG LEU 10 HG LEU 10 17.589 -6.605 7.167 77 HD11 LEU 10 HD11 LEU 10 18.514 -8.188 8.999 78 HD12 LEU 10 HD12 LEU 10 16.811 -7.737 9.080 79 HD13 LEU 10 HD13 LEU 10 17.984 -6.946 10.133 80 HD21 LEU 10 HD21 LEU 10 18.199 -4.199 8.506 81 HD22 LEU 10 HD22 LEU 10 17.114 -5.081 9.582 82 HD23 LEU 10 HD23 LEU 10 16.619 -4.721 7.928 83 H ILE 11 HN ILE 11 21.886 -4.847 6.138 84 HA ILE 11 HA ILE 11 20.471 -2.620 4.967 85 HB ILE 11 HB ILE 11 23.361 -3.457 5.250 86 HG12 ILE 11 HG12 ILE 11 22.028 -2.632 7.214 87 HG13 ILE 11 HG11 ILE 11 23.408 -1.604 6.830 88 HG21 ILE 11 HG21 ILE 11 24.124 -1.475 4.198 89 HG22 ILE 11 HG22 ILE 11 22.517 -0.754 4.198 90 HG23 ILE 11 HG23 ILE 11 22.888 -2.079 3.097 91 HD11 ILE 11 HD11 ILE 11 21.119 -0.743 5.300 92 HD12 ILE 11 HD12 ILE 11 22.051 0.161 6.490 93 HD13 ILE 11 HD13 ILE 11 20.686 -0.828 7.007 94 H MET 12 HN MET 12 22.363 -5.307 3.534 95 HA MET 12 HA MET 12 22.392 -4.413 0.846 96 HB2 MET 12 HB2 MET 12 23.627 -6.358 1.811 97 HB3 MET 12 HB1 MET 12 22.113 -7.247 1.895 98 HG2 MET 12 HG2 MET 12 22.532 -7.948 -0.206 99 HG3 MET 12 HG1 MET 12 22.199 -6.299 -0.734 100 HE1 MET 12 HE1 MET 12 23.732 -6.412 -2.830 101 HE2 MET 12 HE2 MET 12 23.850 -8.119 -2.413 102 HE3 MET 12 HE3 MET 12 25.308 -7.218 -2.817 103 HA PRO 13 HA PRO 13 18.233 -6.679 0.082 104 HB2 PRO 13 HB2 PRO 13 16.710 -7.306 2.269 105 HB3 PRO 13 HB1 PRO 13 17.913 -8.407 1.575 106 HG2 PRO 13 HG2 PRO 13 18.191 -6.588 3.898 107 HG3 PRO 13 HG1 PRO 13 18.665 -8.289 3.731 108 HD2 PRO 13 HD2 PRO 13 20.423 -6.321 3.485 109 HD3 PRO 13 HD1 PRO 13 20.556 -7.775 2.498 110 H LEU 14 HN LEU 14 18.783 -4.263 2.534 111 HA LEU 14 HA LEU 14 16.155 -3.023 2.498 112 HB2 LEU 14 HB2 LEU 14 18.122 -2.779 4.179 113 HB3 LEU 14 HB1 LEU 14 18.791 -1.630 3.019 114 HG LEU 14 HG LEU 14 16.073 -0.931 3.282 115 HD11 LEU 14 HD11 LEU 14 15.483 -1.023 5.485 116 HD12 LEU 14 HD12 LEU 14 17.144 -0.819 6.047 117 HD13 LEU 14 HD13 LEU 14 16.585 -2.400 5.499 118 HD21 LEU 14 HD21 LEU 14 18.502 0.311 4.606 119 HD22 LEU 14 HD22 LEU 14 16.983 1.125 4.232 120 HD23 LEU 14 HD23 LEU 14 18.030 0.569 2.928 121 H VAL 15 HN VAL 15 19.155 -2.598 0.664 122 HA VAL 15 HA VAL 15 18.185 -0.367 -0.969 123 HB VAL 15 HB VAL 15 20.340 -2.389 -1.644 124 HG11 VAL 15 HG11 VAL 15 19.643 0.410 -2.442 125 HG12 VAL 15 HG12 VAL 15 20.215 -0.932 -3.432 126 HG13 VAL 15 HG13 VAL 15 21.346 -0.044 -2.413 127 HG21 VAL 15 HG21 VAL 15 21.670 -1.671 0.054 128 HG22 VAL 15 HG22 VAL 15 20.243 -0.906 0.751 129 HG23 VAL 15 HG23 VAL 15 21.312 0.019 -0.301 130 H ILE 16 HN ILE 16 18.422 -3.888 -1.227 131 HA ILE 16 HA ILE 16 17.712 -4.254 -3.920 132 HB ILE 16 HB ILE 16 17.177 -5.872 -1.406 133 HG12 ILE 16 HG12 ILE 16 19.200 -6.178 -3.648 134 HG13 ILE 16 HG11 ILE 16 19.555 -5.516 -2.057 135 HG21 ILE 16 HG21 ILE 16 16.654 -6.530 -4.309 136 HG22 ILE 16 HG22 ILE 16 15.566 -6.712 -2.934 137 HG23 ILE 16 HG23 ILE 16 16.947 -7.793 -3.114 138 HD11 ILE 16 HD11 ILE 16 20.081 -7.656 -1.507 139 HD12 ILE 16 HD12 ILE 16 19.208 -8.318 -2.891 140 HD13 ILE 16 HD13 ILE 16 18.336 -7.896 -1.419 141 H TRP 17 HN TRP 17 15.433 -4.576 -1.143 142 HA TRP 17 HA TRP 17 13.026 -4.617 -2.546 143 HB2 TRP 17 HB2 TRP 17 12.247 -4.688 -0.470 144 HB3 TRP 17 HB1 TRP 17 13.857 -4.446 0.099 145 HD1 TRP 17 HD1 TRP 17 14.348 -2.143 1.271 146 HE1 TRP 17 HE1 TRP 17 12.939 -0.041 1.765 147 HE3 TRP 17 HE3 TRP 17 10.476 -3.140 -1.669 148 HZ2 TRP 17 HZ2 TRP 17 10.414 1.072 0.934 149 HZ3 TRP 17 HZ3 TRP 17 8.525 -1.583 -1.877 150 HH2 TRP 17 HH2 TRP 17 8.509 0.538 -0.577 151 H VAL 18 HN VAL 18 14.680 -1.747 -1.306 152 HA VAL 18 HA VAL 18 12.826 0.164 -2.039 153 HB VAL 18 HB VAL 18 15.694 0.023 -1.420 154 HG11 VAL 18 HG11 VAL 18 14.762 2.428 -3.014 155 HG12 VAL 18 HG12 VAL 18 15.822 1.169 -3.652 156 HG13 VAL 18 HG13 VAL 18 16.358 2.176 -2.308 157 HG21 VAL 18 HG21 VAL 18 13.362 1.058 -0.328 158 HG22 VAL 18 HG22 VAL 18 14.247 2.498 -0.830 159 HG23 VAL 18 HG23 VAL 18 14.994 1.342 0.276 160 H TYR 19 HN TYR 19 15.227 -1.452 -4.089 161 HA TYR 19 HA TYR 19 14.454 0.160 -6.467 162 HB2 TYR 19 HB2 TYR 19 16.833 -0.393 -5.856 163 HB3 TYR 19 HB1 TYR 19 16.462 -2.096 -6.123 164 HD1 TYR 19 HD1 TYR 19 16.722 1.228 -7.743 165 HD2 TYR 19 HD2 TYR 19 16.247 -3.000 -8.344 166 HE1 TYR 19 HE1 TYR 19 17.128 1.526 -10.173 167 HE2 TYR 19 HE2 TYR 19 16.653 -2.699 -10.772 168 HH TYR 19 HH TYR 19 16.307 -0.559 -12.435 169 H SER 20 HN SER 20 14.431 -3.249 -5.344 170 HA SER 20 HA SER 20 12.028 -3.822 -6.931 171 HB2 SER 20 HB2 SER 20 13.167 -5.493 -8.373 172 HB3 SER 20 HB1 SER 20 13.818 -3.878 -8.631 173 HG SER 20 HG SER 20 14.971 -5.599 -6.706 Start of MODEL 11 1 H1 ASP 1 HT1 ASP 1 29.624 -2.280 4.386 2 H2 ASP 1 HT2 ASP 1 29.709 -0.770 5.162 3 H3 ASP 1 HT3 ASP 1 29.135 -2.131 6.007 4 HA ASP 1 HA ASP 1 31.922 -1.510 5.180 5 HB2 ASP 1 HB2 ASP 1 32.245 -1.812 7.617 6 HB3 ASP 1 HB1 ASP 1 30.888 -0.710 7.357 7 H GLY 2 HN GLY 2 33.158 -3.505 6.649 8 HA2 GLY 2 HA2 GLY 2 32.126 -6.045 5.440 9 HA3 GLY 2 HA1 GLY 2 33.839 -5.638 5.417 10 H ILE 3 HN ILE 3 32.567 -4.564 8.352 11 HA ILE 3 HA ILE 3 33.616 -7.012 9.709 12 HB ILE 3 HB ILE 3 33.854 -5.492 11.665 13 HG12 ILE 3 HG12 ILE 3 33.062 -3.225 9.826 14 HG13 ILE 3 HG11 ILE 3 31.898 -3.993 10.902 15 HG21 ILE 3 HG21 ILE 3 35.696 -5.704 10.039 16 HG22 ILE 3 HG22 ILE 3 35.632 -4.076 10.714 17 HG23 ILE 3 HG23 ILE 3 35.014 -4.383 9.091 18 HD11 ILE 3 HD11 ILE 3 34.537 -2.997 11.955 19 HD12 ILE 3 HD12 ILE 3 33.040 -3.301 12.838 20 HD13 ILE 3 HD13 ILE 3 33.165 -1.903 11.770 21 H SER 4 HN SER 4 30.771 -4.839 9.616 22 HA SER 4 HA SER 4 29.346 -6.604 11.548 23 HB2 SER 4 HB2 SER 4 29.246 -4.070 11.582 24 HB3 SER 4 HB1 SER 4 28.370 -4.152 10.054 25 HG SER 4 HG SER 4 27.452 -4.523 12.553 26 H TRP 5 HN TRP 5 29.545 -8.404 9.925 27 HA TRP 5 HA TRP 5 28.387 -8.465 7.382 28 HB2 TRP 5 HB2 TRP 5 28.773 -10.497 9.556 29 HB3 TRP 5 HB1 TRP 5 28.063 -10.957 8.009 30 HD1 TRP 5 HD1 TRP 5 30.769 -8.272 8.217 31 HE1 TRP 5 HE1 TRP 5 32.896 -9.120 7.044 32 HE3 TRP 5 HE3 TRP 5 29.404 -13.116 7.336 33 HZ2 TRP 5 HZ2 TRP 5 33.888 -11.540 5.882 34 HZ3 TRP 5 HZ3 TRP 5 30.962 -14.669 6.193 35 HH2 TRP 5 HH2 TRP 5 33.200 -13.887 5.466 36 HA PRO 6 HA PRO 6 24.185 -9.656 9.420 37 HB2 PRO 6 HB2 PRO 6 23.818 -8.637 11.931 38 HB3 PRO 6 HB1 PRO 6 24.369 -10.282 11.617 39 HG2 PRO 6 HG2 PRO 6 25.927 -7.838 12.291 40 HG3 PRO 6 HG1 PRO 6 26.111 -9.495 12.893 41 HD2 PRO 6 HD2 PRO 6 27.740 -8.517 11.021 42 HD3 PRO 6 HD1 PRO 6 27.205 -10.192 10.981 43 H PHE 7 HN PHE 7 25.684 -6.532 10.415 44 HA PHE 7 HA PHE 7 23.318 -4.929 9.985 45 HB2 PHE 7 HB2 PHE 7 25.438 -4.281 11.200 46 HB3 PHE 7 HB1 PHE 7 26.251 -4.193 9.640 47 HD1 PHE 7 HD1 PHE 7 22.814 -3.107 10.701 48 HD2 PHE 7 HD2 PHE 7 26.664 -1.938 9.190 49 HE1 PHE 7 HE1 PHE 7 21.995 -0.786 10.409 50 HE2 PHE 7 HE2 PHE 7 25.841 0.384 8.898 51 HZ PHE 7 HZ PHE 7 23.509 0.960 9.507 52 H VAL 8 HN VAL 8 26.101 -5.781 7.878 53 HA VAL 8 HA VAL 8 25.084 -4.464 5.504 54 HB VAL 8 HB VAL 8 27.064 -6.694 6.071 55 HG11 VAL 8 HG11 VAL 8 25.827 -6.048 3.560 56 HG12 VAL 8 HG12 VAL 8 27.102 -7.221 3.885 57 HG13 VAL 8 HG13 VAL 8 27.517 -5.552 3.502 58 HG21 VAL 8 HG21 VAL 8 27.143 -3.740 5.738 59 HG22 VAL 8 HG22 VAL 8 28.465 -4.639 4.995 60 HG23 VAL 8 HG23 VAL 8 28.162 -4.788 6.726 61 H LEU 9 HN LEU 9 24.695 -7.686 6.925 62 HA LEU 9 HA LEU 9 23.483 -9.119 4.806 63 HB2 LEU 9 HB2 LEU 9 24.089 -9.555 7.423 64 HB3 LEU 9 HB1 LEU 9 22.336 -9.424 7.532 65 HG LEU 9 HG LEU 9 23.013 -11.028 5.242 66 HD11 LEU 9 HD11 LEU 9 23.850 -12.637 7.513 67 HD12 LEU 9 HD12 LEU 9 24.942 -11.275 7.255 68 HD13 LEU 9 HD13 LEU 9 24.635 -12.422 5.950 69 HD21 LEU 9 HD21 LEU 9 21.205 -10.969 7.461 70 HD22 LEU 9 HD22 LEU 9 21.942 -12.570 7.395 71 HD23 LEU 9 HD23 LEU 9 21.093 -11.933 5.989 72 H LEU 10 HN LEU 10 22.083 -6.764 7.071 73 HA LEU 10 HA LEU 10 19.368 -7.077 5.917 74 HB2 LEU 10 HB2 LEU 10 20.501 -6.370 8.390 75 HB3 LEU 10 HB1 LEU 10 19.791 -4.876 7.778 76 HG LEU 10 HG LEU 10 17.960 -7.005 7.243 77 HD11 LEU 10 HD11 LEU 10 17.498 -7.548 9.701 78 HD12 LEU 10 HD12 LEU 10 19.119 -6.934 10.032 79 HD13 LEU 10 HD13 LEU 10 18.902 -8.333 8.978 80 HD21 LEU 10 HD21 LEU 10 16.939 -5.486 9.335 81 HD22 LEU 10 HD22 LEU 10 16.773 -5.115 7.619 82 HD23 LEU 10 HD23 LEU 10 18.080 -4.390 8.555 83 H ILE 11 HN ILE 11 22.109 -4.833 5.759 84 HA ILE 11 HA ILE 11 20.679 -2.602 4.595 85 HB ILE 11 HB ILE 11 23.570 -3.543 4.578 86 HG12 ILE 11 HG12 ILE 11 22.236 -1.191 5.972 87 HG13 ILE 11 HG11 ILE 11 22.641 -2.714 6.757 88 HG21 ILE 11 HG21 ILE 11 24.203 -1.872 3.181 89 HG22 ILE 11 HG22 ILE 11 23.072 -0.724 3.895 90 HG23 ILE 11 HG23 ILE 11 22.518 -1.858 2.664 91 HD11 ILE 11 HD11 ILE 11 25.037 -2.180 5.698 92 HD12 ILE 11 HD12 ILE 11 24.548 -1.535 7.263 93 HD13 ILE 11 HD13 ILE 11 24.436 -0.527 5.821 94 H MET 12 HN MET 12 22.362 -5.429 3.181 95 HA MET 12 HA MET 12 22.206 -4.669 0.452 96 HB2 MET 12 HB2 MET 12 23.449 -6.616 1.492 97 HB3 MET 12 HB1 MET 12 21.912 -7.472 1.569 98 HG2 MET 12 HG2 MET 12 22.507 -8.215 -0.504 99 HG3 MET 12 HG1 MET 12 21.900 -6.645 -1.031 100 HE1 MET 12 HE1 MET 12 24.665 -8.620 -2.368 101 HE2 MET 12 HE2 MET 12 24.889 -7.122 -3.271 102 HE3 MET 12 HE3 MET 12 23.261 -7.690 -2.911 103 HA PRO 13 HA PRO 13 17.965 -6.878 0.091 104 HB2 PRO 13 HB2 PRO 13 16.570 -7.338 2.399 105 HB3 PRO 13 HB1 PRO 13 17.698 -8.510 1.696 106 HG2 PRO 13 HG2 PRO 13 18.170 -6.574 3.891 107 HG3 PRO 13 HG1 PRO 13 18.594 -8.293 3.790 108 HD2 PRO 13 HD2 PRO 13 20.378 -6.390 3.320 109 HD3 PRO 13 HD1 PRO 13 20.412 -7.900 2.413 110 H LEU 14 HN LEU 14 18.714 -4.353 2.372 111 HA LEU 14 HA LEU 14 16.116 -3.051 2.409 112 HB2 LEU 14 HB2 LEU 14 18.110 -2.746 3.996 113 HB3 LEU 14 HB1 LEU 14 18.849 -1.772 2.723 114 HG LEU 14 HG LEU 14 16.410 -0.617 2.789 115 HD11 LEU 14 HD11 LEU 14 15.743 -2.177 4.664 116 HD12 LEU 14 HD12 LEU 14 15.571 -0.463 5.039 117 HD13 LEU 14 HD13 LEU 14 16.945 -1.371 5.673 118 HD21 LEU 14 HD21 LEU 14 17.470 1.198 3.806 119 HD22 LEU 14 HD22 LEU 14 18.847 0.268 3.217 120 HD23 LEU 14 HD23 LEU 14 18.381 0.174 4.915 121 H VAL 15 HN VAL 15 19.064 -2.697 0.464 122 HA VAL 15 HA VAL 15 18.050 -0.587 -1.269 123 HB VAL 15 HB VAL 15 20.115 -2.682 -1.984 124 HG11 VAL 15 HG11 VAL 15 19.924 0.300 -2.522 125 HG12 VAL 15 HG12 VAL 15 19.499 -0.974 -3.665 126 HG13 VAL 15 HG13 VAL 15 21.172 -0.784 -3.138 127 HG21 VAL 15 HG21 VAL 15 21.115 -2.154 0.021 128 HG22 VAL 15 HG22 VAL 15 20.203 -0.655 0.198 129 HG23 VAL 15 HG23 VAL 15 21.619 -0.707 -0.852 130 H ILE 16 HN ILE 16 18.253 -4.128 -1.411 131 HA ILE 16 HA ILE 16 17.400 -4.638 -4.021 132 HB ILE 16 HB ILE 16 16.885 -6.052 -1.385 133 HG12 ILE 16 HG12 ILE 16 18.817 -6.514 -3.677 134 HG13 ILE 16 HG11 ILE 16 19.233 -5.935 -2.071 135 HG21 ILE 16 HG21 ILE 16 15.677 -7.679 -2.400 136 HG22 ILE 16 HG22 ILE 16 16.732 -7.694 -3.812 137 HG23 ILE 16 HG23 ILE 16 15.425 -6.516 -3.700 138 HD11 ILE 16 HD11 ILE 16 17.909 -8.610 -2.569 139 HD12 ILE 16 HD12 ILE 16 18.643 -8.038 -1.072 140 HD13 ILE 16 HD13 ILE 16 19.657 -8.405 -2.465 141 H TRP 17 HN TRP 17 15.255 -4.397 -1.135 142 HA TRP 17 HA TRP 17 12.809 -4.467 -2.596 143 HB2 TRP 17 HB2 TRP 17 12.009 -4.571 -0.531 144 HB3 TRP 17 HB1 TRP 17 13.627 -4.462 0.053 145 HD1 TRP 17 HD1 TRP 17 14.248 -2.259 1.346 146 HE1 TRP 17 HE1 TRP 17 12.985 -0.079 1.905 147 HE3 TRP 17 HE3 TRP 17 10.362 -2.855 -1.683 148 HZ2 TRP 17 HZ2 TRP 17 10.557 1.246 1.085 149 HZ3 TRP 17 HZ3 TRP 17 8.531 -1.158 -1.854 150 HH2 TRP 17 HH2 TRP 17 8.643 0.907 -0.472 151 H VAL 18 HN VAL 18 14.631 -1.754 -1.247 152 HA VAL 18 HA VAL 18 12.914 0.314 -1.820 153 HB VAL 18 HB VAL 18 15.893 -0.010 -1.669 154 HG11 VAL 18 HG11 VAL 18 15.931 2.602 -1.764 155 HG12 VAL 18 HG12 VAL 18 14.447 2.423 -2.700 156 HG13 VAL 18 HG13 VAL 18 15.947 1.699 -3.279 157 HG21 VAL 18 HG21 VAL 18 15.459 1.699 0.186 158 HG22 VAL 18 HG22 VAL 18 14.734 0.109 0.414 159 HG23 VAL 18 HG23 VAL 18 13.741 1.460 -0.132 160 H TYR 19 HN TYR 19 15.300 -1.138 -4.068 161 HA TYR 19 HA TYR 19 14.493 0.639 -6.277 162 HB2 TYR 19 HB2 TYR 19 16.821 -0.348 -5.794 163 HB3 TYR 19 HB1 TYR 19 16.183 -1.878 -6.396 164 HD1 TYR 19 HD2 TYR 19 17.130 1.569 -7.271 165 HD2 TYR 19 HD1 TYR 19 15.589 -2.156 -8.755 166 HE1 TYR 19 HE2 TYR 19 17.532 2.328 -9.599 167 HE2 TYR 19 HE1 TYR 19 15.994 -1.396 -11.082 168 HH TYR 19 HH TYR 19 17.618 0.322 -12.197 169 H SER 20 HN SER 20 12.145 -0.085 -6.025 170 HA SER 20 HA SER 20 11.641 -2.618 -7.566 171 HB2 SER 20 HB2 SER 20 10.139 -1.299 -5.288 172 HB3 SER 20 HB1 SER 20 9.487 -2.637 -6.229 173 HG SER 20 HG SER 20 11.629 -2.565 -4.401 Start of MODEL 12 1 H1 ASP 1 HT1 ASP 1 36.982 -10.483 5.512 2 H2 ASP 1 HT2 ASP 1 35.287 -10.614 5.645 3 H3 ASP 1 HT3 ASP 1 36.218 -10.191 7.002 4 HA ASP 1 HA ASP 1 36.701 -8.052 6.171 5 HB2 ASP 1 HB2 ASP 1 35.705 -9.303 3.589 6 HB3 ASP 1 HB1 ASP 1 36.086 -7.587 3.742 7 H GLY 2 HN GLY 2 35.077 -6.254 5.623 8 HA2 GLY 2 HA2 GLY 2 32.774 -5.501 5.415 9 HA3 GLY 2 HA1 GLY 2 32.237 -7.087 5.973 10 H ILE 3 HN ILE 3 32.465 -3.942 6.943 11 HA ILE 3 HA ILE 3 33.519 -4.030 9.585 12 HB ILE 3 HB ILE 3 32.871 -2.011 8.224 13 HG12 ILE 3 HG12 ILE 3 31.341 -1.378 10.580 14 HG13 ILE 3 HG11 ILE 3 32.682 -2.434 11.024 15 HG21 ILE 3 HG21 ILE 3 30.062 -2.669 9.161 16 HG22 ILE 3 HG22 ILE 3 30.637 -2.896 7.509 17 HG23 ILE 3 HG23 ILE 3 30.556 -1.276 8.200 18 HD11 ILE 3 HD11 ILE 3 34.294 -0.915 10.315 19 HD12 ILE 3 HD12 ILE 3 33.038 0.185 10.881 20 HD13 ILE 3 HD13 ILE 3 33.208 -0.145 9.157 21 H SER 4 HN SER 4 30.245 -4.849 8.411 22 HA SER 4 HA SER 4 29.780 -6.398 10.894 23 HB2 SER 4 HB2 SER 4 29.028 -4.125 11.438 24 HB3 SER 4 HB1 SER 4 28.038 -4.086 9.980 25 HG SER 4 HG SER 4 27.465 -5.120 12.398 26 H TRP 5 HN TRP 5 29.430 -8.314 9.804 27 HA TRP 5 HA TRP 5 28.229 -8.662 7.280 28 HB2 TRP 5 HB2 TRP 5 28.775 -10.355 9.672 29 HB3 TRP 5 HB1 TRP 5 27.781 -11.033 8.382 30 HD1 TRP 5 HD1 TRP 5 30.818 -8.675 8.050 31 HE1 TRP 5 HE1 TRP 5 32.576 -9.802 6.534 32 HE3 TRP 5 HE3 TRP 5 28.559 -13.202 7.323 33 HZ2 TRP 5 HZ2 TRP 5 32.962 -12.303 5.203 34 HZ3 TRP 5 HZ3 TRP 5 29.649 -14.938 5.928 35 HH2 TRP 5 HH2 TRP 5 31.845 -14.494 4.868 36 HA PRO 6 HA PRO 6 24.064 -9.551 9.538 37 HB2 PRO 6 HB2 PRO 6 23.813 -8.345 11.984 38 HB3 PRO 6 HB1 PRO 6 24.317 -10.022 11.771 39 HG2 PRO 6 HG2 PRO 6 25.953 -7.571 12.201 40 HG3 PRO 6 HG1 PRO 6 26.122 -9.182 12.922 41 HD2 PRO 6 HD2 PRO 6 27.705 -8.395 10.926 42 HD3 PRO 6 HD1 PRO 6 27.120 -10.053 11.024 43 H PHE 7 HN PHE 7 25.708 -6.444 10.174 44 HA PHE 7 HA PHE 7 23.386 -4.766 9.758 45 HB2 PHE 7 HB2 PHE 7 25.620 -4.159 10.821 46 HB3 PHE 7 HB1 PHE 7 26.314 -4.163 9.200 47 HD1 PHE 7 HD1 PHE 7 23.528 -2.659 11.202 48 HD2 PHE 7 HD2 PHE 7 26.202 -2.231 7.867 49 HE1 PHE 7 HE1 PHE 7 22.724 -0.339 10.854 50 HE2 PHE 7 HE2 PHE 7 25.398 0.089 7.520 51 HZ PHE 7 HZ PHE 7 23.658 1.034 9.014 52 H VAL 8 HN VAL 8 26.059 -5.844 7.611 53 HA VAL 8 HA VAL 8 24.990 -4.678 5.186 54 HB VAL 8 HB VAL 8 26.897 -6.961 5.813 55 HG11 VAL 8 HG11 VAL 8 27.594 -6.826 3.447 56 HG12 VAL 8 HG12 VAL 8 26.318 -5.650 3.138 57 HG13 VAL 8 HG13 VAL 8 25.902 -7.305 3.580 58 HG21 VAL 8 HG21 VAL 8 28.620 -5.344 5.240 59 HG22 VAL 8 HG22 VAL 8 27.554 -4.612 6.439 60 HG23 VAL 8 HG23 VAL 8 27.407 -4.167 4.738 61 H LEU 9 HN LEU 9 24.587 -7.787 6.835 62 HA LEU 9 HA LEU 9 23.249 -9.335 4.887 63 HB2 LEU 9 HB2 LEU 9 24.021 -9.728 7.390 64 HB3 LEU 9 HB1 LEU 9 22.352 -9.296 7.754 65 HG LEU 9 HG LEU 9 22.266 -11.103 5.566 66 HD11 LEU 9 HD11 LEU 9 24.361 -12.066 5.936 67 HD12 LEU 9 HD12 LEU 9 23.327 -13.073 6.948 68 HD13 LEU 9 HD13 LEU 9 24.291 -11.789 7.676 69 HD21 LEU 9 HD21 LEU 9 20.529 -11.727 6.855 70 HD22 LEU 9 HD22 LEU 9 21.145 -10.728 8.173 71 HD23 LEU 9 HD23 LEU 9 21.650 -12.411 8.033 72 H LEU 10 HN LEU 10 21.940 -6.858 7.099 73 HA LEU 10 HA LEU 10 19.207 -7.161 5.962 74 HB2 LEU 10 HB2 LEU 10 20.524 -6.002 8.357 75 HB3 LEU 10 HB1 LEU 10 19.105 -5.129 7.781 76 HG LEU 10 HG LEU 10 18.719 -8.033 7.794 77 HD11 LEU 10 HD11 LEU 10 18.965 -8.505 10.037 78 HD12 LEU 10 HD12 LEU 10 18.710 -6.830 10.526 79 HD13 LEU 10 HD13 LEU 10 20.267 -7.328 9.862 80 HD21 LEU 10 HD21 LEU 10 17.006 -6.158 7.532 81 HD22 LEU 10 HD22 LEU 10 17.218 -5.845 9.253 82 HD23 LEU 10 HD23 LEU 10 16.597 -7.403 8.711 83 H ILE 11 HN ILE 11 21.916 -4.848 5.989 84 HA ILE 11 HA ILE 11 20.522 -2.626 4.815 85 HB ILE 11 HB ILE 11 23.387 -3.560 4.994 86 HG12 ILE 11 HG12 ILE 11 22.166 -2.602 6.975 87 HG13 ILE 11 HG11 ILE 11 23.583 -1.667 6.504 88 HG21 ILE 11 HG21 ILE 11 23.368 -2.395 2.889 89 HG22 ILE 11 HG22 ILE 11 23.986 -1.257 4.086 90 HG23 ILE 11 HG23 ILE 11 22.317 -1.131 3.530 91 HD11 ILE 11 HD11 ILE 11 21.766 -0.115 6.913 92 HD12 ILE 11 HD12 ILE 11 20.688 -1.030 5.859 93 HD13 ILE 11 HD13 ILE 11 22.062 -0.160 5.175 94 H MET 12 HN MET 12 22.332 -5.343 3.327 95 HA MET 12 HA MET 12 22.210 -4.472 0.630 96 HB2 MET 12 HB2 MET 12 23.512 -6.403 1.625 97 HB3 MET 12 HB1 MET 12 22.014 -7.329 1.629 98 HG2 MET 12 HG2 MET 12 21.953 -7.497 -0.680 99 HG3 MET 12 HG1 MET 12 22.840 -5.988 -0.916 100 HE1 MET 12 HE1 MET 12 22.788 -8.722 -2.097 101 HE2 MET 12 HE2 MET 12 23.552 -9.998 -1.153 102 HE3 MET 12 HE3 MET 12 24.454 -9.205 -2.442 103 HA PRO 13 HA PRO 13 18.072 -6.841 0.095 104 HB2 PRO 13 HB2 PRO 13 16.652 -7.440 2.355 105 HB3 PRO 13 HB1 PRO 13 17.835 -8.542 1.628 106 HG2 PRO 13 HG2 PRO 13 18.196 -6.677 3.903 107 HG3 PRO 13 HG1 PRO 13 18.681 -8.376 3.747 108 HD2 PRO 13 HD2 PRO 13 20.408 -6.399 3.387 109 HD3 PRO 13 HD1 PRO 13 20.508 -7.868 2.417 110 H LEU 14 HN LEU 14 18.689 -4.388 2.490 111 HA LEU 14 HA LEU 14 16.059 -3.160 2.545 112 HB2 LEU 14 HB2 LEU 14 18.141 -2.891 4.095 113 HB3 LEU 14 HB1 LEU 14 18.701 -1.732 2.889 114 HG LEU 14 HG LEU 14 15.913 -1.257 3.548 115 HD11 LEU 14 HD11 LEU 14 16.639 -2.280 5.716 116 HD12 LEU 14 HD12 LEU 14 16.190 -0.582 5.868 117 HD13 LEU 14 HD13 LEU 14 17.891 -1.045 5.836 118 HD21 LEU 14 HD21 LEU 14 17.027 0.991 4.226 119 HD22 LEU 14 HD22 LEU 14 17.138 0.492 2.537 120 HD23 LEU 14 HD23 LEU 14 18.516 0.269 3.615 121 H VAL 15 HN VAL 15 18.988 -2.715 0.606 122 HA VAL 15 HA VAL 15 17.939 -0.556 -1.062 123 HB VAL 15 HB VAL 15 20.096 -2.582 -1.727 124 HG11 VAL 15 HG11 VAL 15 20.388 0.306 -2.336 125 HG12 VAL 15 HG12 VAL 15 19.100 -0.527 -3.206 126 HG13 VAL 15 HG13 VAL 15 20.764 -1.101 -3.330 127 HG21 VAL 15 HG21 VAL 15 21.703 -1.076 -0.581 128 HG22 VAL 15 HG22 VAL 15 20.515 -1.701 0.562 129 HG23 VAL 15 HG23 VAL 15 20.370 -0.053 -0.048 130 H ILE 16 HN ILE 16 18.305 -4.078 -1.323 131 HA ILE 16 HA ILE 16 17.514 -4.550 -3.944 132 HB ILE 16 HB ILE 16 16.979 -6.041 -1.357 133 HG12 ILE 16 HG12 ILE 16 18.920 -6.534 -3.640 134 HG13 ILE 16 HG11 ILE 16 19.348 -5.786 -2.105 135 HG21 ILE 16 HG21 ILE 16 15.809 -7.657 -2.428 136 HG22 ILE 16 HG22 ILE 16 16.911 -7.647 -3.805 137 HG23 ILE 16 HG23 ILE 16 15.587 -6.486 -3.729 138 HD11 ILE 16 HD11 ILE 16 17.977 -8.177 -1.461 139 HD12 ILE 16 HD12 ILE 16 19.696 -7.840 -1.254 140 HD13 ILE 16 HD13 ILE 16 19.116 -8.589 -2.743 141 H TRP 17 HN TRP 17 15.285 -4.455 -1.112 142 HA TRP 17 HA TRP 17 12.884 -4.550 -2.641 143 HB2 TRP 17 HB2 TRP 17 12.044 -4.732 -0.598 144 HB3 TRP 17 HB1 TRP 17 13.633 -4.537 0.040 145 HD1 TRP 17 HD1 TRP 17 14.094 -2.306 1.351 146 HE1 TRP 17 HE1 TRP 17 12.686 -0.220 1.902 147 HE3 TRP 17 HE3 TRP 17 10.338 -3.102 -1.789 148 HZ2 TRP 17 HZ2 TRP 17 10.207 0.969 1.027 149 HZ3 TRP 17 HZ3 TRP 17 8.412 -1.515 -1.995 150 HH2 TRP 17 HH2 TRP 17 8.362 0.535 -0.589 151 H VAL 18 HN VAL 18 14.546 -1.802 -1.146 152 HA VAL 18 HA VAL 18 12.758 0.175 -1.942 153 HB VAL 18 HB VAL 18 15.505 -0.014 -0.945 154 HG11 VAL 18 HG11 VAL 18 14.818 2.265 -2.818 155 HG12 VAL 18 HG12 VAL 18 16.209 1.182 -2.907 156 HG13 VAL 18 HG13 VAL 18 16.092 2.364 -1.603 157 HG21 VAL 18 HG21 VAL 18 14.690 2.217 0.108 158 HG22 VAL 18 HG22 VAL 18 13.848 0.734 0.552 159 HG23 VAL 18 HG23 VAL 18 13.139 1.828 -0.636 160 H TYR 19 HN TYR 19 15.637 -1.054 -3.691 161 HA TYR 19 HA TYR 19 14.870 0.535 -6.104 162 HB2 TYR 19 HB2 TYR 19 17.241 0.261 -4.963 163 HB3 TYR 19 HB1 TYR 19 17.280 -1.255 -5.865 164 HD1 TYR 19 HD1 TYR 19 17.305 -1.265 -8.317 165 HD2 TYR 19 HD2 TYR 19 17.219 2.414 -6.102 166 HE1 TYR 19 HE1 TYR 19 17.913 -0.013 -10.371 167 HE2 TYR 19 HE2 TYR 19 17.827 3.665 -8.160 168 HH TYR 19 HH TYR 19 17.482 2.580 -11.129 169 H SER 20 HN SER 20 12.921 -1.219 -5.941 170 HA SER 20 HA SER 20 13.671 -3.497 -7.752 171 HB2 SER 20 HB2 SER 20 12.181 -3.357 -5.178 172 HB3 SER 20 HB1 SER 20 11.539 -4.454 -6.396 173 HG SER 20 HG SER 20 14.097 -4.426 -5.155 Start of MODEL 13 1 H1 ASP 1 HT1 ASP 1 30.656 -8.731 1.475 2 H2 ASP 1 HT2 ASP 1 31.925 -9.594 2.203 3 H3 ASP 1 HT3 ASP 1 32.170 -7.996 1.683 4 HA ASP 1 HA ASP 1 30.382 -7.320 3.335 5 HB2 ASP 1 HB2 ASP 1 29.878 -9.953 3.317 6 HB3 ASP 1 HB1 ASP 1 31.022 -9.931 4.658 7 H GLY 2 HN GLY 2 31.187 -7.565 5.933 8 HA2 GLY 2 HA2 GLY 2 33.691 -7.972 6.861 9 HA3 GLY 2 HA1 GLY 2 33.985 -6.573 5.827 10 H ILE 3 HN ILE 3 32.034 -4.849 6.227 11 HA ILE 3 HA ILE 3 32.387 -3.959 8.983 12 HB ILE 3 HB ILE 3 30.686 -2.928 6.718 13 HG12 ILE 3 HG12 ILE 3 33.116 -3.068 6.181 14 HG13 ILE 3 HG11 ILE 3 32.546 -1.403 6.259 15 HG21 ILE 3 HG21 ILE 3 30.576 -2.180 9.366 16 HG22 ILE 3 HG22 ILE 3 30.113 -1.154 8.008 17 HG23 ILE 3 HG23 ILE 3 31.732 -1.028 8.697 18 HD11 ILE 3 HD11 ILE 3 33.642 -2.663 8.750 19 HD12 ILE 3 HD12 ILE 3 33.652 -0.970 8.255 20 HD13 ILE 3 HD13 ILE 3 34.768 -2.115 7.509 21 H SER 4 HN SER 4 31.343 -5.779 10.098 22 HA SER 4 HA SER 4 29.531 -6.721 11.279 23 HB2 SER 4 HB2 SER 4 29.057 -4.264 11.578 24 HB3 SER 4 HB1 SER 4 28.016 -4.343 10.162 25 HG SER 4 HG SER 4 27.383 -4.925 12.646 26 H TRP 5 HN TRP 5 29.424 -8.552 9.884 27 HA TRP 5 HA TRP 5 28.264 -8.808 7.372 28 HB2 TRP 5 HB2 TRP 5 28.638 -10.560 9.747 29 HB3 TRP 5 HB1 TRP 5 27.638 -11.174 8.431 30 HD1 TRP 5 HD1 TRP 5 30.964 -9.172 8.469 31 HE1 TRP 5 HE1 TRP 5 32.630 -10.365 6.903 32 HE3 TRP 5 HE3 TRP 5 28.105 -13.138 6.991 33 HZ2 TRP 5 HZ2 TRP 5 32.736 -12.689 5.247 34 HZ3 TRP 5 HZ3 TRP 5 29.014 -14.825 5.420 35 HH2 TRP 5 HH2 TRP 5 31.324 -14.605 4.546 36 HA PRO 6 HA PRO 6 23.955 -9.591 9.379 37 HB2 PRO 6 HB2 PRO 6 23.628 -8.484 11.863 38 HB3 PRO 6 HB1 PRO 6 24.067 -10.172 11.593 39 HG2 PRO 6 HG2 PRO 6 25.787 -7.824 12.223 40 HG3 PRO 6 HG1 PRO 6 25.847 -9.472 12.873 41 HD2 PRO 6 HD2 PRO 6 27.565 -8.674 10.997 42 HD3 PRO 6 HD1 PRO 6 26.896 -10.304 10.984 43 H PHE 7 HN PHE 7 25.705 -6.579 10.194 44 HA PHE 7 HA PHE 7 23.475 -4.783 9.783 45 HB2 PHE 7 HB2 PHE 7 25.711 -4.301 10.886 46 HB3 PHE 7 HB1 PHE 7 26.440 -4.324 9.280 47 HD1 PHE 7 HD2 PHE 7 23.844 -2.627 11.356 48 HD2 PHE 7 HD1 PHE 7 26.324 -2.430 7.856 49 HE1 PHE 7 HE2 PHE 7 23.181 -0.260 11.019 50 HE2 PHE 7 HE1 PHE 7 25.661 -0.062 7.522 51 HZ PHE 7 HZ PHE 7 24.088 1.020 9.102 52 H VAL 8 HN VAL 8 26.116 -5.938 7.638 53 HA VAL 8 HA VAL 8 25.106 -4.660 5.234 54 HB VAL 8 HB VAL 8 26.923 -7.049 5.754 55 HG11 VAL 8 HG11 VAL 8 27.031 -7.390 3.533 56 HG12 VAL 8 HG12 VAL 8 27.433 -5.693 3.265 57 HG13 VAL 8 HG13 VAL 8 25.746 -6.203 3.310 58 HG21 VAL 8 HG21 VAL 8 27.252 -4.129 5.813 59 HG22 VAL 8 HG22 VAL 8 28.419 -4.932 4.763 60 HG23 VAL 8 HG23 VAL 8 28.301 -5.390 6.462 61 H LEU 9 HN LEU 9 24.704 -7.862 6.722 62 HA LEU 9 HA LEU 9 23.283 -9.274 4.736 63 HB2 LEU 9 HB2 LEU 9 23.896 -9.473 7.493 64 HB3 LEU 9 HB1 LEU 9 22.155 -9.694 7.369 65 HG LEU 9 HG LEU 9 23.325 -11.851 7.163 66 HD11 LEU 9 HD11 LEU 9 21.271 -11.746 5.955 67 HD12 LEU 9 HD12 LEU 9 22.437 -12.468 4.847 68 HD13 LEU 9 HD13 LEU 9 21.989 -10.772 4.673 69 HD21 LEU 9 HD21 LEU 9 25.140 -10.301 5.611 70 HD22 LEU 9 HD22 LEU 9 24.458 -11.527 4.541 71 HD23 LEU 9 HD23 LEU 9 25.264 -12.009 6.032 72 H LEU 10 HN LEU 10 22.082 -6.837 7.047 73 HA LEU 10 HA LEU 10 19.316 -7.098 5.976 74 HB2 LEU 10 HB2 LEU 10 20.288 -6.775 8.473 75 HB3 LEU 10 HB1 LEU 10 20.072 -5.079 8.036 76 HG LEU 10 HG LEU 10 17.738 -6.233 7.116 77 HD11 LEU 10 HD11 LEU 10 16.965 -7.853 8.586 78 HD12 LEU 10 HD12 LEU 10 18.048 -7.346 9.882 79 HD13 LEU 10 HD13 LEU 10 18.676 -8.272 8.519 80 HD21 LEU 10 HD21 LEU 10 17.409 -4.251 8.230 81 HD22 LEU 10 HD22 LEU 10 18.576 -4.642 9.493 82 HD23 LEU 10 HD23 LEU 10 16.957 -5.342 9.538 83 H ILE 11 HN ILE 11 22.037 -4.789 5.997 84 HA ILE 11 HA ILE 11 20.571 -2.543 4.919 85 HB ILE 11 HB ILE 11 23.466 -3.402 5.026 86 HG12 ILE 11 HG12 ILE 11 22.280 -2.581 7.081 87 HG13 ILE 11 HG11 ILE 11 23.638 -1.562 6.610 88 HG21 ILE 11 HG21 ILE 11 23.695 -2.113 3.126 89 HG22 ILE 11 HG22 ILE 11 23.707 -0.819 4.324 90 HG23 ILE 11 HG23 ILE 11 22.224 -1.193 3.445 91 HD11 ILE 11 HD11 ILE 11 22.056 -0.033 5.447 92 HD12 ILE 11 HD12 ILE 11 21.714 -0.158 7.172 93 HD13 ILE 11 HD13 ILE 11 20.713 -1.027 6.011 94 H MET 12 HN MET 12 22.476 -5.152 3.374 95 HA MET 12 HA MET 12 22.360 -4.265 0.696 96 HB2 MET 12 HB2 MET 12 23.668 -6.191 1.642 97 HB3 MET 12 HB1 MET 12 22.174 -7.117 1.717 98 HG2 MET 12 HG2 MET 12 21.901 -6.949 -0.701 99 HG3 MET 12 HG1 MET 12 23.327 -5.917 -0.813 100 HE1 MET 12 HE1 MET 12 24.148 -7.062 -2.471 101 HE2 MET 12 HE2 MET 12 24.886 -8.660 -2.512 102 HE3 MET 12 HE3 MET 12 25.718 -7.339 -1.700 103 HA PRO 13 HA PRO 13 18.233 -6.625 0.077 104 HB2 PRO 13 HB2 PRO 13 16.790 -7.264 2.312 105 HB3 PRO 13 HB1 PRO 13 17.992 -8.348 1.588 106 HG2 PRO 13 HG2 PRO 13 18.303 -6.509 3.891 107 HG3 PRO 13 HG1 PRO 13 18.810 -8.198 3.720 108 HD2 PRO 13 HD2 PRO 13 20.517 -6.193 3.408 109 HD3 PRO 13 HD1 PRO 13 20.654 -7.654 2.431 110 H LEU 14 HN LEU 14 18.800 -4.174 2.493 111 HA LEU 14 HA LEU 14 16.138 -2.999 2.517 112 HB2 LEU 14 HB2 LEU 14 18.107 -2.682 4.158 113 HB3 LEU 14 HB1 LEU 14 18.775 -1.574 2.959 114 HG LEU 14 HG LEU 14 16.189 -0.681 3.120 115 HD11 LEU 14 HD11 LEU 14 15.225 -1.525 4.975 116 HD12 LEU 14 HD12 LEU 14 16.373 -0.562 5.904 117 HD13 LEU 14 HD13 LEU 14 16.741 -2.242 5.519 118 HD21 LEU 14 HD21 LEU 14 18.820 0.120 4.138 119 HD22 LEU 14 HD22 LEU 14 17.488 0.790 5.080 120 HD23 LEU 14 HD23 LEU 14 17.580 1.091 3.344 121 H VAL 15 HN VAL 15 19.093 -2.493 0.634 122 HA VAL 15 HA VAL 15 18.034 -0.325 -1.016 123 HB VAL 15 HB VAL 15 20.221 -2.297 -1.727 124 HG11 VAL 15 HG11 VAL 15 20.571 -0.839 -3.397 125 HG12 VAL 15 HG12 VAL 15 20.861 0.446 -2.224 126 HG13 VAL 15 HG13 VAL 15 19.228 0.149 -2.823 127 HG21 VAL 15 HG21 VAL 15 20.986 -1.743 0.414 128 HG22 VAL 15 HG22 VAL 15 20.192 -0.168 0.402 129 HG23 VAL 15 HG23 VAL 15 21.673 -0.415 -0.522 130 H ILE 16 HN ILE 16 18.406 -3.840 -1.276 131 HA ILE 16 HA ILE 16 17.645 -4.275 -3.932 132 HB ILE 16 HB ILE 16 17.188 -5.836 -1.372 133 HG12 ILE 16 HG12 ILE 16 19.135 -6.196 -3.671 134 HG13 ILE 16 HG11 ILE 16 19.537 -5.477 -2.117 135 HG21 ILE 16 HG21 ILE 16 16.224 -6.373 -4.113 136 HG22 ILE 16 HG22 ILE 16 15.684 -7.050 -2.576 137 HG23 ILE 16 HG23 ILE 16 17.111 -7.709 -3.376 138 HD11 ILE 16 HD11 ILE 16 18.322 -7.878 -1.422 139 HD12 ILE 16 HD12 ILE 16 20.058 -7.571 -1.444 140 HD13 ILE 16 HD13 ILE 16 19.273 -8.295 -2.847 141 H TRP 17 HN TRP 17 15.399 -4.587 -1.131 142 HA TRP 17 HA TRP 17 12.984 -4.696 -2.526 143 HB2 TRP 17 HB2 TRP 17 12.213 -4.773 -0.449 144 HB3 TRP 17 HB1 TRP 17 13.822 -4.506 0.114 145 HD1 TRP 17 HD1 TRP 17 14.278 -2.198 1.282 146 HE1 TRP 17 HE1 TRP 17 12.839 -0.119 1.782 147 HE3 TRP 17 HE3 TRP 17 10.419 -3.256 -1.646 148 HZ2 TRP 17 HZ2 TRP 17 10.291 0.956 0.953 149 HZ3 TRP 17 HZ3 TRP 17 8.443 -1.734 -1.851 150 HH2 TRP 17 HH2 TRP 17 8.392 0.388 -0.554 151 H VAL 18 HN VAL 18 14.604 -1.783 -1.319 152 HA VAL 18 HA VAL 18 12.707 0.090 -2.039 153 HB VAL 18 HB VAL 18 15.712 0.081 -1.830 154 HG11 VAL 18 HG11 VAL 18 15.505 2.656 -2.028 155 HG12 VAL 18 HG12 VAL 18 14.000 2.332 -2.888 156 HG13 VAL 18 HG13 VAL 18 15.528 1.723 -3.524 157 HG21 VAL 18 HG21 VAL 18 14.984 0.385 0.301 158 HG22 VAL 18 HG22 VAL 18 13.366 0.848 -0.226 159 HG23 VAL 18 HG23 VAL 18 14.662 2.044 -0.200 160 H TYR 19 HN TYR 19 15.143 -1.478 -4.101 161 HA TYR 19 HA TYR 19 14.351 0.085 -6.488 162 HB2 TYR 19 HB2 TYR 19 16.705 -0.517 -6.033 163 HB3 TYR 19 HB1 TYR 19 16.275 -2.228 -6.053 164 HD1 TYR 19 HD1 TYR 19 16.220 0.867 -8.152 165 HD2 TYR 19 HD2 TYR 19 16.218 -3.429 -8.088 166 HE1 TYR 19 HE1 TYR 19 16.483 0.827 -10.619 167 HE2 TYR 19 HE2 TYR 19 16.482 -3.463 -10.556 168 HH TYR 19 HH TYR 19 15.771 -1.430 -12.506 169 H SER 20 HN SER 20 14.133 -3.286 -5.281 170 HA SER 20 HA SER 20 11.640 -3.769 -6.705 171 HB2 SER 20 HB2 SER 20 14.280 -4.597 -7.865 172 HB3 SER 20 HB1 SER 20 12.898 -5.666 -8.079 173 HG SER 20 HG SER 20 12.719 -2.886 -8.619 Start of MODEL 14 1 H1 ASP 1 HT1 ASP 1 29.698 -2.894 4.384 2 H2 ASP 1 HT2 ASP 1 29.982 -1.313 4.934 3 H3 ASP 1 HT3 ASP 1 29.395 -2.494 6.008 4 HA ASP 1 HA ASP 1 32.121 -2.188 4.889 5 HB2 ASP 1 HB2 ASP 1 32.635 -2.356 7.308 6 HB3 ASP 1 HB1 ASP 1 31.343 -1.175 7.079 7 H GLY 2 HN GLY 2 33.412 -4.147 6.265 8 HA2 GLY 2 HA2 GLY 2 32.142 -6.684 5.295 9 HA3 GLY 2 HA1 GLY 2 33.881 -6.400 5.257 10 H ILE 3 HN ILE 3 32.556 -5.099 8.094 11 HA ILE 3 HA ILE 3 33.540 -7.433 9.670 12 HB ILE 3 HB ILE 3 33.215 -4.487 10.105 13 HG12 ILE 3 HG12 ILE 3 35.568 -6.130 10.939 14 HG13 ILE 3 HG11 ILE 3 35.317 -5.838 9.216 15 HG21 ILE 3 HG21 ILE 3 34.247 -5.784 12.459 16 HG22 ILE 3 HG22 ILE 3 32.644 -6.418 12.097 17 HG23 ILE 3 HG23 ILE 3 32.876 -4.686 12.322 18 HD11 ILE 3 HD11 ILE 3 35.318 -3.438 9.567 19 HD12 ILE 3 HD12 ILE 3 36.765 -4.108 10.320 20 HD13 ILE 3 HD13 ILE 3 35.382 -3.651 11.316 21 H SER 4 HN SER 4 30.884 -5.004 9.773 22 HA SER 4 HA SER 4 29.265 -6.727 11.526 23 HB2 SER 4 HB2 SER 4 29.291 -4.190 11.499 24 HB3 SER 4 HB1 SER 4 28.454 -4.267 9.949 25 HG SER 4 HG SER 4 27.473 -4.588 12.453 26 H TRP 5 HN TRP 5 29.425 -8.571 9.941 27 HA TRP 5 HA TRP 5 28.323 -8.626 7.372 28 HB2 TRP 5 HB2 TRP 5 28.575 -10.628 9.593 29 HB3 TRP 5 HB1 TRP 5 27.855 -11.091 8.052 30 HD1 TRP 5 HD1 TRP 5 30.724 -8.574 8.315 31 HE1 TRP 5 HE1 TRP 5 32.804 -9.537 7.152 32 HE3 TRP 5 HE3 TRP 5 29.046 -13.293 7.314 33 HZ2 TRP 5 HZ2 TRP 5 33.647 -11.996 5.954 34 HZ3 TRP 5 HZ3 TRP 5 30.511 -14.924 6.160 35 HH2 TRP 5 HH2 TRP 5 32.808 -14.284 5.479 36 HA PRO 6 HA PRO 6 24.027 -9.601 9.315 37 HB2 PRO 6 HB2 PRO 6 23.640 -8.540 11.808 38 HB3 PRO 6 HB1 PRO 6 24.121 -10.212 11.519 39 HG2 PRO 6 HG2 PRO 6 25.775 -7.838 12.218 40 HG3 PRO 6 HG1 PRO 6 25.865 -9.497 12.835 41 HD2 PRO 6 HD2 PRO 6 27.587 -8.613 11.000 42 HD3 PRO 6 HD1 PRO 6 26.972 -10.261 10.956 43 H PHE 7 HN PHE 7 25.633 -6.527 10.312 44 HA PHE 7 HA PHE 7 23.366 -4.814 9.831 45 HB2 PHE 7 HB2 PHE 7 25.473 -4.185 11.011 46 HB3 PHE 7 HB1 PHE 7 26.348 -4.310 9.487 47 HD1 PHE 7 HD2 PHE 7 23.377 -2.590 11.007 48 HD2 PHE 7 HD1 PHE 7 26.571 -2.417 8.136 49 HE1 PHE 7 HE2 PHE 7 22.761 -0.251 10.460 50 HE2 PHE 7 HE1 PHE 7 25.954 -0.078 7.591 51 HZ PHE 7 HZ PHE 7 24.050 1.005 8.753 52 H VAL 8 HN VAL 8 26.086 -5.847 7.729 53 HA VAL 8 HA VAL 8 25.105 -4.565 5.320 54 HB VAL 8 HB VAL 8 26.962 -6.904 5.891 55 HG11 VAL 8 HG11 VAL 8 26.116 -7.141 3.619 56 HG12 VAL 8 HG12 VAL 8 27.774 -6.545 3.553 57 HG13 VAL 8 HG13 VAL 8 26.428 -5.436 3.291 58 HG21 VAL 8 HG21 VAL 8 28.530 -5.324 6.267 59 HG22 VAL 8 HG22 VAL 8 27.248 -4.114 6.213 60 HG23 VAL 8 HG23 VAL 8 28.145 -4.515 4.748 61 H LEU 9 HN LEU 9 24.678 -7.769 6.790 62 HA LEU 9 HA LEU 9 23.352 -9.189 4.737 63 HB2 LEU 9 HB2 LEU 9 24.102 -9.763 7.203 64 HB3 LEU 9 HB1 LEU 9 22.440 -9.329 7.598 65 HG LEU 9 HG LEU 9 22.286 -10.969 5.304 66 HD11 LEU 9 HD11 LEU 9 24.574 -11.727 5.755 67 HD12 LEU 9 HD12 LEU 9 23.429 -13.022 6.104 68 HD13 LEU 9 HD13 LEU 9 24.140 -12.095 7.424 69 HD21 LEU 9 HD21 LEU 9 20.533 -11.203 6.792 70 HD22 LEU 9 HD22 LEU 9 21.584 -11.136 8.206 71 HD23 LEU 9 HD23 LEU 9 21.484 -12.615 7.251 72 H LEU 10 HN LEU 10 22.053 -6.798 7.044 73 HA LEU 10 HA LEU 10 19.315 -7.066 5.909 74 HB2 LEU 10 HB2 LEU 10 20.577 -6.224 8.379 75 HB3 LEU 10 HB1 LEU 10 19.502 -4.954 7.794 76 HG LEU 10 HG LEU 10 17.971 -7.185 7.363 77 HD11 LEU 10 HD11 LEU 10 19.986 -8.271 8.776 78 HD12 LEU 10 HD12 LEU 10 18.320 -8.822 8.934 79 HD13 LEU 10 HD13 LEU 10 18.991 -7.697 10.114 80 HD21 LEU 10 HD21 LEU 10 17.016 -6.517 9.726 81 HD22 LEU 10 HD22 LEU 10 16.949 -5.356 8.401 82 HD23 LEU 10 HD23 LEU 10 18.206 -5.220 9.628 83 H ILE 11 HN ILE 11 22.024 -4.737 5.983 84 HA ILE 11 HA ILE 11 20.608 -2.521 4.812 85 HB ILE 11 HB ILE 11 23.491 -3.405 4.993 86 HG12 ILE 11 HG12 ILE 11 22.292 -2.524 7.002 87 HG13 ILE 11 HG11 ILE 11 23.639 -1.496 6.516 88 HG21 ILE 11 HG21 ILE 11 23.814 -0.871 4.223 89 HG22 ILE 11 HG22 ILE 11 22.313 -1.192 3.356 90 HG23 ILE 11 HG23 ILE 11 23.741 -2.179 3.042 91 HD11 ILE 11 HD11 ILE 11 20.896 -0.766 6.802 92 HD12 ILE 11 HD12 ILE 11 21.300 -0.650 5.090 93 HD13 ILE 11 HD13 ILE 11 22.240 0.250 6.280 94 H MET 12 HN MET 12 22.405 -5.249 3.342 95 HA MET 12 HA MET 12 22.349 -4.373 0.643 96 HB2 MET 12 HB2 MET 12 23.608 -6.318 1.621 97 HB3 MET 12 HB1 MET 12 22.092 -7.211 1.686 98 HG2 MET 12 HG2 MET 12 22.121 -7.640 -0.541 99 HG3 MET 12 HG1 MET 12 22.613 -5.993 -0.934 100 HE1 MET 12 HE1 MET 12 24.169 -6.585 -2.792 101 HE2 MET 12 HE2 MET 12 23.643 -8.258 -2.638 102 HE3 MET 12 HE3 MET 12 25.361 -7.891 -2.757 103 HA PRO 13 HA PRO 13 18.172 -6.655 0.024 104 HB2 PRO 13 HB2 PRO 13 16.712 -7.264 2.259 105 HB3 PRO 13 HB1 PRO 13 17.891 -8.372 1.537 106 HG2 PRO 13 HG2 PRO 13 18.240 -6.545 3.840 107 HG3 PRO 13 HG1 PRO 13 18.712 -8.245 3.663 108 HD2 PRO 13 HD2 PRO 13 20.459 -6.274 3.356 109 HD3 PRO 13 HD1 PRO 13 20.566 -7.734 2.376 110 H LEU 14 HN LEU 14 18.811 -4.208 2.414 111 HA LEU 14 HA LEU 14 16.189 -2.968 2.468 112 HB2 LEU 14 HB2 LEU 14 18.422 -2.730 3.924 113 HB3 LEU 14 HB1 LEU 14 18.718 -1.400 2.808 114 HG LEU 14 HG LEU 14 17.521 -0.664 4.868 115 HD11 LEU 14 HD11 LEU 14 17.190 0.502 2.688 116 HD12 LEU 14 HD12 LEU 14 15.776 0.602 3.736 117 HD13 LEU 14 HD13 LEU 14 15.791 -0.529 2.383 118 HD21 LEU 14 HD21 LEU 14 15.531 -1.586 5.569 119 HD22 LEU 14 HD22 LEU 14 16.211 -3.006 4.777 120 HD23 LEU 14 HD23 LEU 14 15.028 -2.007 3.933 121 H VAL 15 HN VAL 15 19.138 -2.495 0.553 122 HA VAL 15 HA VAL 15 18.078 -0.349 -1.119 123 HB VAL 15 HB VAL 15 20.230 -2.360 -1.836 124 HG11 VAL 15 HG11 VAL 15 19.431 -0.579 -3.468 125 HG12 VAL 15 HG12 VAL 15 21.159 -0.557 -3.116 126 HG13 VAL 15 HG13 VAL 15 20.090 0.622 -2.357 127 HG21 VAL 15 HG21 VAL 15 21.809 -0.684 -0.694 128 HG22 VAL 15 HG22 VAL 15 20.848 -1.687 0.391 129 HG23 VAL 15 HG23 VAL 15 20.378 -0.014 0.091 130 H ILE 16 HN ILE 16 18.382 -3.872 -1.331 131 HA ILE 16 HA ILE 16 17.570 -4.315 -3.974 132 HB ILE 16 HB ILE 16 17.152 -5.860 -1.397 133 HG12 ILE 16 HG12 ILE 16 19.032 -6.293 -3.738 134 HG13 ILE 16 HG11 ILE 16 19.487 -5.498 -2.236 135 HG21 ILE 16 HG21 ILE 16 17.006 -7.747 -3.371 136 HG22 ILE 16 HG22 ILE 16 16.146 -6.407 -4.128 137 HG23 ILE 16 HG23 ILE 16 15.598 -7.043 -2.578 138 HD11 ILE 16 HD11 ILE 16 18.202 -8.183 -2.034 139 HD12 ILE 16 HD12 ILE 16 19.456 -7.461 -1.027 140 HD13 ILE 16 HD13 ILE 16 19.868 -8.119 -2.609 141 H TRP 17 HN TRP 17 15.375 -4.608 -1.130 142 HA TRP 17 HA TRP 17 12.936 -4.678 -2.485 143 HB2 TRP 17 HB2 TRP 17 12.201 -4.764 -0.395 144 HB3 TRP 17 HB1 TRP 17 13.822 -4.513 0.143 145 HD1 TRP 17 HD1 TRP 17 14.315 -2.222 1.325 146 HE1 TRP 17 HE1 TRP 17 12.908 -0.126 1.849 147 HE3 TRP 17 HE3 TRP 17 10.408 -3.216 -1.564 148 HZ2 TRP 17 HZ2 TRP 17 10.367 0.985 1.055 149 HZ3 TRP 17 HZ3 TRP 17 8.450 -1.667 -1.741 150 HH2 TRP 17 HH2 TRP 17 8.443 0.450 -0.434 151 H VAL 18 HN VAL 18 14.605 -1.796 -1.275 152 HA VAL 18 HA VAL 18 12.729 0.111 -1.946 153 HB VAL 18 HB VAL 18 15.723 0.026 -1.738 154 HG11 VAL 18 HG11 VAL 18 14.360 2.653 -2.293 155 HG12 VAL 18 HG12 VAL 18 14.969 1.676 -3.629 156 HG13 VAL 18 HG13 VAL 18 16.074 2.255 -2.385 157 HG21 VAL 18 HG21 VAL 18 14.998 0.416 0.373 158 HG22 VAL 18 HG22 VAL 18 13.392 0.892 -0.178 159 HG23 VAL 18 HG23 VAL 18 14.706 2.068 -0.172 160 H TYR 19 HN TYR 19 15.097 -1.470 -4.074 161 HA TYR 19 HA TYR 19 14.259 0.124 -6.430 162 HB2 TYR 19 HB2 TYR 19 16.629 -0.504 -5.984 163 HB3 TYR 19 HB1 TYR 19 16.184 -2.207 -6.094 164 HD1 TYR 19 HD1 TYR 19 16.428 0.976 -7.994 165 HD2 TYR 19 HD2 TYR 19 15.824 -3.274 -8.216 166 HE1 TYR 19 HE1 TYR 19 16.686 1.065 -10.463 167 HE2 TYR 19 HE2 TYR 19 16.083 -3.181 -10.683 168 HH TYR 19 HH TYR 19 15.665 -1.041 -12.490 169 H SER 20 HN SER 20 14.070 -3.255 -5.242 170 HA SER 20 HA SER 20 11.546 -3.732 -6.612 171 HB2 SER 20 HB2 SER 20 14.159 -4.542 -7.840 172 HB3 SER 20 HB1 SER 20 12.781 -5.624 -8.021 173 HG SER 20 HG SER 20 12.566 -2.843 -8.548 Start of MODEL 15 1 H1 ASP 1 HT1 ASP 1 32.200 -9.507 4.050 2 H2 ASP 1 HT2 ASP 1 32.851 -8.686 2.713 3 H3 ASP 1 HT3 ASP 1 31.193 -8.570 3.057 4 HA ASP 1 HA ASP 1 32.856 -6.652 3.755 5 HB2 ASP 1 HB2 ASP 1 30.399 -6.699 4.031 6 HB3 ASP 1 HB1 ASP 1 30.556 -7.849 5.360 7 H GLY 2 HN GLY 2 33.721 -5.925 5.913 8 HA2 GLY 2 HA2 GLY 2 34.566 -8.150 7.707 9 HA3 GLY 2 HA1 GLY 2 35.807 -7.088 7.040 10 H ILE 3 HN ILE 3 32.582 -6.021 7.963 11 HA ILE 3 HA ILE 3 33.727 -4.573 10.323 12 HB ILE 3 HB ILE 3 32.018 -3.593 8.051 13 HG12 ILE 3 HG12 ILE 3 34.354 -2.071 9.052 14 HG13 ILE 3 HG11 ILE 3 34.723 -3.617 8.290 15 HG21 ILE 3 HG21 ILE 3 32.158 -2.667 10.839 16 HG22 ILE 3 HG22 ILE 3 30.955 -2.313 9.599 17 HG23 ILE 3 HG23 ILE 3 32.462 -1.398 9.652 18 HD11 ILE 3 HD11 ILE 3 34.576 -1.505 6.776 19 HD12 ILE 3 HD12 ILE 3 32.832 -1.680 6.973 20 HD13 ILE 3 HD13 ILE 3 33.770 -2.979 6.236 21 H SER 4 HN SER 4 30.658 -5.387 8.653 22 HA SER 4 HA SER 4 29.568 -6.537 11.143 23 HB2 SER 4 HB2 SER 4 29.241 -4.046 11.290 24 HB3 SER 4 HB1 SER 4 28.266 -4.134 9.826 25 HG SER 4 HG SER 4 27.619 -4.767 12.395 26 H TRP 5 HN TRP 5 29.474 -8.405 9.768 27 HA TRP 5 HA TRP 5 28.258 -8.637 7.257 28 HB2 TRP 5 HB2 TRP 5 28.811 -10.402 9.583 29 HB3 TRP 5 HB1 TRP 5 27.761 -11.037 8.316 30 HD1 TRP 5 HD1 TRP 5 31.055 -8.947 8.234 31 HE1 TRP 5 HE1 TRP 5 32.641 -10.048 6.519 32 HE3 TRP 5 HE3 TRP 5 28.162 -12.906 6.760 33 HZ2 TRP 5 HZ2 TRP 5 32.676 -12.308 4.771 34 HZ3 TRP 5 HZ3 TRP 5 29.001 -14.513 5.071 35 HH2 TRP 5 HH2 TRP 5 31.253 -14.219 4.074 36 HA PRO 6 HA PRO 6 24.078 -9.559 9.475 37 HB2 PRO 6 HB2 PRO 6 23.819 -8.429 11.954 38 HB3 PRO 6 HB1 PRO 6 24.316 -10.101 11.689 39 HG2 PRO 6 HG2 PRO 6 25.961 -7.677 12.214 40 HG3 PRO 6 HG1 PRO 6 26.120 -9.313 12.875 41 HD2 PRO 6 HD2 PRO 6 27.710 -8.452 10.912 42 HD3 PRO 6 HD1 PRO 6 27.133 -10.116 10.957 43 H PHE 7 HN PHE 7 25.735 -6.461 10.170 44 HA PHE 7 HA PHE 7 23.393 -4.788 9.794 45 HB2 PHE 7 HB2 PHE 7 25.568 -4.137 10.894 46 HB3 PHE 7 HB1 PHE 7 26.338 -4.188 9.308 47 HD1 PHE 7 HD1 PHE 7 23.404 -2.644 11.071 48 HD2 PHE 7 HD2 PHE 7 26.377 -2.252 7.992 49 HE1 PHE 7 HE1 PHE 7 22.635 -0.330 10.624 50 HE2 PHE 7 HE2 PHE 7 25.606 0.064 7.545 51 HZ PHE 7 HZ PHE 7 23.736 1.024 8.861 52 H VAL 8 HN VAL 8 26.060 -5.853 7.649 53 HA VAL 8 HA VAL 8 25.017 -4.625 5.239 54 HB VAL 8 HB VAL 8 26.906 -6.946 5.787 55 HG11 VAL 8 HG11 VAL 8 27.694 -6.492 3.430 56 HG12 VAL 8 HG12 VAL 8 26.269 -5.476 3.215 57 HG13 VAL 8 HG13 VAL 8 26.082 -7.201 3.531 58 HG21 VAL 8 HG21 VAL 8 28.454 -5.352 6.184 59 HG22 VAL 8 HG22 VAL 8 27.174 -4.142 6.102 60 HG23 VAL 8 HG23 VAL 8 28.084 -4.562 4.652 61 H LEU 9 HN LEU 9 24.545 -7.740 6.854 62 HA LEU 9 HA LEU 9 23.236 -9.248 4.830 63 HB2 LEU 9 HB2 LEU 9 23.796 -9.383 7.598 64 HB3 LEU 9 HB1 LEU 9 22.057 -9.609 7.457 65 HG LEU 9 HG LEU 9 23.210 -11.772 7.315 66 HD11 LEU 9 HD11 LEU 9 21.299 -10.811 5.550 67 HD12 LEU 9 HD12 LEU 9 21.751 -12.504 5.748 68 HD13 LEU 9 HD13 LEU 9 22.501 -11.534 4.482 69 HD21 LEU 9 HD21 LEU 9 24.473 -10.923 4.722 70 HD22 LEU 9 HD22 LEU 9 24.935 -12.234 5.806 71 HD23 LEU 9 HD23 LEU 9 25.290 -10.562 6.244 72 H LEU 10 HN LEU 10 21.954 -6.782 7.062 73 HA LEU 10 HA LEU 10 19.209 -7.096 5.960 74 HB2 LEU 10 HB2 LEU 10 20.478 -6.216 8.408 75 HB3 LEU 10 HB1 LEU 10 19.390 -4.961 7.818 76 HG LEU 10 HG LEU 10 17.825 -7.137 7.429 77 HD11 LEU 10 HD11 LEU 10 19.668 -8.554 8.463 78 HD12 LEU 10 HD12 LEU 10 18.082 -8.716 9.216 79 HD13 LEU 10 HD13 LEU 10 19.327 -7.734 9.987 80 HD21 LEU 10 HD21 LEU 10 18.032 -4.981 9.308 81 HD22 LEU 10 HD22 LEU 10 17.501 -6.424 10.171 82 HD23 LEU 10 HD23 LEU 10 16.583 -5.838 8.782 83 H ILE 11 HN ILE 11 21.908 -4.767 5.956 84 HA ILE 11 HA ILE 11 20.489 -2.557 4.781 85 HB ILE 11 HB ILE 11 23.371 -3.461 4.908 86 HG12 ILE 11 HG12 ILE 11 22.271 -2.585 6.957 87 HG13 ILE 11 HG11 ILE 11 23.568 -1.525 6.407 88 HG21 ILE 11 HG21 ILE 11 22.981 -2.185 2.771 89 HG22 ILE 11 HG22 ILE 11 24.070 -1.371 3.893 90 HG23 ILE 11 HG23 ILE 11 22.397 -0.834 3.744 91 HD11 ILE 11 HD11 ILE 11 21.358 -0.554 5.041 92 HD12 ILE 11 HD12 ILE 11 22.038 0.141 6.511 93 HD13 ILE 11 HD13 ILE 11 20.691 -0.992 6.615 94 H MET 12 HN MET 12 22.331 -5.261 3.291 95 HA MET 12 HA MET 12 22.189 -4.424 0.593 96 HB2 MET 12 HB2 MET 12 23.524 -6.316 1.515 97 HB3 MET 12 HB1 MET 12 22.043 -7.242 1.714 98 HG2 MET 12 HG2 MET 12 22.024 -7.835 -0.464 99 HG3 MET 12 HG1 MET 12 22.252 -6.168 -0.983 100 HE1 MET 12 HE1 MET 12 25.055 -7.074 -3.021 101 HE2 MET 12 HE2 MET 12 24.726 -5.511 -2.277 102 HE3 MET 12 HE3 MET 12 23.387 -6.529 -2.799 103 HA PRO 13 HA PRO 13 18.055 -6.798 0.077 104 HB2 PRO 13 HB2 PRO 13 16.644 -7.392 2.347 105 HB3 PRO 13 HB1 PRO 13 17.830 -8.491 1.622 106 HG2 PRO 13 HG2 PRO 13 18.187 -6.619 3.890 107 HG3 PRO 13 HG1 PRO 13 18.688 -8.313 3.733 108 HD2 PRO 13 HD2 PRO 13 20.390 -6.312 3.362 109 HD3 PRO 13 HD1 PRO 13 20.512 -7.786 2.404 110 H LEU 14 HN LEU 14 18.664 -4.314 2.445 111 HA LEU 14 HA LEU 14 16.024 -3.102 2.469 112 HB2 LEU 14 HB2 LEU 14 18.007 -2.778 4.085 113 HB3 LEU 14 HB1 LEU 14 18.691 -1.716 2.856 114 HG LEU 14 HG LEU 14 16.122 -0.771 3.005 115 HD11 LEU 14 HD11 LEU 14 16.974 -1.620 5.790 116 HD12 LEU 14 HD12 LEU 14 15.572 -2.216 4.903 117 HD13 LEU 14 HD13 LEU 14 15.632 -0.534 5.429 118 HD21 LEU 14 HD21 LEU 14 18.238 0.210 4.916 119 HD22 LEU 14 HD22 LEU 14 17.095 1.150 3.955 120 HD23 LEU 14 HD23 LEU 14 18.463 0.360 3.173 121 H VAL 15 HN VAL 15 18.997 -2.576 0.605 122 HA VAL 15 HA VAL 15 17.928 -0.486 -1.123 123 HB VAL 15 HB VAL 15 20.119 -2.460 -1.808 124 HG11 VAL 15 HG11 VAL 15 20.812 0.243 -2.334 125 HG12 VAL 15 HG12 VAL 15 19.144 0.035 -2.867 126 HG13 VAL 15 HG13 VAL 15 20.410 -1.014 -3.504 127 HG21 VAL 15 HG21 VAL 15 21.534 -0.507 -0.611 128 HG22 VAL 15 HG22 VAL 15 20.956 -1.910 0.285 129 HG23 VAL 15 HG23 VAL 15 20.065 -0.390 0.357 130 H ILE 16 HN ILE 16 18.328 -4.012 -1.310 131 HA ILE 16 HA ILE 16 17.554 -4.507 -3.951 132 HB ILE 16 HB ILE 16 17.105 -6.018 -1.359 133 HG12 ILE 16 HG12 ILE 16 19.031 -6.476 -3.657 134 HG13 ILE 16 HG11 ILE 16 19.454 -5.634 -2.172 135 HG21 ILE 16 HG21 ILE 16 15.552 -6.562 -3.463 136 HG22 ILE 16 HG22 ILE 16 16.243 -7.850 -2.480 137 HG23 ILE 16 HG23 ILE 16 17.002 -7.405 -4.008 138 HD11 ILE 16 HD11 ILE 16 19.750 -8.328 -2.548 139 HD12 ILE 16 HD12 ILE 16 18.171 -8.261 -1.765 140 HD13 ILE 16 HD13 ILE 16 19.581 -7.559 -0.970 141 H TRP 17 HN TRP 17 15.359 -4.499 -1.087 142 HA TRP 17 HA TRP 17 12.943 -4.662 -2.587 143 HB2 TRP 17 HB2 TRP 17 12.132 -4.863 -0.536 144 HB3 TRP 17 HB1 TRP 17 13.720 -4.615 0.086 145 HD1 TRP 17 HD1 TRP 17 14.109 -2.375 1.401 146 HE1 TRP 17 HE1 TRP 17 12.637 -0.335 1.965 147 HE3 TRP 17 HE3 TRP 17 10.371 -3.276 -1.730 148 HZ2 TRP 17 HZ2 TRP 17 10.118 0.776 1.102 149 HZ3 TRP 17 HZ3 TRP 17 8.393 -1.753 -1.923 150 HH2 TRP 17 HH2 TRP 17 8.281 0.290 -0.508 151 H VAL 18 HN VAL 18 14.562 -1.866 -1.139 152 HA VAL 18 HA VAL 18 12.726 0.073 -1.893 153 HB VAL 18 HB VAL 18 15.670 -0.014 -1.314 154 HG11 VAL 18 HG11 VAL 18 15.294 1.711 -3.164 155 HG12 VAL 18 HG12 VAL 18 15.992 2.329 -1.669 156 HG13 VAL 18 HG13 VAL 18 14.282 2.583 -2.013 157 HG21 VAL 18 HG21 VAL 18 14.654 0.221 0.703 158 HG22 VAL 18 HG22 VAL 18 13.151 0.792 -0.022 159 HG23 VAL 18 HG23 VAL 18 14.483 1.915 0.246 160 H TYR 19 HN TYR 19 15.620 -1.040 -3.725 161 HA TYR 19 HA TYR 19 14.673 0.441 -6.141 162 HB2 TYR 19 HB2 TYR 19 17.086 0.377 -5.112 163 HB3 TYR 19 HB1 TYR 19 17.196 -1.199 -5.895 164 HD1 TYR 19 HD2 TYR 19 16.854 2.436 -6.431 165 HD2 TYR 19 HD1 TYR 19 17.213 -1.404 -8.328 166 HE1 TYR 19 HE2 TYR 19 17.333 3.548 -8.598 167 HE2 TYR 19 HE1 TYR 19 17.693 -0.288 -10.492 168 HH TYR 19 HH TYR 19 17.008 2.285 -11.416 169 H SER 20 HN SER 20 12.824 -1.364 -5.950 170 HA SER 20 HA SER 20 13.656 -3.693 -7.658 171 HB2 SER 20 HB2 SER 20 12.171 -3.488 -5.092 172 HB3 SER 20 HB1 SER 20 11.527 -4.632 -6.263 173 HG SER 20 HG SER 20 14.113 -4.530 -5.080 Start of MODEL 16 1 H1 ASP 1 HT1 ASP 1 27.959 -4.045 1.382 2 H2 ASP 1 HT2 ASP 1 29.348 -3.956 0.412 3 H3 ASP 1 HT3 ASP 1 28.287 -2.633 0.502 4 HA ASP 1 HA ASP 1 30.252 -2.194 1.848 5 HB2 ASP 1 HB2 ASP 1 28.017 -1.315 2.470 6 HB3 ASP 1 HB1 ASP 1 27.668 -2.809 3.340 7 H GLY 2 HN GLY 2 31.358 -2.776 3.932 8 HA2 GLY 2 HA2 GLY 2 31.088 -5.638 4.717 9 HA3 GLY 2 HA1 GLY 2 32.670 -5.056 4.200 10 H ILE 3 HN ILE 3 30.480 -2.969 6.030 11 HA ILE 3 HA ILE 3 32.510 -2.652 8.133 12 HB ILE 3 HB ILE 3 30.792 -0.971 7.022 13 HG12 ILE 3 HG12 ILE 3 30.798 -0.439 9.911 14 HG13 ILE 3 HG11 ILE 3 32.377 -0.926 9.295 15 HG21 ILE 3 HG21 ILE 3 28.785 -0.635 8.453 16 HG22 ILE 3 HG22 ILE 3 29.191 -2.105 9.339 17 HG23 ILE 3 HG23 ILE 3 28.759 -2.195 7.631 18 HD11 ILE 3 HD11 ILE 3 32.080 0.788 7.453 19 HD12 ILE 3 HD12 ILE 3 32.248 1.466 9.073 20 HD13 ILE 3 HD13 ILE 3 30.657 1.363 8.321 21 H SER 4 HN SER 4 29.461 -4.379 7.750 22 HA SER 4 HA SER 4 30.000 -5.975 10.162 23 HB2 SER 4 HB2 SER 4 28.965 -4.108 11.223 24 HB3 SER 4 HB1 SER 4 27.777 -3.940 9.935 25 HG SER 4 HG SER 4 27.519 -5.287 12.170 26 H TRP 5 HN TRP 5 29.618 -7.981 9.309 27 HA TRP 5 HA TRP 5 28.166 -8.632 7.013 28 HB2 TRP 5 HB2 TRP 5 29.130 -10.062 9.434 29 HB3 TRP 5 HB1 TRP 5 28.008 -10.927 8.384 30 HD1 TRP 5 HD1 TRP 5 30.634 -8.405 7.157 31 HE1 TRP 5 HE1 TRP 5 32.282 -9.626 5.596 32 HE3 TRP 5 HE3 TRP 5 28.993 -13.216 7.712 33 HZ2 TRP 5 HZ2 TRP 5 32.837 -12.278 4.704 34 HZ3 TRP 5 HZ3 TRP 5 30.105 -15.069 6.494 35 HH2 TRP 5 HH2 TRP 5 32.023 -14.605 4.991 36 HA PRO 6 HA PRO 6 24.305 -9.648 9.682 37 HB2 PRO 6 HB2 PRO 6 24.204 -8.402 12.119 38 HB3 PRO 6 HB1 PRO 6 24.798 -10.048 11.894 39 HG2 PRO 6 HG2 PRO 6 26.295 -7.487 12.132 40 HG3 PRO 6 HG1 PRO 6 26.641 -9.069 12.854 41 HD2 PRO 6 HD2 PRO 6 27.967 -8.203 10.697 42 HD3 PRO 6 HD1 PRO 6 27.533 -9.899 10.891 43 H PHE 7 HN PHE 7 25.836 -6.450 10.093 44 HA PHE 7 HA PHE 7 23.399 -4.896 9.845 45 HB2 PHE 7 HB2 PHE 7 25.681 -4.171 10.728 46 HB3 PHE 7 HB1 PHE 7 26.241 -4.159 9.057 47 HD1 PHE 7 HD2 PHE 7 23.279 -2.910 11.016 48 HD2 PHE 7 HD1 PHE 7 26.210 -2.101 7.978 49 HE1 PHE 7 HE2 PHE 7 22.344 -0.634 10.717 50 HE2 PHE 7 HE1 PHE 7 25.272 0.177 7.682 51 HZ PHE 7 HZ PHE 7 23.339 0.909 9.052 52 H VAL 8 HN VAL 8 25.975 -5.845 7.524 53 HA VAL 8 HA VAL 8 24.703 -4.772 5.165 54 HB VAL 8 HB VAL 8 26.693 -7.021 5.654 55 HG11 VAL 8 HG11 VAL 8 25.265 -6.610 3.309 56 HG12 VAL 8 HG12 VAL 8 26.827 -7.419 3.429 57 HG13 VAL 8 HG13 VAL 8 26.753 -5.703 3.035 58 HG21 VAL 8 HG21 VAL 8 27.918 -5.171 6.216 59 HG22 VAL 8 HG22 VAL 8 26.841 -4.070 5.359 60 HG23 VAL 8 HG23 VAL 8 28.057 -4.986 4.469 61 H LEU 9 HN LEU 9 24.459 -7.859 6.893 62 HA LEU 9 HA LEU 9 23.055 -9.485 5.063 63 HB2 LEU 9 HB2 LEU 9 23.756 -9.478 7.770 64 HB3 LEU 9 HB1 LEU 9 21.999 -9.584 7.794 65 HG LEU 9 HG LEU 9 22.966 -11.832 7.726 66 HD11 LEU 9 HD11 LEU 9 20.964 -10.913 6.114 67 HD12 LEU 9 HD12 LEU 9 21.425 -12.611 6.235 68 HD13 LEU 9 HD13 LEU 9 22.051 -11.620 4.918 69 HD21 LEU 9 HD21 LEU 9 24.122 -11.212 5.010 70 HD22 LEU 9 HD22 LEU 9 24.507 -12.547 6.095 71 HD23 LEU 9 HD23 LEU 9 25.063 -10.915 6.472 72 H LEU 10 HN LEU 10 21.818 -6.913 7.207 73 HA LEU 10 HA LEU 10 19.069 -7.232 6.091 74 HB2 LEU 10 HB2 LEU 10 20.061 -6.745 8.606 75 HB3 LEU 10 HB1 LEU 10 19.683 -5.108 8.066 76 HG LEU 10 HG LEU 10 17.518 -6.798 7.280 77 HD11 LEU 10 HD11 LEU 10 16.782 -7.587 9.511 78 HD12 LEU 10 HD12 LEU 10 18.324 -7.071 10.191 79 HD13 LEU 10 HD13 LEU 10 18.277 -8.370 8.999 80 HD21 LEU 10 HD21 LEU 10 17.771 -4.279 8.074 81 HD22 LEU 10 HD22 LEU 10 17.394 -4.968 9.651 82 HD23 LEU 10 HD23 LEU 10 16.255 -5.143 8.319 83 H ILE 11 HN ILE 11 21.800 -4.947 6.156 84 HA ILE 11 HA ILE 11 20.428 -2.714 4.961 85 HB ILE 11 HB ILE 11 23.295 -3.624 5.226 86 HG12 ILE 11 HG12 ILE 11 22.063 -2.712 7.194 87 HG13 ILE 11 HG11 ILE 11 23.423 -1.695 6.726 88 HG21 ILE 11 HG21 ILE 11 23.173 -2.410 3.085 89 HG22 ILE 11 HG22 ILE 11 23.998 -1.434 4.300 90 HG23 ILE 11 HG23 ILE 11 22.322 -1.084 3.878 91 HD11 ILE 11 HD11 ILE 11 21.480 -0.571 5.211 92 HD12 ILE 11 HD12 ILE 11 21.850 -0.034 6.849 93 HD13 ILE 11 HD13 ILE 11 20.508 -1.142 6.567 94 H MET 12 HN MET 12 22.223 -5.471 3.525 95 HA MET 12 HA MET 12 22.204 -4.584 0.821 96 HB2 MET 12 HB2 MET 12 23.443 -6.548 1.847 97 HB3 MET 12 HB1 MET 12 21.926 -7.444 1.798 98 HG2 MET 12 HG2 MET 12 22.623 -8.083 -0.273 99 HG3 MET 12 HG1 MET 12 22.069 -6.486 -0.771 100 HE1 MET 12 HE1 MET 12 23.842 -7.157 -2.828 101 HE2 MET 12 HE2 MET 12 24.380 -8.569 -1.919 102 HE3 MET 12 HE3 MET 12 25.566 -7.422 -2.532 103 HA PRO 13 HA PRO 13 18.033 -6.878 0.172 104 HB2 PRO 13 HB2 PRO 13 16.540 -7.430 2.401 105 HB3 PRO 13 HB1 PRO 13 17.720 -8.561 1.719 106 HG2 PRO 13 HG2 PRO 13 18.061 -6.678 3.982 107 HG3 PRO 13 HG1 PRO 13 18.509 -8.388 3.861 108 HD2 PRO 13 HD2 PRO 13 20.293 -6.465 3.523 109 HD3 PRO 13 HD1 PRO 13 20.378 -7.942 2.564 110 H LEU 14 HN LEU 14 18.630 -4.420 2.568 111 HA LEU 14 HA LEU 14 16.028 -3.135 2.531 112 HB2 LEU 14 HB2 LEU 14 18.050 -2.897 4.155 113 HB3 LEU 14 HB1 LEU 14 18.695 -1.772 2.958 114 HG LEU 14 HG LEU 14 15.884 -1.237 3.529 115 HD11 LEU 14 HD11 LEU 14 17.855 -0.954 5.818 116 HD12 LEU 14 HD12 LEU 14 16.557 -2.147 5.750 117 HD13 LEU 14 HD13 LEU 14 16.173 -0.426 5.812 118 HD21 LEU 14 HD21 LEU 14 17.150 0.436 2.434 119 HD22 LEU 14 HD22 LEU 14 18.496 0.279 3.563 120 HD23 LEU 14 HD23 LEU 14 16.990 1.034 4.084 121 H VAL 15 HN VAL 15 19.057 -2.662 0.738 122 HA VAL 15 HA VAL 15 18.078 -0.530 -0.989 123 HB VAL 15 HB VAL 15 20.233 -2.554 -1.649 124 HG11 VAL 15 HG11 VAL 15 21.309 -0.531 -2.636 125 HG12 VAL 15 HG12 VAL 15 19.902 0.422 -2.160 126 HG13 VAL 15 HG13 VAL 15 19.731 -0.873 -3.348 127 HG21 VAL 15 HG21 VAL 15 21.058 -2.050 0.455 128 HG22 VAL 15 HG22 VAL 15 20.171 -0.528 0.552 129 HG23 VAL 15 HG23 VAL 15 21.655 -0.625 -0.396 130 H ILE 16 HN ILE 16 18.377 -4.062 -1.221 131 HA ILE 16 HA ILE 16 17.680 -4.507 -3.887 132 HB ILE 16 HB ILE 16 17.069 -6.016 -1.328 133 HG12 ILE 16 HG12 ILE 16 19.076 -6.480 -3.556 134 HG13 ILE 16 HG11 ILE 16 19.456 -5.761 -1.999 135 HG21 ILE 16 HG21 ILE 16 15.969 -6.463 -3.959 136 HG22 ILE 16 HG22 ILE 16 15.705 -7.389 -2.481 137 HG23 ILE 16 HG23 ILE 16 17.055 -7.789 -3.543 138 HD11 ILE 16 HD11 ILE 16 19.730 -8.397 -2.483 139 HD12 ILE 16 HD12 ILE 16 18.052 -8.383 -1.944 140 HD13 ILE 16 HD13 ILE 16 19.323 -7.764 -0.889 141 H TRP 17 HN TRP 17 15.369 -4.451 -1.118 142 HA TRP 17 HA TRP 17 13.014 -4.516 -2.713 143 HB2 TRP 17 HB2 TRP 17 12.106 -4.689 -0.698 144 HB3 TRP 17 HB1 TRP 17 13.680 -4.528 -0.014 145 HD1 TRP 17 HD1 TRP 17 14.144 -2.314 1.326 146 HE1 TRP 17 HE1 TRP 17 12.761 -0.201 1.847 147 HE3 TRP 17 HE3 TRP 17 10.461 -3.021 -1.922 148 HZ2 TRP 17 HZ2 TRP 17 10.332 1.038 0.909 149 HZ3 TRP 17 HZ3 TRP 17 8.573 -1.397 -2.173 150 HH2 TRP 17 HH2 TRP 17 8.523 0.648 -0.758 151 H VAL 18 HN VAL 18 14.671 -1.784 -1.178 152 HA VAL 18 HA VAL 18 12.928 0.223 -1.967 153 HB VAL 18 HB VAL 18 15.868 0.055 -1.354 154 HG11 VAL 18 HG11 VAL 18 15.724 2.675 -1.380 155 HG12 VAL 18 HG12 VAL 18 14.436 2.414 -2.558 156 HG13 VAL 18 HG13 VAL 18 16.065 1.819 -2.883 157 HG21 VAL 18 HG21 VAL 18 14.726 0.168 0.635 158 HG22 VAL 18 HG22 VAL 18 13.351 1.008 -0.082 159 HG23 VAL 18 HG23 VAL 18 14.822 1.898 0.311 160 H TYR 19 HN TYR 19 15.820 -0.979 -3.736 161 HA TYR 19 HA TYR 19 14.989 0.574 -6.149 162 HB2 TYR 19 HB2 TYR 19 17.378 0.382 -5.040 163 HB3 TYR 19 HB1 TYR 19 17.453 -1.147 -5.917 164 HD1 TYR 19 HD2 TYR 19 17.264 2.520 -6.221 165 HD2 TYR 19 HD1 TYR 19 17.469 -1.202 -8.362 166 HE1 TYR 19 HE2 TYR 19 17.799 3.750 -8.309 167 HE2 TYR 19 HE1 TYR 19 18.005 0.031 -10.449 168 HH TYR 19 HH TYR 19 17.430 2.668 -11.211 169 H SER 20 HN SER 20 13.091 -1.234 -5.950 170 HA SER 20 HA SER 20 13.885 -3.514 -7.742 171 HB2 SER 20 HB2 SER 20 12.370 -3.352 -5.186 172 HB3 SER 20 HB1 SER 20 11.740 -4.465 -6.396 173 HG SER 20 HG SER 20 14.296 -4.411 -5.151 Start of MODEL 17 1 H1 ASP 1 HT1 ASP 1 32.703 -7.831 2.359 2 H2 ASP 1 HT2 ASP 1 31.115 -7.271 2.134 3 H3 ASP 1 HT3 ASP 1 31.438 -8.491 3.273 4 HA ASP 1 HA ASP 1 32.462 -5.694 3.459 5 HB2 ASP 1 HB2 ASP 1 29.983 -5.913 3.625 6 HB3 ASP 1 HB1 ASP 1 30.189 -7.163 4.855 7 H GLY 2 HN GLY 2 33.460 -5.303 5.576 8 HA2 GLY 2 HA2 GLY 2 34.217 -7.764 7.085 9 HA3 GLY 2 HA1 GLY 2 35.476 -6.652 6.558 10 H ILE 3 HN ILE 3 32.320 -5.529 7.659 11 HA ILE 3 HA ILE 3 33.616 -4.588 10.203 12 HB ILE 3 HB ILE 3 31.535 -2.785 9.562 13 HG12 ILE 3 HG12 ILE 3 33.401 -2.835 7.203 14 HG13 ILE 3 HG11 ILE 3 31.939 -3.817 7.167 15 HG21 ILE 3 HG21 ILE 3 33.195 -1.544 10.418 16 HG22 ILE 3 HG22 ILE 3 33.981 -1.607 8.841 17 HG23 ILE 3 HG23 ILE 3 34.378 -2.809 10.067 18 HD11 ILE 3 HD11 ILE 3 31.620 -1.531 6.191 19 HD12 ILE 3 HD12 ILE 3 31.947 -0.856 7.788 20 HD13 ILE 3 HD13 ILE 3 30.534 -1.887 7.532 21 H SER 4 HN SER 4 30.416 -5.136 8.639 22 HA SER 4 HA SER 4 29.578 -6.598 11.088 23 HB2 SER 4 HB2 SER 4 29.080 -4.161 11.407 24 HB3 SER 4 HB1 SER 4 28.042 -4.232 9.984 25 HG SER 4 HG SER 4 27.546 -5.022 12.528 26 H TRP 5 HN TRP 5 29.432 -8.435 9.745 27 HA TRP 5 HA TRP 5 28.206 -8.666 7.240 28 HB2 TRP 5 HB2 TRP 5 28.797 -10.438 9.548 29 HB3 TRP 5 HB1 TRP 5 27.738 -11.077 8.290 30 HD1 TRP 5 HD1 TRP 5 30.890 -8.812 7.970 31 HE1 TRP 5 HE1 TRP 5 32.494 -9.930 6.290 32 HE3 TRP 5 HE3 TRP 5 28.308 -13.119 7.006 33 HZ2 TRP 5 HZ2 TRP 5 32.667 -12.337 4.753 34 HZ3 TRP 5 HZ3 TRP 5 29.217 -14.807 5.435 35 HH2 TRP 5 HH2 TRP 5 31.391 -14.422 4.307 36 HA PRO 6 HA PRO 6 24.030 -9.663 9.428 37 HB2 PRO 6 HB2 PRO 6 23.755 -8.590 11.932 38 HB3 PRO 6 HB1 PRO 6 24.260 -10.254 11.633 39 HG2 PRO 6 HG2 PRO 6 25.889 -7.834 12.224 40 HG3 PRO 6 HG1 PRO 6 26.056 -9.487 12.842 41 HD2 PRO 6 HD2 PRO 6 27.651 -8.564 10.907 42 HD3 PRO 6 HD1 PRO 6 27.087 -10.232 10.909 43 H PHE 7 HN PHE 7 25.685 -6.594 10.189 44 HA PHE 7 HA PHE 7 23.361 -4.893 9.870 45 HB2 PHE 7 HB2 PHE 7 25.582 -4.310 10.939 46 HB3 PHE 7 HB1 PHE 7 26.297 -4.309 9.328 47 HD1 PHE 7 HD2 PHE 7 23.469 -2.788 11.266 48 HD2 PHE 7 HD1 PHE 7 26.290 -2.344 8.058 49 HE1 PHE 7 HE2 PHE 7 22.723 -0.447 10.934 50 HE2 PHE 7 HE1 PHE 7 25.545 -0.001 7.727 51 HZ PHE 7 HZ PHE 7 23.762 0.948 9.166 52 H VAL 8 HN VAL 8 26.003 -5.897 7.656 53 HA VAL 8 HA VAL 8 24.894 -4.631 5.295 54 HB VAL 8 HB VAL 8 26.867 -6.875 5.826 55 HG11 VAL 8 HG11 VAL 8 25.963 -7.348 3.640 56 HG12 VAL 8 HG12 VAL 8 27.514 -6.546 3.396 57 HG13 VAL 8 HG13 VAL 8 26.015 -5.643 3.190 58 HG21 VAL 8 HG21 VAL 8 27.754 -4.763 6.474 59 HG22 VAL 8 HG22 VAL 8 27.054 -3.952 5.072 60 HG23 VAL 8 HG23 VAL 8 28.413 -5.055 4.865 61 H LEU 9 HN LEU 9 24.558 -7.835 6.796 62 HA LEU 9 HA LEU 9 23.215 -9.297 4.792 63 HB2 LEU 9 HB2 LEU 9 23.852 -9.571 7.476 64 HB3 LEU 9 HB1 LEU 9 22.090 -9.574 7.497 65 HG LEU 9 HG LEU 9 22.908 -11.187 5.295 66 HD11 LEU 9 HD11 LEU 9 24.098 -12.297 7.813 67 HD12 LEU 9 HD12 LEU 9 25.057 -11.187 6.835 68 HD13 LEU 9 HD13 LEU 9 24.466 -12.695 6.138 69 HD21 LEU 9 HD21 LEU 9 21.869 -12.046 8.012 70 HD22 LEU 9 HD22 LEU 9 21.675 -12.901 6.484 71 HD23 LEU 9 HD23 LEU 9 20.852 -11.364 6.742 72 H LEU 10 HN LEU 10 21.949 -6.838 7.029 73 HA LEU 10 HA LEU 10 19.202 -7.089 5.908 74 HB2 LEU 10 HB2 LEU 10 20.489 -6.271 8.382 75 HB3 LEU 10 HB1 LEU 10 19.386 -5.015 7.818 76 HG LEU 10 HG LEU 10 18.156 -7.597 7.462 77 HD11 LEU 10 HD11 LEU 10 19.532 -8.440 9.250 78 HD12 LEU 10 HD12 LEU 10 17.947 -8.096 9.943 79 HD13 LEU 10 HD13 LEU 10 19.284 -6.979 10.204 80 HD21 LEU 10 HD21 LEU 10 17.246 -5.748 9.597 81 HD22 LEU 10 HD22 LEU 10 16.343 -6.442 8.251 82 HD23 LEU 10 HD23 LEU 10 17.383 -5.043 7.987 83 H ILE 11 HN ILE 11 21.935 -4.798 6.055 84 HA ILE 11 HA ILE 11 20.578 -2.551 4.878 85 HB ILE 11 HB ILE 11 23.449 -3.466 5.115 86 HG12 ILE 11 HG12 ILE 11 22.139 -2.607 7.099 87 HG13 ILE 11 HG11 ILE 11 23.581 -1.663 6.728 88 HG21 ILE 11 HG21 ILE 11 22.354 -1.036 3.677 89 HG22 ILE 11 HG22 ILE 11 23.535 -2.208 3.089 90 HG23 ILE 11 HG23 ILE 11 23.985 -1.060 4.350 91 HD11 ILE 11 HD11 ILE 11 21.521 -0.274 7.187 92 HD12 ILE 11 HD12 ILE 11 20.814 -0.952 5.720 93 HD13 ILE 11 HD13 ILE 11 22.271 0.036 5.621 94 H MET 12 HN MET 12 22.404 -5.275 3.429 95 HA MET 12 HA MET 12 22.405 -4.355 0.742 96 HB2 MET 12 HB2 MET 12 23.643 -6.318 1.711 97 HB3 MET 12 HB1 MET 12 22.127 -7.211 1.728 98 HG2 MET 12 HG2 MET 12 22.430 -7.766 -0.431 99 HG3 MET 12 HG1 MET 12 22.441 -6.058 -0.871 100 HE1 MET 12 HE1 MET 12 23.807 -6.853 -2.815 101 HE2 MET 12 HE2 MET 12 24.231 -8.491 -2.323 102 HE3 MET 12 HE3 MET 12 25.501 -7.358 -2.781 103 HA PRO 13 HA PRO 13 18.238 -6.615 0.031 104 HB2 PRO 13 HB2 PRO 13 16.744 -7.262 2.227 105 HB3 PRO 13 HB1 PRO 13 17.930 -8.362 1.501 106 HG2 PRO 13 HG2 PRO 13 18.249 -6.577 3.844 107 HG3 PRO 13 HG1 PRO 13 18.714 -8.277 3.647 108 HD2 PRO 13 HD2 PRO 13 20.480 -6.316 3.404 109 HD3 PRO 13 HD1 PRO 13 20.591 -7.755 2.393 110 H LEU 14 HN LEU 14 18.841 -4.231 2.493 111 HA LEU 14 HA LEU 14 16.222 -2.983 2.540 112 HB2 LEU 14 HB2 LEU 14 18.427 -2.779 4.036 113 HB3 LEU 14 HB1 LEU 14 18.759 -1.438 2.942 114 HG LEU 14 HG LEU 14 17.541 -0.702 4.982 115 HD11 LEU 14 HD11 LEU 14 15.365 -0.237 3.148 116 HD12 LEU 14 HD12 LEU 14 16.902 -0.119 2.294 117 HD13 LEU 14 HD13 LEU 14 16.601 0.887 3.708 118 HD21 LEU 14 HD21 LEU 14 16.279 -2.853 5.282 119 HD22 LEU 14 HD22 LEU 14 15.261 -2.394 3.917 120 HD23 LEU 14 HD23 LEU 14 15.260 -1.418 5.385 121 H VAL 15 HN VAL 15 19.193 -2.501 0.670 122 HA VAL 15 HA VAL 15 18.154 -0.323 -0.984 123 HB VAL 15 HB VAL 15 20.332 -2.308 -1.689 124 HG11 VAL 15 HG11 VAL 15 20.166 0.684 -2.161 125 HG12 VAL 15 HG12 VAL 15 19.564 -0.512 -3.309 126 HG13 VAL 15 HG13 VAL 15 21.280 -0.462 -2.907 127 HG21 VAL 15 HG21 VAL 15 21.691 -1.566 -0.020 128 HG22 VAL 15 HG22 VAL 15 20.256 -0.863 0.723 129 HG23 VAL 15 HG23 VAL 15 21.270 0.115 -0.335 130 H ILE 16 HN ILE 16 18.466 -3.849 -1.227 131 HA ILE 16 HA ILE 16 17.709 -4.241 -3.904 132 HB ILE 16 HB ILE 16 17.257 -5.854 -1.373 133 HG12 ILE 16 HG12 ILE 16 19.213 -6.160 -3.674 134 HG13 ILE 16 HG11 ILE 16 19.609 -5.463 -2.108 135 HG21 ILE 16 HG21 ILE 16 16.825 -7.791 -2.851 136 HG22 ILE 16 HG22 ILE 16 16.876 -6.727 -4.256 137 HG23 ILE 16 HG23 ILE 16 15.592 -6.547 -3.060 138 HD11 ILE 16 HD11 ILE 16 18.479 -7.826 -1.342 139 HD12 ILE 16 HD12 ILE 16 20.210 -7.602 -1.586 140 HD13 ILE 16 HD13 ILE 16 19.222 -8.294 -2.872 141 H TRP 17 HN TRP 17 15.492 -4.572 -1.080 142 HA TRP 17 HA TRP 17 13.060 -4.679 -2.436 143 HB2 TRP 17 HB2 TRP 17 12.319 -4.734 -0.348 144 HB3 TRP 17 HB1 TRP 17 13.934 -4.455 0.188 145 HD1 TRP 17 HD1 TRP 17 14.386 -2.149 1.353 146 HE1 TRP 17 HE1 TRP 17 12.955 -0.059 1.835 147 HE3 TRP 17 HE3 TRP 17 10.520 -3.210 -1.568 148 HZ2 TRP 17 HZ2 TRP 17 10.413 1.021 1.000 149 HZ3 TRP 17 HZ3 TRP 17 8.551 -1.681 -1.784 150 HH2 TRP 17 HH2 TRP 17 8.510 0.451 -0.502 151 H VAL 18 HN VAL 18 14.704 -1.760 -1.292 152 HA VAL 18 HA VAL 18 12.822 0.132 -1.964 153 HB VAL 18 HB VAL 18 15.835 0.071 -1.929 154 HG11 VAL 18 HG11 VAL 18 15.686 1.749 -3.536 155 HG12 VAL 18 HG12 VAL 18 15.529 2.694 -2.055 156 HG13 VAL 18 HG13 VAL 18 14.093 2.273 -2.989 157 HG21 VAL 18 HG21 VAL 18 14.568 0.103 0.186 158 HG22 VAL 18 HG22 VAL 18 13.736 1.569 -0.328 159 HG23 VAL 18 HG23 VAL 18 15.471 1.602 -0.019 160 H TYR 19 HN TYR 19 15.160 -1.455 -4.126 161 HA TYR 19 HA TYR 19 14.173 0.056 -6.489 162 HB2 TYR 19 HB2 TYR 19 16.613 -0.482 -5.928 163 HB3 TYR 19 HB1 TYR 19 16.237 -2.160 -6.319 164 HD1 TYR 19 HD2 TYR 19 16.407 1.290 -7.676 165 HD2 TYR 19 HD1 TYR 19 15.952 -2.877 -8.608 166 HE1 TYR 19 HE2 TYR 19 16.714 1.792 -10.087 167 HE2 TYR 19 HE1 TYR 19 16.260 -2.367 -11.017 168 HH TYR 19 HH TYR 19 17.493 -0.398 -12.330 169 H SER 20 HN SER 20 14.308 -3.304 -5.240 170 HA SER 20 HA SER 20 11.805 -4.038 -6.519 171 HB2 SER 20 HB2 SER 20 14.436 -4.626 -7.844 172 HB3 SER 20 HB1 SER 20 13.143 -5.811 -7.975 173 HG SER 20 HG SER 20 12.695 -3.057 -8.497 Start of MODEL 18 1 H1 ASP 1 HT1 ASP 1 32.092 -10.254 3.713 2 H2 ASP 1 HT2 ASP 1 30.589 -9.842 3.033 3 H3 ASP 1 HT3 ASP 1 30.738 -10.041 4.713 4 HA ASP 1 HA ASP 1 31.982 -7.882 3.078 5 HB2 ASP 1 HB2 ASP 1 29.417 -8.119 3.745 6 HB3 ASP 1 HB1 ASP 1 30.002 -7.556 5.311 7 H GLY 2 HN GLY 2 32.145 -6.079 5.194 8 HA2 GLY 2 HA2 GLY 2 33.859 -7.434 7.247 9 HA3 GLY 2 HA1 GLY 2 34.457 -6.012 6.392 10 H ILE 3 HN ILE 3 32.202 -4.392 6.340 11 HA ILE 3 HA ILE 3 32.169 -3.326 9.035 12 HB ILE 3 HB ILE 3 32.067 -1.987 6.956 13 HG12 ILE 3 HG12 ILE 3 29.430 -1.273 7.982 14 HG13 ILE 3 HG11 ILE 3 30.572 -1.598 9.284 15 HG21 ILE 3 HG21 ILE 3 30.189 -3.870 6.142 16 HG22 ILE 3 HG22 ILE 3 30.568 -2.363 5.307 17 HG23 ILE 3 HG23 ILE 3 29.220 -2.427 6.442 18 HD11 ILE 3 HD11 ILE 3 30.740 0.465 7.101 19 HD12 ILE 3 HD12 ILE 3 32.206 -0.112 7.894 20 HD13 ILE 3 HD13 ILE 3 30.943 0.675 8.841 21 H SER 4 HN SER 4 31.345 -5.446 10.007 22 HA SER 4 HA SER 4 29.628 -6.566 11.177 23 HB2 SER 4 HB2 SER 4 28.975 -4.181 11.606 24 HB3 SER 4 HB1 SER 4 27.932 -4.256 10.189 25 HG SER 4 HG SER 4 27.317 -4.974 12.618 26 H TRP 5 HN TRP 5 29.395 -8.426 9.940 27 HA TRP 5 HA TRP 5 28.310 -8.705 7.368 28 HB2 TRP 5 HB2 TRP 5 28.701 -10.431 9.758 29 HB3 TRP 5 HB1 TRP 5 27.688 -11.069 8.464 30 HD1 TRP 5 HD1 TRP 5 30.867 -8.893 8.183 31 HE1 TRP 5 HE1 TRP 5 32.570 -10.123 6.686 32 HE3 TRP 5 HE3 TRP 5 28.334 -13.260 7.381 33 HZ2 TRP 5 HZ2 TRP 5 32.822 -12.629 5.343 34 HZ3 TRP 5 HZ3 TRP 5 29.335 -15.051 5.989 35 HH2 TRP 5 HH2 TRP 5 31.574 -14.741 4.969 36 HA PRO 6 HA PRO 6 23.995 -9.515 9.345 37 HB2 PRO 6 HB2 PRO 6 23.623 -8.366 11.801 38 HB3 PRO 6 HB1 PRO 6 24.092 -10.051 11.572 39 HG2 PRO 6 HG2 PRO 6 25.766 -7.665 12.179 40 HG3 PRO 6 HG1 PRO 6 25.845 -9.301 12.857 41 HD2 PRO 6 HD2 PRO 6 27.568 -8.496 10.986 42 HD3 PRO 6 HD1 PRO 6 26.941 -10.143 11.001 43 H PHE 7 HN PHE 7 25.674 -6.473 10.179 44 HA PHE 7 HA PHE 7 23.468 -4.687 9.704 45 HB2 PHE 7 HB2 PHE 7 25.708 -4.172 10.778 46 HB3 PHE 7 HB1 PHE 7 26.436 -4.265 9.175 47 HD1 PHE 7 HD1 PHE 7 23.681 -2.536 11.044 48 HD2 PHE 7 HD2 PHE 7 26.510 -2.360 7.815 49 HE1 PHE 7 HE1 PHE 7 23.039 -0.180 10.612 50 HE2 PHE 7 HE2 PHE 7 25.868 -0.003 7.384 51 HZ PHE 7 HZ PHE 7 24.134 1.086 8.782 52 H VAL 8 HN VAL 8 26.116 -5.849 7.565 53 HA VAL 8 HA VAL 8 25.066 -4.656 5.140 54 HB VAL 8 HB VAL 8 26.905 -7.014 5.707 55 HG11 VAL 8 HG11 VAL 8 27.250 -5.630 3.154 56 HG12 VAL 8 HG12 VAL 8 25.673 -6.410 3.283 57 HG13 VAL 8 HG13 VAL 8 27.146 -7.359 3.487 58 HG21 VAL 8 HG21 VAL 8 27.314 -4.342 6.209 59 HG22 VAL 8 HG22 VAL 8 27.965 -4.497 4.577 60 HG23 VAL 8 HG23 VAL 8 28.602 -5.499 5.880 61 H LEU 9 HN LEU 9 24.665 -7.793 6.748 62 HA LEU 9 HA LEU 9 23.272 -9.298 4.810 63 HB2 LEU 9 HB2 LEU 9 24.075 -9.707 7.315 64 HB3 LEU 9 HB1 LEU 9 22.397 -9.311 7.679 65 HG LEU 9 HG LEU 9 22.532 -11.137 5.433 66 HD11 LEU 9 HD11 LEU 9 24.242 -11.707 7.807 67 HD12 LEU 9 HD12 LEU 9 24.414 -12.255 6.139 68 HD13 LEU 9 HD13 LEU 9 23.243 -13.030 7.207 69 HD21 LEU 9 HD21 LEU 9 21.460 -11.470 8.253 70 HD22 LEU 9 HD22 LEU 9 20.997 -12.419 6.841 71 HD23 LEU 9 HD23 LEU 9 20.579 -10.707 6.929 72 H LEU 10 HN LEU 10 22.020 -6.829 7.064 73 HA LEU 10 HA LEU 10 19.268 -7.118 5.974 74 HB2 LEU 10 HB2 LEU 10 20.388 -6.555 8.452 75 HB3 LEU 10 HB1 LEU 10 19.842 -4.972 7.899 76 HG LEU 10 HG LEU 10 17.800 -6.863 7.259 77 HD11 LEU 10 HD11 LEU 10 17.499 -8.159 9.103 78 HD12 LEU 10 HD12 LEU 10 18.035 -6.888 10.203 79 HD13 LEU 10 HD13 LEU 10 19.222 -7.885 9.361 80 HD21 LEU 10 HD21 LEU 10 17.467 -4.470 7.694 81 HD22 LEU 10 HD22 LEU 10 17.998 -4.684 9.363 82 HD23 LEU 10 HD23 LEU 10 16.495 -5.426 8.814 83 H ILE 11 HN ILE 11 21.981 -4.801 5.951 84 HA ILE 11 HA ILE 11 20.555 -2.592 4.779 85 HB ILE 11 HB ILE 11 23.434 -3.496 4.914 86 HG12 ILE 11 HG12 ILE 11 22.223 -2.563 6.925 87 HG13 ILE 11 HG11 ILE 11 23.641 -1.632 6.447 88 HG21 ILE 11 HG21 ILE 11 22.237 -1.394 3.191 89 HG22 ILE 11 HG22 ILE 11 23.762 -2.264 3.012 90 HG23 ILE 11 HG23 ILE 11 23.649 -0.902 4.128 91 HD11 ILE 11 HD11 ILE 11 21.636 -0.206 6.959 92 HD12 ILE 11 HD12 ILE 11 20.809 -0.959 5.595 93 HD13 ILE 11 HD13 ILE 11 22.255 0.012 5.322 94 H MET 12 HN MET 12 22.358 -5.322 3.300 95 HA MET 12 HA MET 12 22.225 -4.492 0.595 96 HB2 MET 12 HB2 MET 12 23.521 -6.410 1.540 97 HB3 MET 12 HB1 MET 12 22.016 -7.303 1.722 98 HG2 MET 12 HG2 MET 12 21.721 -6.750 -0.844 99 HG3 MET 12 HG1 MET 12 23.473 -6.544 -0.787 100 HE1 MET 12 HE1 MET 12 24.212 -9.745 -2.078 101 HE2 MET 12 HE2 MET 12 25.171 -8.861 -0.892 102 HE3 MET 12 HE3 MET 12 24.244 -7.975 -2.101 103 HA PRO 13 HA PRO 13 18.044 -6.785 0.108 104 HB2 PRO 13 HB2 PRO 13 16.644 -7.376 2.384 105 HB3 PRO 13 HB1 PRO 13 17.809 -8.487 1.643 106 HG2 PRO 13 HG2 PRO 13 18.208 -6.635 3.921 107 HG3 PRO 13 HG1 PRO 13 18.683 -8.335 3.749 108 HD2 PRO 13 HD2 PRO 13 20.411 -6.356 3.379 109 HD3 PRO 13 HD1 PRO 13 20.504 -7.828 2.412 110 H LEU 14 HN LEU 14 18.709 -4.326 2.492 111 HA LEU 14 HA LEU 14 16.079 -3.093 2.564 112 HB2 LEU 14 HB2 LEU 14 18.141 -2.807 4.122 113 HB3 LEU 14 HB1 LEU 14 18.736 -1.682 2.899 114 HG LEU 14 HG LEU 14 15.927 -1.208 3.597 115 HD11 LEU 14 HD11 LEU 14 16.788 -2.019 5.797 116 HD12 LEU 14 HD12 LEU 14 16.334 -0.315 5.828 117 HD13 LEU 14 HD13 LEU 14 18.036 -0.772 5.732 118 HD21 LEU 14 HD21 LEU 14 18.358 0.587 3.819 119 HD22 LEU 14 HD22 LEU 14 16.676 1.082 3.638 120 HD23 LEU 14 HD23 LEU 14 17.510 0.289 2.302 121 H VAL 15 HN VAL 15 18.985 -2.693 0.582 122 HA VAL 15 HA VAL 15 17.919 -0.531 -1.085 123 HB VAL 15 HB VAL 15 20.092 -2.546 -1.741 124 HG11 VAL 15 HG11 VAL 15 21.041 -0.707 -3.027 125 HG12 VAL 15 HG12 VAL 15 19.811 0.401 -2.417 126 HG13 VAL 15 HG13 VAL 15 19.352 -0.919 -3.493 127 HG21 VAL 15 HG21 VAL 15 21.509 -1.654 -0.192 128 HG22 VAL 15 HG22 VAL 15 20.060 -1.024 0.592 129 HG23 VAL 15 HG23 VAL 15 20.972 -0.009 -0.526 130 H ILE 16 HN ILE 16 18.296 -4.055 -1.311 131 HA ILE 16 HA ILE 16 17.505 -4.550 -3.933 132 HB ILE 16 HB ILE 16 17.014 -6.031 -1.333 133 HG12 ILE 16 HG12 ILE 16 18.949 -6.447 -3.633 134 HG13 ILE 16 HG11 ILE 16 19.363 -5.781 -2.059 135 HG21 ILE 16 HG21 ILE 16 16.599 -7.066 -4.157 136 HG22 ILE 16 HG22 ILE 16 15.310 -6.731 -3.000 137 HG23 ILE 16 HG23 ILE 16 16.472 -8.017 -2.678 138 HD11 ILE 16 HD11 ILE 16 18.868 -8.588 -2.848 139 HD12 ILE 16 HD12 ILE 16 18.147 -8.102 -1.314 140 HD13 ILE 16 HD13 ILE 16 19.887 -7.943 -1.561 141 H TRP 17 HN TRP 17 15.292 -4.472 -1.088 142 HA TRP 17 HA TRP 17 12.879 -4.599 -2.598 143 HB2 TRP 17 HB2 TRP 17 12.048 -4.756 -0.547 144 HB3 TRP 17 HB1 TRP 17 13.643 -4.565 0.076 145 HD1 TRP 17 HD1 TRP 17 14.129 -2.324 1.365 146 HE1 TRP 17 HE1 TRP 17 12.738 -0.222 1.908 147 HE3 TRP 17 HE3 TRP 17 10.338 -3.129 -1.731 148 HZ2 TRP 17 HZ2 TRP 17 10.255 0.969 1.045 149 HZ3 TRP 17 HZ3 TRP 17 8.418 -1.536 -1.933 150 HH2 TRP 17 HH2 TRP 17 8.391 0.530 -0.547 151 H VAL 18 HN VAL 18 14.557 -1.835 -1.160 152 HA VAL 18 HA VAL 18 12.765 0.146 -1.902 153 HB VAL 18 HB VAL 18 15.660 -0.052 -1.237 154 HG11 VAL 18 HG11 VAL 18 15.939 1.488 -3.047 155 HG12 VAL 18 HG12 VAL 18 15.882 2.469 -1.582 156 HG13 VAL 18 HG13 VAL 18 14.464 2.358 -2.624 157 HG21 VAL 18 HG21 VAL 18 14.635 0.498 0.700 158 HG22 VAL 18 HG22 VAL 18 13.162 0.995 -0.135 159 HG23 VAL 18 HG23 VAL 18 14.500 2.129 0.042 160 H TYR 19 HN TYR 19 15.590 -1.058 -3.773 161 HA TYR 19 HA TYR 19 14.670 0.480 -6.163 162 HB2 TYR 19 HB2 TYR 19 17.104 0.262 -5.160 163 HB3 TYR 19 HB1 TYR 19 17.115 -1.277 -6.022 164 HD1 TYR 19 HD2 TYR 19 16.932 -1.346 -8.481 165 HD2 TYR 19 HD1 TYR 19 17.071 2.378 -6.344 166 HE1 TYR 19 HE2 TYR 19 17.412 -0.146 -10.600 167 HE2 TYR 19 HE1 TYR 19 17.550 3.576 -8.466 168 HH TYR 19 HH TYR 19 16.946 2.543 -11.325 169 H SER 20 HN SER 20 12.748 -1.259 -5.908 170 HA SER 20 HA SER 20 13.422 -3.575 -7.703 171 HB2 SER 20 HB2 SER 20 12.080 -3.397 -5.050 172 HB3 SER 20 HB1 SER 20 11.392 -4.534 -6.204 173 HG SER 20 HG SER 20 14.009 -4.438 -5.096 Start of MODEL 19 1 H1 ASP 1 HT1 ASP 1 29.680 -2.869 4.077 2 H2 ASP 1 HT2 ASP 1 29.927 -1.304 4.691 3 H3 ASP 1 HT3 ASP 1 29.363 -2.542 5.714 4 HA ASP 1 HA ASP 1 32.085 -2.174 4.582 5 HB2 ASP 1 HB2 ASP 1 32.621 -2.298 6.998 6 HB3 ASP 1 HB1 ASP 1 31.316 -1.133 6.763 7 H GLY 2 HN GLY 2 33.401 -4.099 5.986 8 HA2 GLY 2 HA2 GLY 2 32.140 -6.666 5.081 9 HA3 GLY 2 HA1 GLY 2 33.877 -6.370 5.016 10 H ILE 3 HN ILE 3 32.601 -4.995 7.827 11 HA ILE 3 HA ILE 3 33.623 -7.265 9.464 12 HB ILE 3 HB ILE 3 33.121 -4.336 9.928 13 HG12 ILE 3 HG12 ILE 3 35.748 -5.501 10.527 14 HG13 ILE 3 HG11 ILE 3 35.278 -5.659 8.834 15 HG21 ILE 3 HG21 ILE 3 33.887 -6.500 11.888 16 HG22 ILE 3 HG22 ILE 3 32.558 -5.347 12.014 17 HG23 ILE 3 HG23 ILE 3 34.224 -4.794 12.184 18 HD11 ILE 3 HD11 ILE 3 35.582 -3.460 8.456 19 HD12 ILE 3 HD12 ILE 3 36.356 -3.384 10.037 20 HD13 ILE 3 HD13 ILE 3 34.638 -3.017 9.879 21 H SER 4 HN SER 4 30.936 -4.875 9.535 22 HA SER 4 HA SER 4 29.365 -6.564 11.362 23 HB2 SER 4 HB2 SER 4 29.392 -4.016 11.241 24 HB3 SER 4 HB1 SER 4 28.482 -4.162 9.738 25 HG SER 4 HG SER 4 27.616 -4.360 12.285 26 H TRP 5 HN TRP 5 29.490 -8.451 9.830 27 HA TRP 5 HA TRP 5 28.333 -8.577 7.285 28 HB2 TRP 5 HB2 TRP 5 28.649 -10.507 9.559 29 HB3 TRP 5 HB1 TRP 5 27.870 -11.020 8.063 30 HD1 TRP 5 HD1 TRP 5 30.784 -8.527 8.161 31 HE1 TRP 5 HE1 TRP 5 32.805 -9.558 6.945 32 HE3 TRP 5 HE3 TRP 5 28.983 -13.234 7.325 33 HZ2 TRP 5 HZ2 TRP 5 33.556 -12.061 5.771 34 HZ3 TRP 5 HZ3 TRP 5 30.373 -14.920 6.156 35 HH2 TRP 5 HH2 TRP 5 32.655 -14.341 5.378 36 HA PRO 6 HA PRO 6 24.089 -9.502 9.365 37 HB2 PRO 6 HB2 PRO 6 23.766 -8.369 11.836 38 HB3 PRO 6 HB1 PRO 6 24.243 -10.049 11.585 39 HG2 PRO 6 HG2 PRO 6 25.909 -7.653 12.170 40 HG3 PRO 6 HG1 PRO 6 26.019 -9.294 12.832 41 HD2 PRO 6 HD2 PRO 6 27.689 -8.458 10.927 42 HD3 PRO 6 HD1 PRO 6 27.078 -10.108 10.948 43 H PHE 7 HN PHE 7 25.707 -6.395 10.252 44 HA PHE 7 HA PHE 7 23.427 -4.706 9.778 45 HB2 PHE 7 HB2 PHE 7 25.575 -4.039 10.870 46 HB3 PHE 7 HB1 PHE 7 26.389 -4.184 9.313 47 HD1 PHE 7 HD1 PHE 7 23.375 -2.523 10.826 48 HD2 PHE 7 HD2 PHE 7 26.601 -2.271 8.001 49 HE1 PHE 7 HE1 PHE 7 22.692 -0.210 10.251 50 HE2 PHE 7 HE2 PHE 7 25.917 0.043 7.428 51 HZ PHE 7 HZ PHE 7 23.963 1.073 8.553 52 H VAL 8 HN VAL 8 26.082 -5.794 7.623 53 HA VAL 8 HA VAL 8 25.013 -4.577 5.216 54 HB VAL 8 HB VAL 8 26.907 -6.889 5.785 55 HG11 VAL 8 HG11 VAL 8 26.074 -7.240 3.560 56 HG12 VAL 8 HG12 VAL 8 27.655 -6.476 3.394 57 HG13 VAL 8 HG13 VAL 8 26.188 -5.521 3.181 58 HG21 VAL 8 HG21 VAL 8 27.603 -4.157 4.706 59 HG22 VAL 8 HG22 VAL 8 28.650 -5.316 5.524 60 HG23 VAL 8 HG23 VAL 8 27.437 -4.424 6.442 61 H LEU 9 HN LEU 9 24.657 -7.738 6.791 62 HA LEU 9 HA LEU 9 23.294 -9.240 4.832 63 HB2 LEU 9 HB2 LEU 9 24.082 -9.659 7.344 64 HB3 LEU 9 HB1 LEU 9 22.389 -9.312 7.688 65 HG LEU 9 HG LEU 9 22.272 -11.027 5.497 66 HD11 LEU 9 HD11 LEU 9 24.783 -11.383 6.074 67 HD12 LEU 9 HD12 LEU 9 23.770 -12.807 5.841 68 HD13 LEU 9 HD13 LEU 9 24.177 -12.273 7.471 69 HD21 LEU 9 HD21 LEU 9 22.011 -11.466 8.479 70 HD22 LEU 9 HD22 LEU 9 21.612 -12.720 7.306 71 HD23 LEU 9 HD23 LEU 9 20.723 -11.197 7.304 72 H LEU 10 HN LEU 10 21.999 -6.792 7.087 73 HA LEU 10 HA LEU 10 19.256 -7.127 5.978 74 HB2 LEU 10 HB2 LEU 10 20.255 -6.636 8.471 75 HB3 LEU 10 HB1 LEU 10 19.899 -4.993 7.941 76 HG LEU 10 HG LEU 10 17.706 -6.651 7.167 77 HD11 LEU 10 HD11 LEU 10 16.969 -7.361 9.456 78 HD12 LEU 10 HD12 LEU 10 18.575 -6.951 10.056 79 HD13 LEU 10 HD13 LEU 10 18.380 -8.243 8.873 80 HD21 LEU 10 HD21 LEU 10 17.415 -4.321 7.582 81 HD22 LEU 10 HD22 LEU 10 18.136 -4.437 9.187 82 HD23 LEU 10 HD23 LEU 10 16.547 -5.137 8.878 83 H ILE 11 HN ILE 11 21.938 -4.768 5.983 84 HA ILE 11 HA ILE 11 20.475 -2.586 4.793 85 HB ILE 11 HB ILE 11 23.369 -3.414 5.001 86 HG12 ILE 11 HG12 ILE 11 22.066 -2.513 6.970 87 HG13 ILE 11 HG11 ILE 11 23.481 -1.554 6.545 88 HG21 ILE 11 HG21 ILE 11 23.471 -2.237 2.963 89 HG22 ILE 11 HG22 ILE 11 23.777 -0.980 4.162 90 HG23 ILE 11 HG23 ILE 11 22.179 -1.131 3.431 91 HD11 ILE 11 HD11 ILE 11 21.362 -0.217 7.000 92 HD12 ILE 11 HD12 ILE 11 20.699 -0.916 5.524 93 HD13 ILE 11 HD13 ILE 11 22.134 0.107 5.447 94 H MET 12 HN MET 12 22.295 -5.320 3.369 95 HA MET 12 HA MET 12 22.223 -4.474 0.655 96 HB2 MET 12 HB2 MET 12 23.527 -6.382 1.646 97 HB3 MET 12 HB1 MET 12 22.033 -7.307 1.729 98 HG2 MET 12 HG2 MET 12 21.858 -7.501 -0.586 99 HG3 MET 12 HG1 MET 12 22.827 -6.054 -0.879 100 HE1 MET 12 HE1 MET 12 23.967 -6.775 -2.512 101 HE2 MET 12 HE2 MET 12 23.994 -8.518 -2.770 102 HE3 MET 12 HE3 MET 12 25.495 -7.659 -2.439 103 HA PRO 13 HA PRO 13 18.083 -6.833 0.096 104 HB2 PRO 13 HB2 PRO 13 16.641 -7.418 2.349 105 HB3 PRO 13 HB1 PRO 13 17.827 -8.529 1.641 106 HG2 PRO 13 HG2 PRO 13 18.174 -6.647 3.903 107 HG3 PRO 13 HG1 PRO 13 18.652 -8.349 3.768 108 HD2 PRO 13 HD2 PRO 13 20.395 -6.391 3.408 109 HD3 PRO 13 HD1 PRO 13 20.495 -7.861 2.442 110 H LEU 14 HN LEU 14 18.698 -4.350 2.457 111 HA LEU 14 HA LEU 14 16.057 -3.147 2.508 112 HB2 LEU 14 HB2 LEU 14 18.124 -2.852 4.063 113 HB3 LEU 14 HB1 LEU 14 18.686 -1.697 2.854 114 HG LEU 14 HG LEU 14 15.862 -1.380 3.705 115 HD11 LEU 14 HD11 LEU 14 16.209 -0.879 5.891 116 HD12 LEU 14 HD12 LEU 14 17.767 -0.120 5.566 117 HD13 LEU 14 HD13 LEU 14 17.656 -1.873 5.721 118 HD21 LEU 14 HD21 LEU 14 16.636 0.299 2.266 119 HD22 LEU 14 HD22 LEU 14 18.236 0.332 3.009 120 HD23 LEU 14 HD23 LEU 14 16.859 1.043 3.849 121 H VAL 15 HN VAL 15 18.987 -2.648 0.573 122 HA VAL 15 HA VAL 15 17.886 -0.512 -1.088 123 HB VAL 15 HB VAL 15 20.070 -2.467 -1.846 124 HG11 VAL 15 HG11 VAL 15 21.042 -0.270 -2.743 125 HG12 VAL 15 HG12 VAL 15 19.469 0.447 -2.396 126 HG13 VAL 15 HG13 VAL 15 19.597 -0.877 -3.554 127 HG21 VAL 15 HG21 VAL 15 20.031 -0.474 0.381 128 HG22 VAL 15 HG22 VAL 15 21.472 -0.485 -0.635 129 HG23 VAL 15 HG23 VAL 15 20.981 -1.950 0.214 130 H ILE 16 HN ILE 16 18.272 -4.029 -1.341 131 HA ILE 16 HA ILE 16 17.498 -4.499 -3.979 132 HB ILE 16 HB ILE 16 17.007 -6.009 -1.394 133 HG12 ILE 16 HG12 ILE 16 18.935 -6.471 -3.690 134 HG13 ILE 16 HG11 ILE 16 19.363 -5.685 -2.177 135 HG21 ILE 16 HG21 ILE 16 16.730 -7.999 -3.043 136 HG22 ILE 16 HG22 ILE 16 16.341 -6.764 -4.239 137 HG23 ILE 16 HG23 ILE 16 15.346 -6.936 -2.792 138 HD11 ILE 16 HD11 ILE 16 19.688 -8.328 -2.583 139 HD12 ILE 16 HD12 ILE 16 18.036 -8.338 -1.966 140 HD13 ILE 16 HD13 ILE 16 19.337 -7.650 -0.994 141 H TRP 17 HN TRP 17 15.276 -4.472 -1.141 142 HA TRP 17 HA TRP 17 12.869 -4.606 -2.649 143 HB2 TRP 17 HB2 TRP 17 12.047 -4.784 -0.598 144 HB3 TRP 17 HB1 TRP 17 13.637 -4.551 0.026 145 HD1 TRP 17 HD1 TRP 17 14.051 -2.314 1.332 146 HE1 TRP 17 HE1 TRP 17 12.609 -0.244 1.867 147 HE3 TRP 17 HE3 TRP 17 10.317 -3.179 -1.817 148 HZ2 TRP 17 HZ2 TRP 17 10.117 0.902 0.977 149 HZ3 TRP 17 HZ3 TRP 17 8.369 -1.624 -2.037 150 HH2 TRP 17 HH2 TRP 17 8.283 0.433 -0.641 151 H VAL 18 HN VAL 18 14.509 -1.818 -1.209 152 HA VAL 18 HA VAL 18 12.697 0.140 -1.966 153 HB VAL 18 HB VAL 18 15.645 0.020 -1.404 154 HG11 VAL 18 HG11 VAL 18 15.179 1.757 -3.278 155 HG12 VAL 18 HG12 VAL 18 16.047 2.305 -1.845 156 HG13 VAL 18 HG13 VAL 18 14.331 2.665 -2.027 157 HG21 VAL 18 HG21 VAL 18 14.626 0.266 0.612 158 HG22 VAL 18 HG22 VAL 18 13.140 0.886 -0.109 159 HG23 VAL 18 HG23 VAL 18 14.509 1.966 0.159 160 H TYR 19 HN TYR 19 15.550 -1.036 -3.811 161 HA TYR 19 HA TYR 19 14.659 0.482 -6.218 162 HB2 TYR 19 HB2 TYR 19 17.070 0.280 -5.242 163 HB3 TYR 19 HB1 TYR 19 17.068 -1.330 -5.962 164 HD1 TYR 19 HD2 TYR 19 16.891 2.296 -6.657 165 HD2 TYR 19 HD1 TYR 19 17.110 -1.638 -8.366 166 HE1 TYR 19 HE2 TYR 19 17.411 3.285 -8.874 167 HE2 TYR 19 HE1 TYR 19 17.631 -0.646 -10.580 168 HH TYR 19 HH TYR 19 17.031 1.928 -11.617 169 H SER 20 HN SER 20 12.679 -1.099 -6.134 170 HA SER 20 HA SER 20 13.312 -3.492 -7.830 171 HB2 SER 20 HB2 SER 20 11.863 -3.241 -5.222 172 HB3 SER 20 HB1 SER 20 11.284 -4.436 -6.377 173 HG SER 20 HG SER 20 13.850 -4.212 -5.158 Start of MODEL 20 1 H1 ASP 1 HT1 ASP 1 32.226 -10.202 3.750 2 H2 ASP 1 HT2 ASP 1 31.026 -9.811 2.613 3 H3 ASP 1 HT3 ASP 1 30.638 -9.895 4.265 4 HA ASP 1 HA ASP 1 32.205 -7.819 2.839 5 HB2 ASP 1 HB2 ASP 1 29.591 -8.041 3.349 6 HB3 ASP 1 HB1 ASP 1 30.089 -7.415 4.922 7 H GLY 2 HN GLY 2 32.215 -5.993 4.978 8 HA2 GLY 2 HA2 GLY 2 33.813 -7.373 7.110 9 HA3 GLY 2 HA1 GLY 2 34.451 -5.939 6.312 10 H ILE 3 HN ILE 3 32.191 -4.309 6.198 11 HA ILE 3 HA ILE 3 32.090 -3.248 8.875 12 HB ILE 3 HB ILE 3 31.933 -1.939 6.780 13 HG12 ILE 3 HG12 ILE 3 29.307 -1.237 7.810 14 HG13 ILE 3 HG11 ILE 3 30.429 -1.583 9.123 15 HG21 ILE 3 HG21 ILE 3 30.059 -2.022 5.333 16 HG22 ILE 3 HG22 ILE 3 29.097 -2.934 6.493 17 HG23 ILE 3 HG23 ILE 3 30.436 -3.714 5.652 18 HD11 ILE 3 HD11 ILE 3 31.370 0.127 6.851 19 HD12 ILE 3 HD12 ILE 3 31.863 0.145 8.547 20 HD13 ILE 3 HD13 ILE 3 30.317 0.841 8.072 21 H SER 4 HN SER 4 31.334 -5.373 9.892 22 HA SER 4 HA SER 4 29.658 -6.527 11.089 23 HB2 SER 4 HB2 SER 4 28.997 -4.134 11.513 24 HB3 SER 4 HB1 SER 4 27.902 -4.247 10.139 25 HG SER 4 HG SER 4 27.431 -4.974 12.621 26 H TRP 5 HN TRP 5 29.435 -8.380 9.836 27 HA TRP 5 HA TRP 5 28.263 -8.665 7.303 28 HB2 TRP 5 HB2 TRP 5 28.770 -10.395 9.669 29 HB3 TRP 5 HB1 TRP 5 27.739 -11.047 8.394 30 HD1 TRP 5 HD1 TRP 5 30.853 -8.785 8.049 31 HE1 TRP 5 HE1 TRP 5 32.546 -9.962 6.496 32 HE3 TRP 5 HE3 TRP 5 28.406 -13.203 7.282 33 HZ2 TRP 5 HZ2 TRP 5 32.821 -12.454 5.128 34 HZ3 TRP 5 HZ3 TRP 5 29.409 -14.960 5.850 35 HH2 TRP 5 HH2 TRP 5 31.612 -14.592 4.772 36 HA PRO 6 HA PRO 6 24.043 -9.543 9.455 37 HB2 PRO 6 HB2 PRO 6 23.745 -8.389 11.917 38 HB3 PRO 6 HB1 PRO 6 24.245 -10.063 11.680 39 HG2 PRO 6 HG2 PRO 6 25.879 -7.635 12.214 40 HG3 PRO 6 HG1 PRO 6 26.026 -9.267 12.888 41 HD2 PRO 6 HD2 PRO 6 27.649 -8.411 10.945 42 HD3 PRO 6 HD1 PRO 6 27.082 -10.078 11.002 43 H PHE 7 HN PHE 7 25.737 -6.477 10.111 44 HA PHE 7 HA PHE 7 23.452 -4.741 9.733 45 HB2 PHE 7 HB2 PHE 7 25.686 -4.157 10.768 46 HB3 PHE 7 HB1 PHE 7 26.402 -4.252 9.160 47 HD1 PHE 7 HD1 PHE 7 23.521 -2.617 10.933 48 HD2 PHE 7 HD2 PHE 7 26.527 -2.313 7.877 49 HE1 PHE 7 HE1 PHE 7 22.821 -0.282 10.478 50 HE2 PHE 7 HE2 PHE 7 25.826 0.022 7.422 51 HZ PHE 7 HZ PHE 7 23.973 1.037 8.721 52 H VAL 8 HN VAL 8 26.093 -5.823 7.545 53 HA VAL 8 HA VAL 8 24.994 -4.670 5.131 54 HB VAL 8 HB VAL 8 26.857 -7.011 5.692 55 HG11 VAL 8 HG11 VAL 8 27.260 -7.260 3.448 56 HG12 VAL 8 HG12 VAL 8 26.952 -5.560 3.096 57 HG13 VAL 8 HG13 VAL 8 25.602 -6.671 3.322 58 HG21 VAL 8 HG21 VAL 8 28.226 -5.303 6.298 59 HG22 VAL 8 HG22 VAL 8 27.153 -4.087 5.606 60 HG23 VAL 8 HG23 VAL 8 28.310 -4.932 4.577 61 H LEU 9 HN LEU 9 24.598 -7.790 6.779 62 HA LEU 9 HA LEU 9 23.209 -9.319 4.854 63 HB2 LEU 9 HB2 LEU 9 23.884 -9.467 7.544 64 HB3 LEU 9 HB1 LEU 9 22.125 -9.493 7.576 65 HG LEU 9 HG LEU 9 23.128 -11.188 5.447 66 HD11 LEU 9 HD11 LEU 9 24.199 -12.887 6.859 67 HD12 LEU 9 HD12 LEU 9 24.031 -11.840 8.268 68 HD13 LEU 9 HD13 LEU 9 25.098 -11.373 6.943 69 HD21 LEU 9 HD21 LEU 9 21.847 -12.396 7.813 70 HD22 LEU 9 HD22 LEU 9 21.350 -12.440 6.122 71 HD23 LEU 9 HD23 LEU 9 20.949 -11.044 7.121 72 H LEU 10 HN LEU 10 21.966 -6.806 7.054 73 HA LEU 10 HA LEU 10 19.210 -7.107 5.968 74 HB2 LEU 10 HB2 LEU 10 20.563 -6.032 8.360 75 HB3 LEU 10 HB1 LEU 10 19.213 -5.048 7.799 76 HG LEU 10 HG LEU 10 18.670 -7.944 7.796 77 HD11 LEU 10 HD11 LEU 10 20.107 -7.686 9.829 78 HD12 LEU 10 HD12 LEU 10 18.445 -8.135 10.210 79 HD13 LEU 10 HD13 LEU 10 18.979 -6.469 10.426 80 HD21 LEU 10 HD21 LEU 10 17.273 -5.483 7.864 81 HD22 LEU 10 HD22 LEU 10 16.928 -6.284 9.398 82 HD23 LEU 10 HD23 LEU 10 16.579 -7.105 7.877 83 H ILE 11 HN ILE 11 21.933 -4.808 5.960 84 HA ILE 11 HA ILE 11 20.509 -2.592 4.792 85 HB ILE 11 HB ILE 11 23.395 -3.484 4.930 86 HG12 ILE 11 HG12 ILE 11 22.188 -2.603 6.960 87 HG13 ILE 11 HG11 ILE 11 23.586 -1.639 6.492 88 HG21 ILE 11 HG21 ILE 11 22.788 -2.112 2.796 89 HG22 ILE 11 HG22 ILE 11 24.134 -1.555 3.788 90 HG23 ILE 11 HG23 ILE 11 22.561 -0.768 3.912 91 HD11 ILE 11 HD11 ILE 11 22.311 0.155 5.861 92 HD12 ILE 11 HD12 ILE 11 21.154 -0.554 6.987 93 HD13 ILE 11 HD13 ILE 11 20.999 -0.856 5.256 94 H MET 12 HN MET 12 22.360 -5.294 3.329 95 HA MET 12 HA MET 12 22.244 -4.461 0.629 96 HB2 MET 12 HB2 MET 12 23.541 -6.380 1.633 97 HB3 MET 12 HB1 MET 12 22.042 -7.304 1.668 98 HG2 MET 12 HG2 MET 12 22.514 -7.943 -0.442 99 HG3 MET 12 HG1 MET 12 22.158 -6.288 -0.935 100 HE1 MET 12 HE1 MET 12 24.855 -9.015 -1.126 101 HE2 MET 12 HE2 MET 12 25.531 -8.051 -2.436 102 HE3 MET 12 HE3 MET 12 23.792 -8.310 -2.351 103 HA PRO 13 HA PRO 13 18.107 -6.828 0.086 104 HB2 PRO 13 HB2 PRO 13 16.675 -7.413 2.342 105 HB3 PRO 13 HB1 PRO 13 17.870 -8.515 1.634 106 HG2 PRO 13 HG2 PRO 13 18.207 -6.623 3.893 107 HG3 PRO 13 HG1 PRO 13 18.699 -8.322 3.760 108 HD2 PRO 13 HD2 PRO 13 20.423 -6.345 3.387 109 HD3 PRO 13 HD1 PRO 13 20.532 -7.825 2.434 110 H LEU 14 HN LEU 14 18.701 -4.345 2.457 111 HA LEU 14 HA LEU 14 16.062 -3.130 2.467 112 HB2 LEU 14 HB2 LEU 14 18.041 -2.808 4.087 113 HB3 LEU 14 HB1 LEU 14 18.732 -1.749 2.857 114 HG LEU 14 HG LEU 14 15.967 -1.052 3.237 115 HD11 LEU 14 HD11 LEU 14 17.300 -1.923 5.643 116 HD12 LEU 14 HD12 LEU 14 15.659 -1.309 5.448 117 HD13 LEU 14 HD13 LEU 14 16.993 -0.189 5.726 118 HD21 LEU 14 HD21 LEU 14 17.396 1.033 4.230 119 HD22 LEU 14 HD22 LEU 14 17.200 0.729 2.504 120 HD23 LEU 14 HD23 LEU 14 18.659 0.191 3.334 121 H VAL 15 HN VAL 15 19.037 -2.633 0.602 122 HA VAL 15 HA VAL 15 18.004 -0.519 -1.116 123 HB VAL 15 HB VAL 15 20.151 -2.567 -1.752 124 HG11 VAL 15 HG11 VAL 15 20.791 0.150 -2.430 125 HG12 VAL 15 HG12 VAL 15 19.174 -0.218 -3.032 126 HG13 VAL 15 HG13 VAL 15 20.543 -1.223 -3.508 127 HG21 VAL 15 HG21 VAL 15 21.735 -0.902 -0.647 128 HG22 VAL 15 HG22 VAL 15 20.697 -1.776 0.477 129 HG23 VAL 15 HG23 VAL 15 20.317 -0.111 0.037 130 H ILE 16 HN ILE 16 18.342 -4.046 -1.324 131 HA ILE 16 HA ILE 16 17.536 -4.526 -3.951 132 HB ILE 16 HB ILE 16 17.067 -6.029 -1.357 133 HG12 ILE 16 HG12 ILE 16 18.990 -6.499 -3.658 134 HG13 ILE 16 HG11 ILE 16 19.422 -5.708 -2.147 135 HG21 ILE 16 HG21 ILE 16 16.886 -7.323 -4.070 136 HG22 ILE 16 HG22 ILE 16 15.456 -6.575 -3.358 137 HG23 ILE 16 HG23 ILE 16 16.266 -7.899 -2.523 138 HD11 ILE 16 HD11 ILE 16 18.102 -8.151 -1.493 139 HD12 ILE 16 HD12 ILE 16 19.787 -7.717 -1.207 140 HD13 ILE 16 HD13 ILE 16 19.324 -8.511 -2.712 141 H TRP 17 HN TRP 17 15.372 -4.462 -1.068 142 HA TRP 17 HA TRP 17 12.935 -4.592 -2.538 143 HB2 TRP 17 HB2 TRP 17 12.144 -4.769 -0.476 144 HB3 TRP 17 HB1 TRP 17 13.746 -4.553 0.123 145 HD1 TRP 17 HD1 TRP 17 14.199 -2.324 1.432 146 HE1 TRP 17 HE1 TRP 17 12.784 -0.247 2.005 147 HE3 TRP 17 HE3 TRP 17 10.403 -3.144 -1.654 148 HZ2 TRP 17 HZ2 TRP 17 10.286 0.924 1.167 149 HZ3 TRP 17 HZ3 TRP 17 8.464 -1.570 -1.831 150 HH2 TRP 17 HH2 TRP 17 8.421 0.479 -0.421 151 H VAL 18 HN VAL 18 14.618 -1.811 -1.120 152 HA VAL 18 HA VAL 18 12.800 0.155 -1.832 153 HB VAL 18 HB VAL 18 15.773 0.040 -1.393 154 HG11 VAL 18 HG11 VAL 18 14.441 2.121 -2.927 155 HG12 VAL 18 HG12 VAL 18 16.157 1.929 -2.568 156 HG13 VAL 18 HG13 VAL 18 15.106 2.770 -1.429 157 HG21 VAL 18 HG21 VAL 18 14.831 0.218 0.674 158 HG22 VAL 18 HG22 VAL 18 13.321 0.870 0.035 159 HG23 VAL 18 HG23 VAL 18 14.710 1.932 0.272 160 H TYR 19 HN TYR 19 15.584 -1.046 -3.767 161 HA TYR 19 HA TYR 19 14.592 0.466 -6.145 162 HB2 TYR 19 HB2 TYR 19 17.044 0.309 -5.206 163 HB3 TYR 19 HB1 TYR 19 17.067 -1.254 -6.020 164 HD1 TYR 19 HD2 TYR 19 16.813 2.397 -6.479 165 HD2 TYR 19 HD1 TYR 19 16.977 -1.418 -8.450 166 HE1 TYR 19 HE2 TYR 19 17.229 3.534 -8.648 167 HE2 TYR 19 HE1 TYR 19 17.394 -0.279 -10.616 168 HH TYR 19 HH TYR 19 16.737 2.338 -11.461 169 H SER 20 HN SER 20 12.700 -1.307 -5.836 170 HA SER 20 HA SER 20 13.365 -3.598 -7.662 171 HB2 SER 20 HB2 SER 20 12.127 -3.482 -4.955 172 HB3 SER 20 HB1 SER 20 11.423 -4.625 -6.094 173 HG SER 20 HG SER 20 14.072 -4.475 -5.081