*HEADER TOXIN 29-DEC-09 SMS20114 *TITLE ALPHA-CONOTOXIN FI *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN FI; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS EPISCOPATUS; *SOURCE 4 ORGANISM_COMMON: BISHOP'S CONE; *SOURCE 5 ORGANISM_TAXID: 88764; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS ALPHA-CONOTOXIN, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR J.YUN, S.LEE, S.RHO, H.JUNG, J.KIM ! ANSIG v3.3 XPLOR distance restraints file ! No distance corrections applied. -4CV4-15-5-intraresidue-pseudo ! Trivial distances output. ! residue 2 Cys , intraresidue NOEs assi (resi 2 and name HA ) (resi 2 and name HB# ) 3.00 1.20 1.10 assi (resi 2 and name HN ) (resi 2 and name HB# ) 4.00 2.20 2.00 ! residue 3 Cys , interresidue NOEs assi (resi 3 and name HN ) (resi 3 and name HA ) 2.50 0.70 0.20 assi (resi 3 and name HN ) (resi 3 and name HB# ) 3.00 1.20 1.10 assi (resi 3 and name HA ) (resi 3 and name HB# ) 3.00 1.20 0.50 ! residue 4 Gln , intraresidue NOEs assi (resi 4 and name HN ) (resi 4 and name HA ) 3.00 1.20 0.50 assi (resi 4 and name HN ) (resi 4 and name HB# ) 2.50 0.70 0.70 assi (resi 4 and name HN ) (resi 4 and name HG# ) 4.00 2.20 2.00 assi (resi 4 and name HA ) (resi 4 and name HB# ) 2.50 0.70 0.20 assi (resi 4 and name HA ) (resi 4 and name HG# ) 3.00 1.20 1.10 ! residue 5 Ile , intraresidue NOEs assi (resi 5 and name HN ) (resi 5 and name HA ) 3.00 1.20 0.50 assi (resi 5 and name HN ) (resi 5 and name HB ) 2.50 0.70 0.20 assi (resi 5 and name HN ) (resi 5 and name HG# ) 3.00 1.20 1.50 assi (resi 5 and name HN ) (resi 5 and name HG2#) 3.00 1.20 2.00 assi (resi 5 and name HN ) (resi 5 and name HD# ) 3.00 1.20 1.00 assi (resi 5 and name HA ) (resi 5 and name HB ) 3.00 1.20 0.50 assi (resi 5 and name HA ) (resi 5 and name HG# ) 3.00 1.20 1.10 assi (resi 5 and name HA ) (resi 5 and name HG2#) 3.00 1.20 1.60 assi (resi 5 and name HA ) (resi 5 and name HD# ) 3.00 1.20 2.00 assi (resi 5 and name HB ) (resi 5 and name HG# ) 2.50 0.70 0.20 assi (resi 5 and name HB ) (resi 5 and name HG2#) 2.50 0.70 0.70 assi (resi 5 and name HB ) (resi 5 and name HD# ) 2.50 0.70 0.70 assi (resi 5 and name HG# ) (resi 5 and name HG2#) 3.00 1.20 1.00 assi (resi 5 and name HG# ) (resi 5 and name HD# ) 2.50 0.70 0.70 ! residue 6 Pro , intraresidue NOEs assi (resi 6 and name HA ) (resi 6 and name HB# ) 2.50 0.70 0.20 assi (resi 6 and name HA ) (resi 6 and name HG# ) 4.00 2.20 1.60 assi (resi 6 and name HD# ) (resi 6 and name HG# ) 2.50 0.70 0.20 ! residue 7 Ala , intraresidue NOEs assi (resi 7 and name HN ) (resi 7 and name HA ) 2.50 0.70 0.20 assi (resi 7 and name HN ) (resi 7 and name HB# ) 2.50 0.70 1.30 assi (resi 7 and name HA ) (resi 7 and name HB# ) 2.50 0.70 0.70 ! residue 8 Cys , intraresidue NOEs assi (resi 8 and name HN ) (resi 8 and name HA ) 3.00 1.20 0.50 assi (resi 8 and name HN ) (resi 8 and name HB# ) 2.50 0.70 0.80 assi (resi 8 and name HA ) (resi 8 and name HB# ) 2.50 0.70 0.20 ! residue 9 Ile , intraresidue NOEs assi (resi 9 and name HN ) (resi 9 and name HA ) 2.50 0.70 0.20 assi (resi 9 and name HN ) (resi 9 and name HB ) 2.50 0.70 0.20 assi (resi 9 and name HN ) (resi 9 and name HG# ) 3.00 1.20 1.50 assi (resi 9 and name HN ) (resi 9 and name HG2#) 3.00 1.20 2.00 assi (resi 9 and name HA ) (resi 9 and name HB ) 2.50 0.70 0.20 assi (resi 9 and name HA ) (resi 9 and name HG# ) 3.00 1.20 1.10 assi (resi 9 and name HA ) (resi 9 and name HG2#) 2.50 0.70 1.30 assi (resi 9 and name HB ) (resi 9 and name HG# ) 2.50 0.70 0.20 assi (resi 9 and name HB ) (resi 9 and name HG2#) 2.50 0.70 0.70 ! residue 10 Met , intraresidue NOEs assi (resi 10 and name HN ) (resi 10 and name HA ) 2.50 0.70 0.20 assi (resi 10 and name HN ) (resi 10 and name HB# ) 3.00 1.20 1.10 assi (resi 10 and name HN ) (resi 10 and name HG# ) 3.00 1.20 1.50 assi (resi 10 and name HA ) (resi 10 and name HG# ) 3.00 1.20 1.10 assi (resi 10 and name HA ) (resi 10 and name HB# ) 2.50 0.70 0.20 ! residue 11 Asn , intraresidue NOEs assi (resi 11 and name HN ) (resi 11 and name HA ) 3.00 1.20 0.50 assi (resi 11 and name HN ) (resi 11 and name HB# ) 2.50 0.70 0.80 assi (resi 11 and name HN ) (resi 11 and name HD# ) 4.00 2.20 1.00 assi (resi 11 and name HA ) (resi 11 and name HB# ) 3.00 1.20 0.50 assi (resi 11 and name HD# ) (resi 11 and name HN ) 4.00 2.20 1.00 assi (resi 11 and name HD# ) (resi 11 and name HA ) 4.00 2.20 2.00 assi (resi 11 and name HD# ) (resi 11 and name HB# ) 3.00 1.20 0.50 ! residue 12 Asn , intraresidue NOEs assi (resi 12 and name HN ) (resi 12 and name HA ) 3.00 2.10 0.50 assi (resi 12 and name HN ) (resi 12 and name HB# ) 2.50 0.70 0.80 assi (resi 12 and name HN ) (resi 12 and name HD# ) 4.00 2.20 0.50 assi (resi 12 and name HD# ) (resi 12 and name HA ) 4.00 2.20 2.00 assi (resi 12 and name HA ) (resi 12 and name HB# ) 2.50 0.70 0.20 ! residue 13 Pro , intraresidue NOEs assi (resi 13 and name HA ) (resi 13 and name HD# ) 4.00 2.20 1.00 assi (resi 13 and name HA ) (resi 13 and name HB# ) 2.50 0.70 0.70 assi (resi 13 and name HA ) (resi 13 and name HG# ) 3.00 1.20 1.50 assi (resi 13 and name HD# ) (resi 13 and name HG# ) 2.50 0.70 0.20 ! residue 14 Asp , intraresidue NOEs assi (resi 14 and name HN ) (resi 14 and name HA ) 2.50 0.70 0.20 assi (resi 14 and name HN ) (resi 14 and name HB# ) 2.50 0.70 0.80 assi (resi 14 and name HA ) (resi 14 and name HB# ) 2.50 0.70 0.20 ! residue 15 Tyr , intraresidue NOEs assi (resi 15 and name HN ) (resi 15 and name HA ) 3.00 1.20 0.50 assi (resi 15 and name HN ) (resi 15 and name HB# ) 2.50 0.70 0.80 assi (resi 15 and name HN ) (resi 15 and name HD# ) 3.00 1.20 2.90 assi (resi 15 and name HA ) (resi 15 and name HB# ) 3.00 1.20 0.50 assi (resi 15 and name HD# ) (resi 15 and name HA ) 2.50 0.70 2.20 assi (resi 15 and name HD# ) (resi 15 and name HB# ) 2.50 0.70 0.20 assi (resi 15 and name HD# ) (resi 15 and name HE# ) 3.00 1.20 0.50 assi (resi 15 and name HE# ) (resi 15 and name HA ) 4.00 2.20 3.00 assi (resi 15 and name HE# ) (resi 15 and name HB# ) 4.00 2.20 1.00 assi (resi 15 and name HD# ) (resi 15 and name HN ) 3.00 1.20 2.90 assi (resi 15 and name HE# ) (resi 15 and name HN ) 4.00 2.20 3.40 ! residue 16 Cys , intraresidue NOEs assi (resi 16 and name HN ) (resi 16 and name HA ) 3.00 1.20 0.50 assi (resi 16 and name HN ) (resi 16 and name HB# ) 3.00 1.20 1.10 assi (resi 16 and name HA ) (resi 16 and name HB# ) 2.50 0.70 0.20 !residue 2 Cys , NOEs forward in sequence assi (resi 2 and name HA ) (resi 5 and name HB ) 3.00 1.20 0.50 assi (resi 2 and name HA ) (resi 5 and name HG# ) 4.00 2.20 2.00 assi (resi 2 and name HA ) (resi 5 and name HD# ) 3.00 1.20 2.00 assi (resi 2 and name HN ) (resi 3 and name HN ) 2.50 0.70 0.20 assi (resi 2 and name HN ) (resi 4 and name HN ) 4.00 2.20 1.00 assi (resi 2 and name HN ) (resi 15 and name HD# ) 4.00 2.20 3.40 assi (resi 2 and name HN ) (resi 15 and name HE# ) 4.00 2.20 3.40 assi (resi 2 and name HA ) (resi 8 and name HB# ) 3.00 1.20 0.50 ! residue 3 Cys , NOEs forward in sequence assi (resi 3 and name HN ) (resi 2 and name HA ) 3.00 1.20 0.50 assi (resi 3 and name HN ) (resi 2 and name HB# ) 3.00 1.20 1.50 assi (resi 3 and name HN ) (resi 4 and name HN ) 2.50 0.70 0.20 assi (resi 3 and name HN ) (resi 5 and name HN ) 4.00 2.20 1.00 assi (resi 3 and name HN ) (resi 9 and name HB ) 4.00 2.20 1.00 assi (resi 3 and name HN ) (resi 9 and name HG# ) 4.00 2.20 2.00 assi (resi 3 and name HN ) (resi 9 and name HG2#) 4.00 2.20 3.50 assi (resi 3 and name HA ) (resi 9 and name HB ) 3.00 1.20 0.50 assi (resi 3 and name HA ) (resi 9 and name HG# ) 3.00 1.20 1.50 assi (resi 3 and name HA ) (resi 9 and name HG2#) 3.00 1.20 2.00 assi (resi 3 and name HA ) (resi 9 and name HA ) 4.00 2.20 1.00 assi (resi 3 and name HA ) (resi 16 and name HB# ) 3.00 1.20 1.50 assi (resi 3 and name HN ) (resi 2 and name HN ) 2.50 0.70 0.20 assi (resi 3 and name HN ) (resi 4 and name HB# ) 4.00 2.20 3.00 !assi (resi 3 and name HN ) (resi 4 and name HG# ) 4.00 2.20 3.00 assi (resi 3 and name HN ) (resi 15 and name HE# ) 4.00 2.20 3.40 ! residue 4 Glu , NOEs forward in sequence assi (resi 4 and name HN ) (resi 2 and name HA ) 4.00 2.20 1.00 assi (resi 4 and name HN ) (resi 3 and name HN ) 2.50 0.70 0.20 assi (resi 4 and name HN ) (resi 3 and name HA ) 3.00 1.20 0.50 assi (resi 4 and name HN ) (resi 3 and name HB# ) 4.00 2.20 2.00 assi (resi 4 and name HN ) (resi 5 and name HN ) 2.50 0.70 0.20 assi (resi 4 and name HN ) (resi 5 and name HG# ) 4.00 2.20 2.00 assi (resi 4 and name HN ) (resi 5 and name HG2#) 4.00 2.20 2.50 assi (resi 4 and name HN ) (resi 5 and name HD# ) 4.00 2.20 1.50 assi (resi 4 and name HN ) (resi 9 and name HB ) 4.00 2.20 2.00 assi (resi 4 and name HN ) (resi 5 and name HA ) 4.00 2.20 2.00 ! residue 5 Ile , NOEs forward in sequence assi (resi 5 and name HN ) (resi 2 and name HA ) 4.00 2.20 1.00 assi (resi 5 and name HN ) (resi 3 and name HN ) 4.00 2.20 1.00 assi (resi 5 and name HN ) (resi 3 and name HA ) 3.00 1.20 0.50 assi (resi 5 and name HN ) (resi 4 and name HN ) 2.50 0.70 0.20 assi (resi 5 and name HN ) (resi 4 and name HA ) 3.00 1.20 0.50 assi (resi 5 and name HN ) (resi 4 and name HB# ) 3.00 1.20 1.50 assi (resi 5 and name HN ) (resi 6 and name HD# ) 4.00 2.20 2.00 assi (resi 5 and name HN ) (resi 6 and name HA ) 4.00 2.20 2.00 assi (resi 5 and name HA ) (resi 6 and name HD# ) 2.50 0.70 1.20 assi (resi 5 and name HA ) (resi 6 and name HB# ) 4.00 2.20 2.00 !assi (resi 5 and name HN ) (resi 7 and name HB# ) 4.00 2.20 3.00 assi (resi 5 and name HN ) (resi 8 and name HB# ) 4.00 2.20 2.00 assi (resi 5 and name HN ) (resi 8 and name HN ) 4.00 2.20 1.00 assi (resi 5 and name HN ) (resi 9 and name HB ) 3.00 1.20 0.50 ! residue 6 Pro , NOEs forward in sequence assi (resi 6 and name HA ) (resi 9 and name HB ) 2.50 0.70 0.20 assi (resi 6 and name HA ) (resi 9 and name HG# ) 2.50 0.70 1.20 assi (resi 6 and name HA ) (resi 9 and name HG2#) 3.00 1.20 1.50 assi (resi 6 and name HD# ) (resi 5 and name HG# ) 4.00 2.20 4.00 assi (resi 6 and name HD# ) (resi 5 and name HG2#) 3.00 1.20 3.00 ! residue 7 Ala , NOEs forward in sequence assi (resi 7 and name HN ) (resi 5 and name HA ) 4.00 2.20 1.00 assi (resi 7 and name HN ) (resi 5 and name HG2#) 2.50 0.70 1.70 assi (resi 7 and name HB# ) (resi 5 and name HG2#) 3.00 1.20 3.50 assi (resi 7 and name HN ) (resi 6 and name HA ) 3.00 1.20 0.50 assi (resi 7 and name HN ) (resi 6 and name HB# ) 2.50 0.70 1.20 assi (resi 7 and name HN ) (resi 6 and name HD# ) 3.00 1.20 0.50 assi (resi 7 and name HN ) (resi 6 and name HG# ) 3.00 1.20 1.50 assi (resi 7 and name HN ) (resi 8 and name HN ) 2.50 0.70 0.20 assi (resi 7 and name HN ) (resi 8 and name HA ) 4.00 2.20 2.00 assi (resi 7 and name HN ) (resi 8 and name HB# ) 4.00 2.20 3.00 assi (resi 7 and name HN ) (resi 9 and name HN ) 4.00 2.20 1.00 assi (resi 7 and name HN ) (resi 9 and name HB ) 4.00 2.20 2.00 assi (resi 7 and name HN ) (resi 5 and name HB ) 4.00 2.20 2.00 !assi (resi 7 and name HA ) (resi 10 and name HB# ) 3.00 1.20 1.50 ! residue 8 Cys , NOEs forward in sequence assi (resi 8 and name HN ) (resi 5 and name HB ) 3.00 1.20 0.50 assi (resi 8 and name HN ) (resi 5 and name HG2#) 2.50 0.70 1.70 assi (resi 8 and name HB# ) (resi 5 and name HB ) 2.50 0.70 1.20 assi (resi 8 and name HB# ) (resi 5 and name HG2#) 3.00 1.20 3.00 assi (resi 8 and name HB# ) (resi 5 and name HG# ) 4.00 2.20 4.00 assi (resi 8 and name HB# ) (resi 5 and name HD# ) 3.00 1.20 2.50 assi (resi 8 and name HN ) (resi 7 and name HN ) 2.50 0.70 0.20 assi (resi 8 and name HN ) (resi 7 and name HB# ) 3.00 1.20 2.00 assi (resi 8 and name HB# ) (resi 7 and name HB# ) 3.00 1.20 3.00 assi (resi 8 and name HA ) (resi 9 and name HA ) 4.00 2.20 1.00 assi (resi 8 and name HA ) (resi 11 and name HB# ) 3.00 1.20 1.50 assi (resi 8 and name HB# ) (resi 11 and name HB# ) 4.00 2.20 3.00 assi (resi 8 and name HN ) (resi 9 and name HN ) 2.50 0.70 0.20 assi (resi 8 and name HN ) (resi 6 and name HA ) 4.00 2.20 1.00 assi (resi 8 and name HN ) (resi 7 and name HA ) 3.00 1.20 0.50 assi (resi 8 and name HN ) (resi 9 and name HB ) 4.00 2.20 1.00 assi (resi 8 and name HN ) (resi 10 and name HB# ) 4.00 2.20 2.00 assi (resi 8 and name HN ) (resi 9 and name HG2#) 4.00 2.20 2.50 assi (resi 8 and name HN ) (resi 5 and name HD# ) 4.00 2.20 2.00 ! residue 9 Ile , NOEs forward in sequence assi (resi 9 and name HN ) (resi 3 and name HA ) 4.00 2.20 1.00 assi (resi 9 and name HN ) (resi 5 and name HB ) 4.00 2.20 1.00 assi (resi 9 and name HN ) (resi 6 and name HA ) 3.00 1.20 0.50 assi (resi 9 and name HN ) (resi 7 and name HA ) 4.00 2.20 1.00 assi (resi 9 and name HN ) (resi 7 and name HB# ) 4.00 2.20 2.50 assi (resi 9 and name HN ) (resi 8 and name HA ) 3.00 1.20 0.50 assi (resi 9 and name HN ) (resi 8 and name HB# ) 2.50 0.70 1.20 assi (resi 9 and name HN ) (resi 10 and name HN ) 2.50 0.70 0.20 assi (resi 9 and name HN ) (resi 10 and name HB# ) 4.00 2.20 2.00 assi (resi 9 and name HN ) (resi 11 and name HN ) 4.00 2.20 1.00 assi (resi 9 and name HA ) (resi 12 and name HB# ) 4.00 2.20 2.00 assi (resi 9 and name HA ) (resi 16 and name HB# ) 4.00 2.20 2.00 assi (resi 9 and name HN ) (resi 10 and name HG# ) 4.00 2.20 3.00 assi (resi 9 and name HN ) (resi 8 and name HN ) 2.50 0.70 0.20 assi (resi 9 and name HN ) (resi 6 and name HB# ) 4.00 2.20 3.00 assi (resi 9 and name HN ) (resi 12 and name HN ) 4.00 2.20 1.00 assi (resi 9 and name HN ) (resi 7 and name HN ) 4.00 2.20 2.00 ! residue 10 Met , NOEs forward in sequence assi (resi 10 and name HN ) (resi 6 and name HA ) 3.00 1.20 0.50 assi (resi 10 and name HN ) (resi 9 and name HA ) 3.00 1.20 0.50 assi (resi 10 and name HN ) (resi 9 and name HB ) 3.00 1.20 0.50 assi (resi 10 and name HN ) (resi 9 and name HG# ) 3.00 1.20 1.50 assi (resi 10 and name HN ) (resi 9 and name HG2#) 2.50 0.70 1.70 assi (resi 10 and name HA ) (resi 9 and name HA ) 4.00 2.20 1.00 assi (resi 10 and name HA ) (resi 13 and name HD# ) 4.00 2.20 2.00 assi (resi 10 and name HA ) (resi 6 and name HB# ) 4.00 2.20 3.00 !assi (resi 10 and name HN ) (resi 7 and name HA ) 4.00 2.20 1.00 assi (resi 10 and name HN ) (resi 8 and name HA ) 4.00 2.20 1.00 assi (resi 10 and name HN ) (resi 11 and name HN ) 2.50 0.70 0.20 assi (resi 10 and name HN ) (resi 7 and name HB# ) 4.00 2.20 2.00 ! residue 11 Asn , NOEs forward in sequence assi (resi 11 and name HN ) (resi 7 and name HB# ) 4.00 2.20 3.50 assi (resi 11 and name HD# ) (resi 7 and name HA ) 4.00 2.20 3.00 assi (resi 11 and name HD# ) (resi 7 and name HB# ) 4.00 2.20 4.50 assi (resi 11 and name HN ) (resi 8 and name HA ) 3.00 1.20 0.50 assi (resi 11 and name HD# ) (resi 8 and name HA ) 4.00 2.20 2.00 assi (resi 11 and name HN ) (resi 9 and name HN ) 4.00 2.20 1.00 assi (resi 11 and name HN ) (resi 9 and name HA ) 4.00 2.20 1.00 !assi (resi 11 and name HN ) (resi 9 and name HG2#) 4.00 2.20 2.50 assi (resi 11 and name HN ) (resi 10 and name HA ) 3.00 1.20 0.50 assi (resi 11 and name HN ) (resi 10 and name HG# ) 4.00 2.20 2.00 assi (resi 11 and name HN ) (resi 10 and name HB# ) 3.00 1.20 1.50 assi (resi 11 and name HD# ) (resi 10 and name HB# ) 4.00 2.20 3.00 assi (resi 11 and name HN ) (resi 12 and name HN ) 2.50 0.70 0.20 assi (resi 11 and name HN ) (resi 13 and name HD# ) 4.00 2.20 333.00 assi (resi 11 and name HA ) (resi 13 and name HD# ) 4.00 2.20 2.00 ! residue 12 Asn , NOEs forward in sequence assi (resi 12 and name HD# ) (resi 8 and name HA ) 3.00 1.20 1.50 assi (resi 12 and name HN ) (resi 9 and name HA ) 3.00 1.20 0.50 assi (resi 12 and name HN ) (resi 11 and name HN ) 2.50 0.70 0.20 assi (resi 12 and name HN ) (resi 11 and name HA ) 3.00 1.20 0.50 assi (resi 12 and name HN ) (resi 11 and name HB# ) 4.00 2.20 2.00 assi (resi 12 and name HD# ) (resi 11 and name HB# ) 3.00 1.20 2.50 assi (resi 12 and name HN ) (resi 13 and name HD# ) 3.00 1.20 1.50 assi (resi 12 and name HA ) (resi 13 and name HD# ) 2.50 0.70 0.20 assi (resi 12 and name HN ) (resi 13 and name HA ) 4.00 2.20 1.00 assi (resi 12 and name HN ) (resi 10 and name HA ) 4.00 2.20 1.00 assi (resi 12 and name HN ) (resi 13 and name HB# ) 4.00 2.20 3.00 assi (resi 12 and name HN ) (resi 8 and name HA ) 4.00 2.20 1.00 assi (resi 12 and name HN ) (resi 10 and name HB# ) 4.00 2.20 1.00 assi (resi 12 and name HN ) (resi 8 and name HB# ) 4.00 2.20 2.00 assi (resi 12 and name HN ) (resi 9 and name HN ) 4.00 2.20 1.00 assi (resi 12 and name HN ) (resi 9 and name HB# ) 4.00 2.20 2.00 assi (resi 12 and name HN ) (resi 7 and name HB# ) 4.00 2.20 3.00 assi (resi 12 and name HN ) (resi 9 and name HG2#) 4.00 2.20 3.00 ! residue 13 Pro , NOEs forward in sequence assi (resi 13 and name HA ) (resi 9 and name HA ) 4.00 2.20 1.00 assi (resi 13 and name HA ) (resi 16 and name HB# ) 4.00 2.20 2.OO assi (resi 13 and name HD# ) (resi 12 and name HB# ) 4.00 2.20 2.00 assi (resi 13 and name HA ) (resi 9 and name HG2#) 4.00 2.20 2.50 ! residue 14 Asp , NOEs forward in sequence assi (resi 14 and name HN ) (resi 12 and name HA ) 3.00 1.20 0.50 assi (resi 14 and name HN ) (resi 13 and name HD# ) 3.00 1.20 1.50 assi (resi 14 and name HN ) (resi 13 and name HB# ) 3.00 1.20 1.50 assi (resi 14 and name HN ) (resi 13 and name HG# ) 3.00 1.20 1.50 assi (resi 14 and name HN ) (resi 15 and name HN ) 2.50 0.70 0.20 assi (resi 14 and name HN ) (resi 13 and name HA ) 3.00 1.20 0.50 assi (resi 14 and name HN ) (resi 15 and name HB# ) 4.00 2.20 2.00 assi (resi 14 and name HN ) (resi 16 and name HN ) 4.00 2.20 1.00 ! residue 15 Tyr , NOEs forward in sequence assi (resi 15 and name HB# ) (resi 12 and name HB# ) 3.00 1.20 2.50 assi (resi 15 and name HD# ) (resi 12 and name HB# ) 3.00 1.20 3.90 assi (resi 15 and name HN ) (resi 13 and name HD# ) 4.00 2.20 3.00 assi (resi 15 and name HN ) (resi 13 and name HB# ) 4.00 2.20 2.00 assi (resi 15 and name HN ) (resi 14 and name HN ) 2.50 0.70 0.20 assi (resi 15 and name HN ) (resi 14 and name HB# ) 4.00 2.20 2.00 assi (resi 15 and name HD# ) (resi 16 and name HA ) 3.00 1.20 2.90 assi (resi 15 and name HN ) (resi 12 and name HA ) 4.00 2.20 1.00 assi (resi 15 and name HN ) (resi 16 and name HA ) 4.00 2.20 2.00 assi (resi 15 and name HN ) (resi 16 and name HB# ) 4.00 2.20 3.00 assi (resi 15 and name HN ) (resi 12 and name HB# ) 3.00 1.20 1.50 assi (resi 15 and name HN ) (resi 14 and name HA ) 3.00 1.20 0.50 assi (resi 15 and name HN ) (resi 16 and name HN ) 2.50 0.70 0.20 !assi (resi 15 and name HN ) (resi 13 and name HA ) 4.00 2.20 1.00 ! residue 16 Cys , NOEs forward in sequence assi (resi 16 and name HN ) (resi 9 and name HB ) 4.00 2.20 2.00 assi (resi 16 and name HN ) (resi 9 and name HG# ) 4.00 2.20 3.00 assi (resi 16 and name HN ) (resi 9 and name HG2#) 4.00 2.20 3.50 assi (resi 16 and name HB# ) (resi 9 and name HB ) 3.00 1.20 1.50 assi (resi 16 and name HB# ) (resi 9 and name HG2#) 3.00 1.20 2.00 assi (resi 16 and name HB# ) (resi 9 and name HG# ) 3.00 1.20 2.50 assi (resi 16 and name HN ) (resi 14 and name HA ) 4.00 2.20 1.00 assi (resi 16 and name HN ) (resi 15 and name HA ) 3.00 1.20 0.50 assi (resi 16 and name HN ) (resi 15 and name HB# ) 3.00 1.20 1.50 assi (resi 16 and name HN ) (resi 15 and name HD# ) 4.00 2.20 3.40 !assi (resi 16 and name HN ) (resi 3 and name HB# ) 4.00 2.20 2.00 assi (resi 16 and name HN ) (resi 12 and name HB# ) 4.00 2.20 2.00 assi (resi 16 and name HB# ) (resi 9 and name HA ) 4.00 2.20 2.00 assi (resi 16 and name HN ) (resi 15 and name HN ) 2.50 0.70 0.20 assi (resi 16 and name HN ) (resi 14 and name HN ) 4.00 2.20 1.00 ! disulfide bond set message=off echo=off end assign (resid 2 and name sg ) (resid 8 and name sg ) 2.02 0.02 0.02 assign (resid 2 and name cb ) (resid 8 and name sg ) 2.99 0.50 0.50 assign (resid 2 and name sg ) (resid 8 and name cb ) 2.99 0.50 0.50 assign (resid 3 and name sg ) (resid 16 and name sg ) 2.02 0.02 0.02 assign (resid 3 and name cb ) (resid 16 and name sg ) 2.99 0.50 0.50 assign (resid 3 and name sg ) (resid 16 and name cb ) 2.99 0.50 0.50 !Dihedral angle assign (resid 3 and name c ) (resid 4 and name n ) (resid 4 and name ca ) (resid 4 and name c ) 1 -120.0 40.0 2 assign (resid 4 and name c ) (resid 5 and name n ) (resid 5 and name ca ) (resid 5 and name c ) 1 -120.0 40.0 2 assign (resid 7 and name c ) (resid 8 and name n ) (resid 8 and name ca ) (resid 8 and name c ) 1 -120.0 40.0 2 assign (resid 10 and name c ) (resid 11 and name n ) (resid 11 and name ca ) (resid 11 and name c ) 1 -120.0 40.0 2 assign (resid 11 and name c ) (resid 12 and name n ) (resid 12 and name ca ) (resid 12 and name c ) 1 -120.0 40.0 2 assign (resid 15 and name c ) (resid 16 and name n ) (resid 16 and name ca ) (resid 16 and name c ) 1 -120.0 40.0 2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -4.197 4.514 -3.229 2 H2 GLY 1 2HT GLY 1 -4.510 2.939 -3.786 3 H3 GLY 1 3HT GLY 1 -2.911 3.501 -3.675 4 HA2 GLY 1 2HA GLY 1 -2.963 3.517 -1.323 5 HA3 GLY 1 1HA GLY 1 -4.701 3.218 -1.330 6 H CYS 2 H CYS 2 -3.146 1.471 0.088 7 HA CYS 2 HA CYS 2 -3.570 -1.045 -1.400 8 HB2 CYS 2 2HB CYS 2 -0.924 0.177 -0.741 9 HB3 CYS 2 1HB CYS 2 -1.076 -1.573 -0.580 10 H CYS 3 H CYS 3 -2.463 0.558 1.567 11 HA CYS 3 HA CYS 3 -2.426 -1.602 3.348 12 HB2 CYS 3 2HB CYS 3 -3.017 1.329 3.491 13 HB3 CYS 3 1HB CYS 3 -3.318 0.350 4.929 14 H GLU 4 H GLU 4 -5.133 0.155 1.975 15 HA GLU 4 HA GLU 4 -7.124 -1.192 3.686 16 HB2 GLU 4 2HB GLU 4 -7.345 0.584 1.229 17 HB3 GLU 4 1HB GLU 4 -8.681 0.149 2.297 18 HG2 GLU 4 2HG GLU 4 -7.392 1.186 4.199 19 HG3 GLU 4 1HG GLU 4 -6.224 1.771 3.015 20 H ILE 5 H ILE 5 -5.214 -2.267 1.292 21 HA ILE 5 HA ILE 5 -7.281 -4.161 0.251 22 HB ILE 5 HB ILE 5 -5.148 -2.616 -1.262 23 HG12 ILE 5 2HG1 ILE 5 -7.897 -2.463 -2.221 24 HG13 ILE 5 1HG1 ILE 5 -7.765 -1.914 -0.549 25 HG21 ILE 5 1HG2 ILE 5 -5.436 -4.958 -2.065 26 HG22 ILE 5 2HG2 ILE 5 -5.960 -3.765 -3.253 27 HG23 ILE 5 3HG2 ILE 5 -7.154 -4.640 -2.295 28 HD11 ILE 5 3HD1 ILE 5 -6.927 0.034 -1.298 29 HD12 ILE 5 1HD1 ILE 5 -6.926 -0.568 -2.956 30 HD13 ILE 5 2HD1 ILE 5 -5.528 -0.845 -1.917 31 HA PRO 6 HA PRO 6 -3.978 -6.771 1.767 32 HB2 PRO 6 2HB PRO 6 -5.275 -9.143 1.296 33 HB3 PRO 6 1HB PRO 6 -5.612 -8.120 2.707 34 HG2 PRO 6 2HG PRO 6 -7.111 -8.359 0.143 35 HG3 PRO 6 1HG PRO 6 -7.724 -8.209 1.798 36 HD2 PRO 6 2HD PRO 6 -7.643 -6.125 0.065 37 HD3 PRO 6 1HD PRO 6 -7.476 -5.923 1.825 38 H ALA 7 H ALA 7 -5.722 -7.279 -1.286 39 HA ALA 7 HA ALA 7 -4.018 -9.029 -2.632 40 HB1 ALA 7 1HB ALA 7 -5.627 -8.484 -4.128 41 HB2 ALA 7 2HB ALA 7 -4.745 -6.990 -4.448 42 HB3 ALA 7 3HB ALA 7 -6.016 -7.018 -3.226 43 H CYS 8 H CYS 8 -3.533 -5.705 -1.707 44 HA CYS 8 HA CYS 8 -0.966 -5.599 -3.236 45 HB2 CYS 8 2HB CYS 8 -2.724 -3.835 -3.555 46 HB3 CYS 8 1HB CYS 8 -2.555 -3.417 -1.851 47 H ILE 9 H ILE 9 -2.363 -5.263 0.004 48 HA ILE 9 HA ILE 9 0.171 -4.612 1.221 49 HB ILE 9 HB ILE 9 -2.525 -4.440 1.848 50 HG12 ILE 9 2HG1 ILE 9 -0.762 -2.895 2.560 51 HG13 ILE 9 1HG1 ILE 9 -1.711 -3.417 3.951 52 HG21 ILE 9 1HG2 ILE 9 -2.937 -5.696 3.830 53 HG22 ILE 9 2HG2 ILE 9 -1.255 -6.218 3.934 54 HG23 ILE 9 3HG2 ILE 9 -2.299 -6.856 2.664 55 HD11 ILE 9 3HD1 ILE 9 1.075 -4.223 3.161 56 HD12 ILE 9 1HD1 ILE 9 0.089 -5.311 4.137 57 HD13 ILE 9 2HD1 ILE 9 0.476 -3.698 4.734 58 H MET 10 H MET 10 -1.765 -7.532 0.802 59 HA MET 10 HA MET 10 0.017 -9.194 2.374 60 HB2 MET 10 2HB MET 10 -2.581 -9.288 1.186 61 HB3 MET 10 1HB MET 10 -1.667 -10.690 0.630 62 HG2 MET 10 2HG MET 10 -1.055 -10.484 3.356 63 HG3 MET 10 1HG MET 10 -2.784 -10.153 3.262 64 HE1 MET 10 3HE MET 10 -3.123 -12.077 4.740 65 HE2 MET 10 1HE MET 10 -1.518 -12.821 4.750 66 HE3 MET 10 2HE MET 10 -2.936 -13.783 4.341 67 H ASN 11 H ASN 11 -0.318 -8.262 -0.988 68 HA ASN 11 HA ASN 11 1.766 -10.269 -1.757 69 HB2 ASN 11 2HB ASN 11 -0.076 -8.626 -3.517 70 HB3 ASN 11 1HB ASN 11 0.842 -10.061 -3.975 71 HD21 ASN 11 1HD2 ASN 11 -1.821 -9.005 -1.795 72 HD22 ASN 11 2HD2 ASN 11 -2.588 -10.518 -1.755 73 H ASN 12 H ASN 12 1.091 -6.861 -1.418 74 HA ASN 12 HA ASN 12 3.825 -6.287 -2.521 75 HB2 ASN 12 2HB ASN 12 1.401 -4.493 -2.818 76 HB3 ASN 12 1HB ASN 12 2.943 -4.370 -3.661 77 HD21 ASN 12 1HD2 ASN 12 3.461 -6.783 -4.717 78 HD22 ASN 12 2HD2 ASN 12 2.185 -7.359 -5.677 79 HA PRO 13 HA PRO 13 3.346 -4.654 1.757 80 HB2 PRO 13 2HB PRO 13 5.765 -5.573 2.644 81 HB3 PRO 13 1HB PRO 13 4.287 -6.554 2.678 82 HG2 PRO 13 2HG PRO 13 6.564 -6.630 0.772 83 HG3 PRO 13 1HG PRO 13 5.574 -7.952 1.405 84 HD2 PRO 13 2HD PRO 13 5.277 -6.853 -1.094 85 HD3 PRO 13 1HD PRO 13 3.990 -7.704 -0.214 86 H ASP 14 H ASP 14 5.647 -4.338 -0.805 87 HA ASP 14 HA ASP 14 7.521 -2.521 0.232 88 HB2 ASP 14 2HB ASP 14 6.811 -3.645 -2.213 89 HB3 ASP 14 1HB ASP 14 6.605 -1.913 -2.475 90 H TYR 15 H TYR 15 4.145 -2.117 -0.366 91 HA TYR 15 HA TYR 15 4.346 0.854 -0.338 92 HB2 TYR 15 2HB TYR 15 2.946 -0.482 -1.988 93 HB3 TYR 15 1HB TYR 15 1.918 -0.937 -0.628 94 HD1 TYR 15 2HD TYR 15 1.267 1.178 0.940 95 HD2 TYR 15 1HD TYR 15 2.272 1.359 -3.233 96 HE1 TYR 15 2HE TYR 15 0.052 3.330 0.740 97 HE2 TYR 15 1HE TYR 15 1.057 3.511 -3.432 98 HH TYR 15 HH TYR 15 -0.684 4.901 -0.653 99 H CYS 16 H CYS 16 2.911 -1.847 1.474 100 HA CYS 16 HA CYS 16 2.354 0.053 3.729 101 HB2 CYS 16 2HB CYS 16 1.027 -2.433 2.658 102 HB3 CYS 16 1HB CYS 16 0.722 -1.900 4.312 103 HN1 NH2 17 HN1 NH2 17 3.595 -3.227 2.930 104 HN2 NH2 17 HN2 NH2 17 4.418 -3.454 4.398 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -6.388 3.187 -2.445 2 H2 GLY 1 2HT GLY 1 -5.786 2.618 -0.962 3 H3 GLY 1 3HT GLY 1 -6.597 1.560 -2.015 4 HA2 GLY 1 2HA GLY 1 -4.748 2.185 -3.682 5 HA3 GLY 1 1HA GLY 1 -3.882 2.672 -2.225 6 H CYS 2 H CYS 2 -3.279 1.059 -0.702 7 HA CYS 2 HA CYS 2 -3.813 -1.770 -1.511 8 HB2 CYS 2 2HB CYS 2 -1.175 -0.409 -0.903 9 HB3 CYS 2 1HB CYS 2 -1.359 -2.161 -0.999 10 H CYS 3 H CYS 3 -2.483 0.363 1.015 11 HA CYS 3 HA CYS 3 -2.428 -1.398 3.180 12 HB2 CYS 3 2HB CYS 3 -2.692 1.507 2.697 13 HB3 CYS 3 1HB CYS 3 -3.257 0.974 4.280 14 H GLU 4 H GLU 4 -5.144 0.183 1.633 15 HA GLU 4 HA GLU 4 -7.060 -0.678 3.712 16 HB2 GLU 4 2HB GLU 4 -7.016 1.469 2.195 17 HB3 GLU 4 1HB GLU 4 -7.733 0.407 0.981 18 HG2 GLU 4 2HG GLU 4 -9.372 -0.251 2.923 19 HG3 GLU 4 1HG GLU 4 -8.858 1.283 3.625 20 H ILE 5 H ILE 5 -5.395 -2.313 1.447 21 HA ILE 5 HA ILE 5 -7.587 -4.295 1.040 22 HB ILE 5 HB ILE 5 -5.832 -2.975 -1.055 23 HG12 ILE 5 2HG1 ILE 5 -8.542 -3.089 -1.824 24 HG13 ILE 5 1HG1 ILE 5 -8.550 -2.611 -0.127 25 HG21 ILE 5 1HG2 ILE 5 -7.392 -4.580 -2.516 26 HG22 ILE 5 2HG2 ILE 5 -7.300 -5.568 -1.058 27 HG23 ILE 5 3HG2 ILE 5 -5.825 -5.109 -1.907 28 HD11 ILE 5 3HD1 ILE 5 -8.334 -0.740 -1.897 29 HD12 ILE 5 1HD1 ILE 5 -6.679 -1.316 -2.099 30 HD13 ILE 5 2HD1 ILE 5 -7.217 -0.709 -0.532 31 HA PRO 6 HA PRO 6 -4.087 -6.697 2.366 32 HB2 PRO 6 2HB PRO 6 -5.321 -9.142 2.234 33 HB3 PRO 6 1HB PRO 6 -5.579 -7.994 3.564 34 HG2 PRO 6 2HG PRO 6 -7.280 -8.536 1.179 35 HG3 PRO 6 1HG PRO 6 -7.755 -8.237 2.859 36 HD2 PRO 6 2HD PRO 6 -7.900 -6.337 0.926 37 HD3 PRO 6 1HD PRO 6 -7.600 -5.956 2.638 38 H ALA 7 H ALA 7 -5.951 -7.313 -0.563 39 HA ALA 7 HA ALA 7 -4.339 -9.261 -1.803 40 HB1 ALA 7 1HB ALA 7 -6.318 -8.787 -2.911 41 HB2 ALA 7 2HB ALA 7 -5.190 -7.851 -3.893 42 HB3 ALA 7 3HB ALA 7 -6.155 -7.050 -2.654 43 H CYS 8 H CYS 8 -4.083 -5.729 -1.802 44 HA CYS 8 HA CYS 8 -1.597 -5.801 -3.381 45 HB2 CYS 8 2HB CYS 8 -3.477 -4.050 -3.467 46 HB3 CYS 8 1HB CYS 8 -2.854 -3.463 -1.925 47 H ILE 9 H ILE 9 -2.595 -5.200 -0.033 48 HA ILE 9 HA ILE 9 -0.005 -4.441 0.890 49 HB ILE 9 HB ILE 9 -2.588 -4.454 1.827 50 HG12 ILE 9 2HG1 ILE 9 0.039 -4.075 3.278 51 HG13 ILE 9 1HG1 ILE 9 -0.986 -2.836 2.552 52 HG21 ILE 9 1HG2 ILE 9 -2.219 -6.912 2.431 53 HG22 ILE 9 2HG2 ILE 9 -2.780 -5.868 3.737 54 HG23 ILE 9 3HG2 ILE 9 -1.082 -6.338 3.651 55 HD11 ILE 9 3HD1 ILE 9 -1.661 -4.547 4.964 56 HD12 ILE 9 1HD1 ILE 9 -2.781 -3.423 4.194 57 HD13 ILE 9 2HD1 ILE 9 -1.315 -2.817 4.967 58 H MET 10 H MET 10 -1.676 -7.542 0.645 59 HA MET 10 HA MET 10 0.347 -9.057 2.022 60 HB2 MET 10 2HB MET 10 -1.912 -9.751 0.136 61 HB3 MET 10 1HB MET 10 -0.944 -10.963 0.972 62 HG2 MET 10 2HG MET 10 -2.029 -8.810 2.691 63 HG3 MET 10 1HG MET 10 -3.229 -9.905 2.001 64 HE1 MET 10 3HE MET 10 -0.653 -10.266 5.472 65 HE2 MET 10 1HE MET 10 -0.740 -9.006 4.234 66 HE3 MET 10 2HE MET 10 0.453 -10.294 4.100 67 H ASN 11 H ASN 11 -0.433 -8.485 -1.405 68 HA ASN 11 HA ASN 11 1.895 -10.046 -2.305 69 HB2 ASN 11 2HB ASN 11 -0.560 -8.937 -3.370 70 HB3 ASN 11 1HB ASN 11 0.800 -8.525 -4.412 71 HD21 ASN 11 1HD2 ASN 11 -0.654 -10.179 -5.785 72 HD22 ASN 11 2HD2 ASN 11 -0.175 -11.804 -5.675 73 H ASN 12 H ASN 12 1.009 -6.657 -1.814 74 HA ASN 12 HA ASN 12 3.799 -5.923 -2.674 75 HB2 ASN 12 2HB ASN 12 1.171 -4.431 -2.963 76 HB3 ASN 12 1HB ASN 12 2.746 -3.734 -3.340 77 HD21 ASN 12 1HD2 ASN 12 0.583 -4.237 -5.289 78 HD22 ASN 12 2HD2 ASN 12 1.198 -5.344 -6.418 79 HA PRO 13 HA PRO 13 2.954 -4.766 1.771 80 HB2 PRO 13 2HB PRO 13 5.062 -6.153 2.836 81 HB3 PRO 13 1HB PRO 13 3.452 -6.866 2.608 82 HG2 PRO 13 2HG PRO 13 5.905 -7.160 0.951 83 HG3 PRO 13 1HG PRO 13 4.674 -8.362 1.371 84 HD2 PRO 13 2HD PRO 13 4.789 -7.100 -1.047 85 HD3 PRO 13 1HD PRO 13 3.287 -7.728 -0.335 86 H ASP 14 H ASP 14 5.644 -4.734 -0.430 87 HA ASP 14 HA ASP 14 7.635 -3.328 0.925 88 HB2 ASP 14 2HB ASP 14 6.570 -3.274 -1.901 89 HB3 ASP 14 1HB ASP 14 7.976 -2.312 -1.441 90 H TYR 15 H TYR 15 4.482 -2.283 -0.086 91 HA TYR 15 HA TYR 15 5.104 0.584 0.373 92 HB2 TYR 15 2HB TYR 15 3.502 -0.784 -1.384 93 HB3 TYR 15 1HB TYR 15 2.335 -0.303 -0.151 94 HD1 TYR 15 2HD TYR 15 3.179 2.251 0.800 95 HD2 TYR 15 1HD TYR 15 3.403 0.689 -3.194 96 HE1 TYR 15 2HE TYR 15 3.172 4.561 -0.103 97 HE2 TYR 15 1HE TYR 15 3.396 2.998 -4.098 98 HH TYR 15 HH TYR 15 2.514 5.312 -3.228 99 H CYS 16 H CYS 16 2.889 -1.925 1.606 100 HA CYS 16 HA CYS 16 2.398 -0.242 4.027 101 HB2 CYS 16 2HB CYS 16 0.971 -2.560 2.699 102 HB3 CYS 16 1HB CYS 16 0.487 -1.919 4.270 103 HN1 NH2 17 HN1 NH2 17 3.987 -0.813 5.587 104 HN2 NH2 17 HN2 NH2 17 4.369 -2.408 6.022 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -6.000 4.390 -0.134 2 H2 GLY 1 2HT GLY 1 -5.106 4.196 1.298 3 H3 GLY 1 3HT GLY 1 -6.084 2.929 0.724 4 HA2 GLY 1 2HA GLY 1 -4.388 3.533 -1.363 5 HA3 GLY 1 1HA GLY 1 -3.388 3.535 0.092 6 H CYS 2 H CYS 2 -2.439 1.544 -0.884 7 HA CYS 2 HA CYS 2 -3.948 -0.858 -1.297 8 HB2 CYS 2 2HB CYS 2 -1.094 -0.071 -0.815 9 HB3 CYS 2 1HB CYS 2 -1.514 -1.783 -0.768 10 H CYS 3 H CYS 3 -2.731 0.692 1.595 11 HA CYS 3 HA CYS 3 -2.567 -1.454 3.394 12 HB2 CYS 3 2HB CYS 3 -3.112 1.468 3.476 13 HB3 CYS 3 1HB CYS 3 -3.521 0.559 4.931 14 H GLU 4 H GLU 4 -5.361 0.092 1.976 15 HA GLU 4 HA GLU 4 -7.249 -1.179 3.864 16 HB2 GLU 4 2HB GLU 4 -7.191 1.071 2.184 17 HB3 GLU 4 1HB GLU 4 -8.359 -0.018 1.436 18 HG2 GLU 4 2HG GLU 4 -9.020 -0.238 4.091 19 HG3 GLU 4 1HG GLU 4 -8.532 1.454 3.982 20 H ILE 5 H ILE 5 -5.399 -2.357 1.467 21 HA ILE 5 HA ILE 5 -7.427 -4.411 0.693 22 HB ILE 5 HB ILE 5 -5.541 -2.852 -1.109 23 HG12 ILE 5 2HG1 ILE 5 -8.294 -2.840 -1.921 24 HG13 ILE 5 1HG1 ILE 5 -8.208 -2.362 -0.225 25 HG21 ILE 5 1HG2 ILE 5 -7.400 -5.177 -1.669 26 HG22 ILE 5 2HG2 ILE 5 -5.651 -5.132 -1.892 27 HG23 ILE 5 3HG2 ILE 5 -6.698 -4.161 -2.928 28 HD11 ILE 5 3HD1 ILE 5 -7.230 -0.385 -0.726 29 HD12 ILE 5 1HD1 ILE 5 -7.721 -0.701 -2.391 30 HD13 ILE 5 2HD1 ILE 5 -6.101 -1.141 -1.851 31 HA PRO 6 HA PRO 6 -3.859 -6.743 2.007 32 HB2 PRO 6 2HB PRO 6 -4.999 -9.218 1.714 33 HB3 PRO 6 1HB PRO 6 -5.323 -8.162 3.103 34 HG2 PRO 6 2HG PRO 6 -6.966 -8.645 0.669 35 HG3 PRO 6 1HG PRO 6 -7.476 -8.428 2.351 36 HD2 PRO 6 2HD PRO 6 -7.636 -6.462 0.469 37 HD3 PRO 6 1HD PRO 6 -7.437 -6.142 2.206 38 H ALA 7 H ALA 7 -5.729 -7.456 -0.922 39 HA ALA 7 HA ALA 7 -3.979 -9.164 -2.284 40 HB1 ALA 7 1HB ALA 7 -5.899 -6.986 -3.047 41 HB2 ALA 7 2HB ALA 7 -6.031 -8.725 -3.315 42 HB3 ALA 7 3HB ALA 7 -4.936 -7.761 -4.306 43 H CYS 8 H CYS 8 -3.709 -5.756 -1.580 44 HA CYS 8 HA CYS 8 -1.276 -5.538 -3.294 45 HB2 CYS 8 2HB CYS 8 -3.235 -3.920 -3.444 46 HB3 CYS 8 1HB CYS 8 -2.819 -3.386 -1.816 47 H ILE 9 H ILE 9 -2.443 -5.123 0.032 48 HA ILE 9 HA ILE 9 0.122 -4.317 1.057 49 HB ILE 9 HB ILE 9 -2.533 -4.326 1.877 50 HG12 ILE 9 2HG1 ILE 9 -0.791 -2.665 2.424 51 HG13 ILE 9 1HG1 ILE 9 -1.666 -3.174 3.867 52 HG21 ILE 9 1HG2 ILE 9 -0.961 -6.023 3.831 53 HG22 ILE 9 2HG2 ILE 9 -2.149 -6.686 2.711 54 HG23 ILE 9 3HG2 ILE 9 -2.653 -5.542 3.953 55 HD11 ILE 9 3HD1 ILE 9 1.153 -3.713 3.078 56 HD12 ILE 9 1HD1 ILE 9 0.293 -5.019 3.894 57 HD13 ILE 9 2HD1 ILE 9 0.465 -3.449 4.680 58 H MET 10 H MET 10 -1.695 -7.347 0.931 59 HA MET 10 HA MET 10 0.304 -8.902 2.313 60 HB2 MET 10 2HB MET 10 -2.336 -9.148 1.743 61 HB3 MET 10 1HB MET 10 -1.650 -10.178 0.486 62 HG2 MET 10 2HG MET 10 -1.645 -11.777 2.103 63 HG3 MET 10 1HG MET 10 -0.194 -10.954 2.673 64 HE1 MET 10 3HE MET 10 -4.048 -11.135 2.830 65 HE2 MET 10 1HE MET 10 -4.267 -11.277 4.579 66 HE3 MET 10 2HE MET 10 -3.303 -12.468 3.710 67 H ASN 11 H ASN 11 -0.493 -8.189 -1.054 68 HA ASN 11 HA ASN 11 1.588 -10.053 -2.046 69 HB2 ASN 11 2HB ASN 11 -0.867 -9.302 -2.939 70 HB3 ASN 11 1HB ASN 11 0.146 -8.175 -3.840 71 HD21 ASN 11 1HD2 ASN 11 -1.362 -10.847 -4.546 72 HD22 ASN 11 2HD2 ASN 11 -0.192 -11.717 -5.415 73 H ASN 12 H ASN 12 1.029 -6.627 -1.507 74 HA ASN 12 HA ASN 12 3.826 -6.093 -2.468 75 HB2 ASN 12 2HB ASN 12 1.513 -4.165 -2.747 76 HB3 ASN 12 1HB ASN 12 3.057 -4.147 -3.597 77 HD21 ASN 12 1HD2 ASN 12 3.257 -6.812 -4.471 78 HD22 ASN 12 2HD2 ASN 12 1.982 -7.156 -5.538 79 HA PRO 13 HA PRO 13 3.052 -4.611 1.872 80 HB2 PRO 13 2HB PRO 13 5.243 -5.832 2.971 81 HB3 PRO 13 1HB PRO 13 3.664 -6.631 2.821 82 HG2 PRO 13 2HG PRO 13 6.096 -6.914 1.132 83 HG3 PRO 13 1HG PRO 13 4.930 -8.141 1.648 84 HD2 PRO 13 2HD PRO 13 4.944 -7.020 -0.843 85 HD3 PRO 13 1HD PRO 13 3.488 -7.679 -0.065 86 H ASP 14 H ASP 14 5.648 -4.548 -0.417 87 HA ASP 14 HA ASP 14 7.591 -2.966 0.851 88 HB2 ASP 14 2HB ASP 14 6.695 -3.652 -1.861 89 HB3 ASP 14 1HB ASP 14 7.517 -2.094 -1.771 90 H TYR 15 H TYR 15 4.400 -2.137 -0.262 91 HA TYR 15 HA TYR 15 4.928 0.776 -0.148 92 HB2 TYR 15 2HB TYR 15 3.401 -0.738 -1.752 93 HB3 TYR 15 1HB TYR 15 2.209 -0.404 -0.496 94 HD1 TYR 15 2HD TYR 15 1.868 2.050 0.212 95 HD2 TYR 15 1HD TYR 15 3.901 0.886 -3.389 96 HE1 TYR 15 2HE TYR 15 1.514 4.320 -0.721 97 HE2 TYR 15 1HE TYR 15 3.548 3.157 -4.322 98 HH TYR 15 HH TYR 15 2.809 5.213 -3.918 99 H CYS 16 H CYS 16 2.812 -1.606 1.458 100 HA CYS 16 HA CYS 16 2.306 0.372 3.638 101 HB2 CYS 16 2HB CYS 16 0.924 -1.980 2.428 102 HB3 CYS 16 1HB CYS 16 0.632 -1.671 4.140 103 HN1 NH2 17 HN1 NH2 17 1.789 -1.310 5.785 104 HN2 NH2 17 HN2 NH2 17 3.174 -2.198 6.205 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -1.842 2.790 -2.412 2 H2 GLY 1 2HT GLY 1 -2.429 4.315 -1.947 3 H3 GLY 1 3HT GLY 1 -2.705 3.739 -3.522 4 HA2 GLY 1 2HA GLY 1 -4.163 3.233 -1.097 5 HA3 GLY 1 1HA GLY 1 -4.679 3.064 -2.776 6 H CYS 2 H CYS 2 -2.682 1.474 -0.285 7 HA CYS 2 HA CYS 2 -3.467 -1.150 -1.496 8 HB2 CYS 2 2HB CYS 2 -0.777 -0.003 -0.820 9 HB3 CYS 2 1HB CYS 2 -1.017 -1.746 -0.698 10 H CYS 3 H CYS 3 -2.246 0.565 1.366 11 HA CYS 3 HA CYS 3 -2.345 -1.466 3.280 12 HB2 CYS 3 2HB CYS 3 -2.764 1.501 3.237 13 HB3 CYS 3 1HB CYS 3 -3.096 0.633 4.735 14 H GLU 4 H GLU 4 -4.942 0.381 1.809 15 HA GLU 4 HA GLU 4 -7.004 -0.704 3.618 16 HB2 GLU 4 2HB GLU 4 -6.897 1.611 2.479 17 HB3 GLU 4 1HB GLU 4 -7.367 0.773 1.000 18 HG2 GLU 4 2HG GLU 4 -9.462 1.320 1.811 19 HG3 GLU 4 1HG GLU 4 -9.242 -0.243 2.597 20 H ILE 5 H ILE 5 -5.210 -2.128 1.347 21 HA ILE 5 HA ILE 5 -7.413 -3.948 0.486 22 HB ILE 5 HB ILE 5 -5.336 -2.527 -1.208 23 HG12 ILE 5 2HG1 ILE 5 -8.016 -2.511 -2.241 24 HG13 ILE 5 1HG1 ILE 5 -8.059 -2.001 -0.554 25 HG21 ILE 5 1HG2 ILE 5 -6.666 -5.110 -1.587 26 HG22 ILE 5 2HG2 ILE 5 -5.295 -4.414 -2.451 27 HG23 ILE 5 3HG2 ILE 5 -6.941 -3.989 -2.922 28 HD11 ILE 5 3HD1 ILE 5 -6.837 -0.100 -0.953 29 HD12 ILE 5 1HD1 ILE 5 -7.523 -0.291 -2.567 30 HD13 ILE 5 2HD1 ILE 5 -5.885 -0.855 -2.231 31 HA PRO 6 HA PRO 6 -4.182 -6.614 2.048 32 HB2 PRO 6 2HB PRO 6 -5.573 -8.956 1.731 33 HB3 PRO 6 1HB PRO 6 -5.844 -7.842 3.088 34 HG2 PRO 6 2HG PRO 6 -7.403 -8.168 0.568 35 HG3 PRO 6 1HG PRO 6 -7.976 -7.900 2.222 36 HD2 PRO 6 2HD PRO 6 -7.851 -5.920 0.373 37 HD3 PRO 6 1HD PRO 6 -7.642 -5.629 2.115 38 H ALA 7 H ALA 7 -5.888 -6.987 -1.011 39 HA ALA 7 HA ALA 7 -4.342 -8.988 -2.245 40 HB1 ALA 7 1HB ALA 7 -6.335 -7.097 -2.888 41 HB2 ALA 7 2HB ALA 7 -5.775 -8.428 -3.901 42 HB3 ALA 7 3HB ALA 7 -5.032 -6.834 -4.047 43 H CYS 8 H CYS 8 -3.726 -5.542 -1.801 44 HA CYS 8 HA CYS 8 -1.156 -5.763 -3.285 45 HB2 CYS 8 2HB CYS 8 -2.732 -3.914 -3.765 46 HB3 CYS 8 1HB CYS 8 -2.648 -3.410 -2.077 47 H ILE 9 H ILE 9 -2.445 -5.248 -0.039 48 HA ILE 9 HA ILE 9 0.087 -4.509 1.107 49 HB ILE 9 HB ILE 9 -2.581 -4.413 1.798 50 HG12 ILE 9 2HG1 ILE 9 -0.077 -4.034 3.451 51 HG13 ILE 9 1HG1 ILE 9 -0.992 -2.803 2.580 52 HG21 ILE 9 1HG2 ILE 9 -1.249 -6.299 3.758 53 HG22 ILE 9 2HG2 ILE 9 -2.408 -6.822 2.537 54 HG23 ILE 9 3HG2 ILE 9 -2.910 -5.708 3.807 55 HD11 ILE 9 3HD1 ILE 9 -1.570 -2.616 4.916 56 HD12 ILE 9 1HD1 ILE 9 -1.878 -4.349 5.031 57 HD13 ILE 9 2HD1 ILE 9 -2.954 -3.322 4.084 58 H MET 10 H MET 10 -1.779 -7.512 0.911 59 HA MET 10 HA MET 10 0.166 -9.081 2.365 60 HB2 MET 10 2HB MET 10 -2.337 -9.447 2.177 61 HB3 MET 10 1HB MET 10 -2.055 -9.975 0.519 62 HG2 MET 10 2HG MET 10 -2.086 -11.961 1.859 63 HG3 MET 10 1HG MET 10 -0.395 -11.657 1.458 64 HE1 MET 10 3HE MET 10 1.288 -11.987 4.538 65 HE2 MET 10 1HE MET 10 1.452 -10.645 3.397 66 HE3 MET 10 2HE MET 10 1.081 -12.265 2.811 67 H ASN 11 H ASN 11 -0.580 -8.431 -1.027 68 HA ASN 11 HA ASN 11 1.530 -10.328 -1.918 69 HB2 ASN 11 2HB ASN 11 -0.278 -8.568 -3.590 70 HB3 ASN 11 1HB ASN 11 0.495 -10.083 -4.058 71 HD21 ASN 11 1HD2 ASN 11 -0.228 -11.203 -1.270 72 HD22 ASN 11 2HD2 ASN 11 -1.868 -11.614 -1.410 73 H ASN 12 H ASN 12 0.968 -6.928 -1.411 74 HA ASN 12 HA ASN 12 3.674 -6.370 -2.583 75 HB2 ASN 12 2HB ASN 12 0.999 -5.269 -3.242 76 HB3 ASN 12 1HB ASN 12 2.290 -4.076 -3.086 77 HD21 ASN 12 1HD2 ASN 12 1.051 -6.683 -5.071 78 HD22 ASN 12 2HD2 ASN 12 2.230 -6.578 -6.287 79 HA PRO 13 HA PRO 13 3.133 -4.735 1.724 80 HB2 PRO 13 2HB PRO 13 5.441 -5.820 2.720 81 HB3 PRO 13 1HB PRO 13 3.892 -6.688 2.703 82 HG2 PRO 13 2HG PRO 13 6.223 -6.939 0.874 83 HG3 PRO 13 1HG PRO 13 5.141 -8.190 1.504 84 HD2 PRO 13 2HD PRO 13 4.961 -7.153 -1.021 85 HD3 PRO 13 1HD PRO 13 3.587 -7.853 -0.139 86 H ASP 14 H ASP 14 5.397 -4.513 -0.825 87 HA ASP 14 HA ASP 14 7.478 -2.932 0.185 88 HB2 ASP 14 2HB ASP 14 5.987 -2.755 -2.453 89 HB3 ASP 14 1HB ASP 14 7.605 -2.116 -2.159 90 H TYR 15 H TYR 15 4.124 -2.157 -0.342 91 HA TYR 15 HA TYR 15 4.605 0.760 0.013 92 HB2 TYR 15 2HB TYR 15 2.981 -0.608 -1.635 93 HB3 TYR 15 1HB TYR 15 1.894 -0.463 -0.254 94 HD1 TYR 15 2HD TYR 15 3.283 2.225 0.677 95 HD2 TYR 15 1HD TYR 15 1.570 0.864 -3.021 96 HE1 TYR 15 2HE TYR 15 2.784 4.569 0.044 97 HE2 TYR 15 1HE TYR 15 1.073 3.209 -3.653 98 HH TYR 15 HH TYR 15 1.766 5.435 -3.141 99 H CYS 16 H CYS 16 2.878 -1.952 1.522 100 HA CYS 16 HA CYS 16 2.498 -0.280 3.982 101 HB2 CYS 16 2HB CYS 16 1.011 -2.658 2.825 102 HB3 CYS 16 1HB CYS 16 0.649 -1.955 4.402 103 HN1 NH2 17 HN1 NH2 17 1.854 -2.813 5.502 104 HN2 NH2 17 HN2 NH2 17 3.345 -3.566 5.794 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -2.741 5.067 -1.197 2 H2 GLY 1 2HT GLY 1 -3.981 3.955 -1.530 3 H3 GLY 1 3HT GLY 1 -2.439 3.738 -2.207 4 HA2 GLY 1 2HA GLY 1 -1.476 3.240 -0.112 5 HA3 GLY 1 1HA GLY 1 -2.968 3.697 0.711 6 H CYS 2 H CYS 2 -1.277 1.059 -0.035 7 HA CYS 2 HA CYS 2 -3.483 -0.624 -1.057 8 HB2 CYS 2 2HB CYS 2 -0.557 -0.938 -0.409 9 HB3 CYS 2 1HB CYS 2 -1.559 -2.360 -0.696 10 H CYS 3 H CYS 3 -2.371 0.467 1.971 11 HA CYS 3 HA CYS 3 -2.618 -1.758 3.662 12 HB2 CYS 3 2HB CYS 3 -3.062 1.201 3.887 13 HB3 CYS 3 1HB CYS 3 -3.476 0.172 5.259 14 H GLU 4 H GLU 4 -5.071 0.151 2.054 15 HA GLU 4 HA GLU 4 -7.291 -1.020 3.597 16 HB2 GLU 4 2HB GLU 4 -6.788 1.224 1.926 17 HB3 GLU 4 1HB GLU 4 -8.038 0.267 1.128 18 HG2 GLU 4 2HG GLU 4 -9.199 0.168 3.415 19 HG3 GLU 4 1HG GLU 4 -8.086 1.444 3.910 20 H ILE 5 H ILE 5 -5.228 -2.287 1.420 21 HA ILE 5 HA ILE 5 -7.286 -4.138 0.300 22 HB ILE 5 HB ILE 5 -5.054 -2.704 -1.181 23 HG12 ILE 5 2HG1 ILE 5 -7.643 -2.314 -2.324 24 HG13 ILE 5 1HG1 ILE 5 -7.757 -1.960 -0.601 25 HG21 ILE 5 1HG2 ILE 5 -5.557 -5.082 -1.898 26 HG22 ILE 5 2HG2 ILE 5 -5.795 -3.859 -3.148 27 HG23 ILE 5 3HG2 ILE 5 -7.185 -4.536 -2.299 28 HD11 ILE 5 3HD1 ILE 5 -6.916 0.071 -1.159 29 HD12 ILE 5 1HD1 ILE 5 -6.334 -0.502 -2.722 30 HD13 ILE 5 2HD1 ILE 5 -5.370 -0.769 -1.269 31 HA PRO 6 HA PRO 6 -4.052 -6.734 2.013 32 HB2 PRO 6 2HB PRO 6 -5.389 -9.099 1.624 33 HB3 PRO 6 1HB PRO 6 -5.727 -8.008 2.983 34 HG2 PRO 6 2HG PRO 6 -7.192 -8.329 0.406 35 HG3 PRO 6 1HG PRO 6 -7.827 -8.098 2.043 36 HD2 PRO 6 2HD PRO 6 -7.682 -6.087 0.230 37 HD3 PRO 6 1HD PRO 6 -7.531 -5.818 1.983 38 H ALA 7 H ALA 7 -5.778 -7.432 -1.020 39 HA ALA 7 HA ALA 7 -4.009 -9.230 -2.226 40 HB1 ALA 7 1HB ALA 7 -5.056 -8.536 -4.248 41 HB2 ALA 7 2HB ALA 7 -5.291 -6.895 -3.648 42 HB3 ALA 7 3HB ALA 7 -6.258 -8.218 -2.998 43 H CYS 8 H CYS 8 -3.713 -5.781 -1.685 44 HA CYS 8 HA CYS 8 -1.203 -5.660 -3.276 45 HB2 CYS 8 2HB CYS 8 -3.126 -3.967 -3.377 46 HB3 CYS 8 1HB CYS 8 -2.618 -3.450 -1.770 47 H ILE 9 H ILE 9 -2.390 -5.267 0.055 48 HA ILE 9 HA ILE 9 0.190 -4.562 1.104 49 HB ILE 9 HB ILE 9 -2.447 -4.489 1.935 50 HG12 ILE 9 2HG1 ILE 9 0.168 -4.114 3.406 51 HG13 ILE 9 1HG1 ILE 9 -0.859 -2.879 2.680 52 HG21 ILE 9 1HG2 ILE 9 -0.991 -6.412 3.774 53 HG22 ILE 9 2HG2 ILE 9 -2.217 -6.916 2.610 54 HG23 ILE 9 3HG2 ILE 9 -2.650 -5.833 3.934 55 HD11 ILE 9 3HD1 ILE 9 -2.663 -3.697 4.361 56 HD12 ILE 9 1HD1 ILE 9 -1.342 -2.706 4.982 57 HD13 ILE 9 2HD1 ILE 9 -1.316 -4.455 5.210 58 H MET 10 H MET 10 -1.619 -7.569 0.762 59 HA MET 10 HA MET 10 0.298 -9.178 2.207 60 HB2 MET 10 2HB MET 10 -2.319 -9.379 1.404 61 HB3 MET 10 1HB MET 10 -1.508 -10.463 0.273 62 HG2 MET 10 2HG MET 10 -1.681 -11.988 1.953 63 HG3 MET 10 1HG MET 10 -0.291 -11.141 2.630 64 HE1 MET 10 3HE MET 10 -2.743 -12.731 4.643 65 HE2 MET 10 1HE MET 10 -1.942 -11.690 5.828 66 HE3 MET 10 2HE MET 10 -1.016 -12.408 4.512 67 H ASN 11 H ASN 11 -0.284 -8.330 -1.171 68 HA ASN 11 HA ASN 11 1.900 -10.156 -2.051 69 HB2 ASN 11 2HB ASN 11 -0.056 -8.425 -3.597 70 HB3 ASN 11 1HB ASN 11 0.996 -9.664 -4.282 71 HD21 ASN 11 1HD2 ASN 11 -1.241 -10.565 -4.988 72 HD22 ASN 11 2HD2 ASN 11 -2.040 -11.584 -3.890 73 H ASN 12 H ASN 12 1.137 -6.757 -1.603 74 HA ASN 12 HA ASN 12 3.902 -6.096 -2.577 75 HB2 ASN 12 2HB ASN 12 1.298 -4.586 -2.984 76 HB3 ASN 12 1HB ASN 12 2.886 -3.976 -3.444 77 HD21 ASN 12 1HD2 ASN 12 0.224 -5.708 -4.617 78 HD22 ASN 12 2HD2 ASN 12 0.976 -6.456 -5.943 79 HA PRO 13 HA PRO 13 3.104 -4.664 1.771 80 HB2 PRO 13 2HB PRO 13 5.418 -5.701 2.803 81 HB3 PRO 13 1HB PRO 13 3.908 -6.627 2.695 82 HG2 PRO 13 2HG PRO 13 6.295 -6.686 0.914 83 HG3 PRO 13 1HG PRO 13 5.280 -8.021 1.484 84 HD2 PRO 13 2HD PRO 13 5.061 -6.952 -1.004 85 HD3 PRO 13 1HD PRO 13 3.691 -7.682 -0.137 86 H ASP 14 H ASP 14 5.421 -4.225 -0.687 87 HA ASP 14 HA ASP 14 7.374 -2.582 0.521 88 HB2 ASP 14 2HB ASP 14 7.841 -1.924 -1.743 89 HB3 ASP 14 1HB ASP 14 7.264 -3.589 -1.819 90 H TYR 15 H TYR 15 4.027 -2.019 0.053 91 HA TYR 15 HA TYR 15 4.358 0.943 0.198 92 HB2 TYR 15 2HB TYR 15 2.693 -0.801 -1.225 93 HB3 TYR 15 1HB TYR 15 1.649 -0.114 0.020 94 HD1 TYR 15 1HD TYR 15 2.893 2.562 0.388 95 HD2 TYR 15 2HD TYR 15 2.046 0.344 -3.192 96 HE1 TYR 15 1HE TYR 15 2.757 4.681 -0.895 97 HE2 TYR 15 2HE TYR 15 1.910 2.462 -4.473 98 HH TYR 15 HH TYR 15 2.859 4.826 -4.219 99 H CYS 16 H CYS 16 2.924 -1.814 1.904 100 HA CYS 16 HA CYS 16 2.281 0.010 4.197 101 HB2 CYS 16 2HB CYS 16 1.080 -2.520 3.081 102 HB3 CYS 16 1HB CYS 16 0.744 -2.026 4.739 103 HN1 NH2 17 HN1 NH2 17 3.829 -3.083 3.290 104 HN2 NH2 17 HN2 NH2 17 4.591 -3.340 4.786 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -6.097 2.572 -1.617 2 H2 GLY 1 2HT GLY 1 -5.430 3.613 -2.783 3 H3 GLY 1 3HT GLY 1 -5.643 4.147 -1.185 4 HA2 GLY 1 2HA GLY 1 -3.349 3.128 -2.218 5 HA3 GLY 1 1HA GLY 1 -3.727 3.278 -0.502 6 H CYS 2 H CYS 2 -2.161 1.270 -0.728 7 HA CYS 2 HA CYS 2 -3.639 -1.214 -1.420 8 HB2 CYS 2 2HB CYS 2 -0.783 -0.510 -0.698 9 HB3 CYS 2 1HB CYS 2 -1.319 -2.174 -0.934 10 H CYS 3 H CYS 3 -2.711 0.671 1.341 11 HA CYS 3 HA CYS 3 -2.531 -1.339 3.326 12 HB2 CYS 3 2HB CYS 3 -3.180 1.583 3.203 13 HB3 CYS 3 1HB CYS 3 -3.369 0.734 4.737 14 H GLU 4 H GLU 4 -5.324 0.250 1.872 15 HA GLU 4 HA GLU 4 -7.205 -0.953 3.796 16 HB2 GLU 4 2HB GLU 4 -7.289 0.858 1.398 17 HB3 GLU 4 1HB GLU 4 -8.782 0.088 1.937 18 HG2 GLU 4 2HG GLU 4 -7.070 1.403 4.002 19 HG3 GLU 4 1HG GLU 4 -8.006 2.440 2.924 20 H ILE 5 H ILE 5 -5.395 -2.230 1.411 21 HA ILE 5 HA ILE 5 -7.463 -4.279 0.731 22 HB ILE 5 HB ILE 5 -5.605 -2.783 -1.149 23 HG12 ILE 5 2HG1 ILE 5 -8.369 -2.765 -1.913 24 HG13 ILE 5 1HG1 ILE 5 -8.253 -2.249 -0.231 25 HG21 ILE 5 1HG2 ILE 5 -6.815 -4.128 -2.907 26 HG22 ILE 5 2HG2 ILE 5 -7.485 -5.110 -1.604 27 HG23 ILE 5 3HG2 ILE 5 -5.743 -5.073 -1.876 28 HD11 ILE 5 3HD1 ILE 5 -7.847 -0.594 -2.368 29 HD12 ILE 5 1HD1 ILE 5 -6.196 -1.104 -2.012 30 HD13 ILE 5 2HD1 ILE 5 -7.166 -0.322 -0.763 31 HA PRO 6 HA PRO 6 -3.897 -6.673 1.942 32 HB2 PRO 6 2HB PRO 6 -5.062 -9.131 1.624 33 HB3 PRO 6 1HB PRO 6 -5.368 -8.094 3.033 34 HG2 PRO 6 2HG PRO 6 -7.037 -8.530 0.607 35 HG3 PRO 6 1HG PRO 6 -7.530 -8.333 2.297 36 HD2 PRO 6 2HD PRO 6 -7.690 -6.340 0.440 37 HD3 PRO 6 1HD PRO 6 -7.482 -6.046 2.181 38 H ALA 7 H ALA 7 -5.830 -7.299 -0.961 39 HA ALA 7 HA ALA 7 -4.185 -9.025 -2.404 40 HB1 ALA 7 1HB ALA 7 -5.225 -6.772 -3.964 41 HB2 ALA 7 2HB ALA 7 -6.411 -7.425 -2.835 42 HB3 ALA 7 3HB ALA 7 -5.666 -8.479 -4.037 43 H CYS 8 H CYS 8 -3.714 -5.673 -1.574 44 HA CYS 8 HA CYS 8 -1.262 -5.565 -3.288 45 HB2 CYS 8 2HB CYS 8 -3.234 -3.872 -3.391 46 HB3 CYS 8 1HB CYS 8 -2.603 -3.266 -1.861 47 H ILE 9 H ILE 9 -2.474 -5.122 0.009 48 HA ILE 9 HA ILE 9 0.103 -4.378 1.065 49 HB ILE 9 HB ILE 9 -2.572 -4.281 1.824 50 HG12 ILE 9 2HG1 ILE 9 -0.750 -2.669 2.341 51 HG13 ILE 9 1HG1 ILE 9 -1.734 -3.051 3.754 52 HG21 ILE 9 1HG2 ILE 9 -1.127 -5.875 3.942 53 HG22 ILE 9 2HG2 ILE 9 -2.150 -6.654 2.736 54 HG23 ILE 9 3HG2 ILE 9 -2.843 -5.479 3.852 55 HD11 ILE 9 3HD1 ILE 9 0.382 -3.319 4.659 56 HD12 ILE 9 1HD1 ILE 9 1.081 -3.858 3.133 57 HD13 ILE 9 2HD1 ILE 9 0.084 -4.958 4.084 58 H MET 10 H MET 10 -1.772 -7.349 0.790 59 HA MET 10 HA MET 10 0.066 -8.964 2.329 60 HB2 MET 10 2HB MET 10 -2.344 -9.433 2.115 61 HB3 MET 10 1HB MET 10 -2.144 -9.646 0.376 62 HG2 MET 10 2HG MET 10 -1.611 -11.803 0.709 63 HG3 MET 10 1HG MET 10 -0.213 -11.299 1.655 64 HE1 MET 10 3HE MET 10 -0.931 -13.375 4.491 65 HE2 MET 10 1HE MET 10 0.124 -12.760 3.211 66 HE3 MET 10 2HE MET 10 -1.075 -13.999 2.851 67 H ASN 11 H ASN 11 -0.506 -8.297 -1.102 68 HA ASN 11 HA ASN 11 1.711 -10.131 -1.870 69 HB2 ASN 11 2HB ASN 11 -0.448 -8.586 -3.322 70 HB3 ASN 11 1HB ASN 11 0.838 -9.427 -4.186 71 HD21 ASN 11 1HD2 ASN 11 -2.294 -9.865 -3.189 72 HD22 ASN 11 2HD2 ASN 11 -2.307 -11.553 -3.018 73 H ASN 12 H ASN 12 0.930 -6.745 -1.505 74 HA ASN 12 HA ASN 12 3.689 -6.067 -2.480 75 HB2 ASN 12 2HB ASN 12 1.000 -5.062 -3.253 76 HB3 ASN 12 1HB ASN 12 2.253 -3.835 -3.058 77 HD21 ASN 12 1HD2 ASN 12 1.418 -6.797 -4.868 78 HD22 ASN 12 2HD2 ASN 12 2.528 -6.538 -6.125 79 HA PRO 13 HA PRO 13 2.657 -4.479 1.807 80 HB2 PRO 13 2HB PRO 13 4.700 -5.760 3.104 81 HB3 PRO 13 1HB PRO 13 3.097 -6.487 2.872 82 HG2 PRO 13 2HG PRO 13 5.618 -6.945 1.357 83 HG3 PRO 13 1HG PRO 13 4.374 -8.103 1.852 84 HD2 PRO 13 2HD PRO 13 4.575 -7.112 -0.676 85 HD3 PRO 13 1HD PRO 13 3.040 -7.641 0.049 86 H ASP 14 H ASP 14 5.511 -4.758 -0.191 87 HA ASP 14 HA ASP 14 7.388 -3.163 1.124 88 HB2 ASP 14 2HB ASP 14 7.659 -4.394 -1.032 89 HB3 ASP 14 1HB ASP 14 6.659 -3.176 -1.824 90 H TYR 15 H TYR 15 4.336 -2.290 -0.273 91 HA TYR 15 HA TYR 15 4.949 0.604 -0.318 92 HB2 TYR 15 2HB TYR 15 3.508 -0.837 -1.957 93 HB3 TYR 15 1HB TYR 15 2.259 -0.687 -0.723 94 HD1 TYR 15 2HD TYR 15 4.508 1.249 -2.966 95 HD2 TYR 15 1HD TYR 15 1.062 1.353 -0.404 96 HE1 TYR 15 2HE TYR 15 3.970 3.529 -3.780 97 HE2 TYR 15 1HE TYR 15 0.524 3.632 -1.218 98 HH TYR 15 HH TYR 15 2.650 5.572 -2.786 99 H CYS 16 H CYS 16 2.843 -1.663 1.447 100 HA CYS 16 HA CYS 16 2.163 0.495 3.392 101 HB2 CYS 16 2HB CYS 16 1.003 -2.111 2.483 102 HB3 CYS 16 1HB CYS 16 0.610 -1.553 4.109 103 HN1 NH2 17 HN1 NH2 17 1.837 -0.754 5.759 104 HN2 NH2 17 HN2 NH2 17 3.232 -1.575 6.271 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -5.437 3.926 -0.965 2 H2 GLY 1 2HT GLY 1 -3.933 3.565 -0.262 3 H3 GLY 1 3HT GLY 1 -5.183 2.414 -0.240 4 HA2 GLY 1 2HA GLY 1 -4.995 2.833 -2.861 5 HA3 GLY 1 1HA GLY 1 -3.325 3.102 -2.359 6 H CYS 2 H CYS 2 -2.826 1.345 -0.423 7 HA CYS 2 HA CYS 2 -3.637 -1.327 -1.517 8 HB2 CYS 2 2HB CYS 2 -0.956 -0.141 -0.823 9 HB3 CYS 2 1HB CYS 2 -1.188 -1.888 -0.796 10 H CYS 3 H CYS 3 -2.566 0.551 1.285 11 HA CYS 3 HA CYS 3 -2.519 -1.447 3.254 12 HB2 CYS 3 2HB CYS 3 -2.867 1.478 3.060 13 HB3 CYS 3 1HB CYS 3 -3.514 0.766 4.538 14 H GLU 4 H GLU 4 -5.225 0.182 1.725 15 HA GLU 4 HA GLU 4 -7.203 -0.936 3.606 16 HB2 GLU 4 2HB GLU 4 -7.341 0.650 1.021 17 HB3 GLU 4 1HB GLU 4 -8.763 0.197 1.960 18 HG2 GLU 4 2HG GLU 4 -6.940 1.315 3.806 19 HG3 GLU 4 1HG GLU 4 -6.927 2.383 2.402 20 H ILE 5 H ILE 5 -5.350 -2.326 1.329 21 HA ILE 5 HA ILE 5 -7.443 -4.334 0.629 22 HB ILE 5 HB ILE 5 -5.590 -2.802 -1.217 23 HG12 ILE 5 2HG1 ILE 5 -8.285 -3.081 -2.143 24 HG13 ILE 5 1HG1 ILE 5 -8.335 -2.545 -0.464 25 HG21 ILE 5 1HG2 ILE 5 -5.428 -4.692 -2.434 26 HG22 ILE 5 2HG2 ILE 5 -7.150 -4.513 -2.766 27 HG23 ILE 5 3HG2 ILE 5 -6.612 -5.524 -1.426 28 HD11 ILE 5 3HD1 ILE 5 -7.860 -0.930 -2.689 29 HD12 ILE 5 1HD1 ILE 5 -6.265 -1.160 -1.973 30 HD13 ILE 5 2HD1 ILE 5 -7.577 -0.490 -1.004 31 HA PRO 6 HA PRO 6 -3.943 -6.726 2.009 32 HB2 PRO 6 2HB PRO 6 -5.143 -9.178 1.762 33 HB3 PRO 6 1HB PRO 6 -5.452 -8.084 3.124 34 HG2 PRO 6 2HG PRO 6 -7.088 -8.582 0.688 35 HG3 PRO 6 1HG PRO 6 -7.605 -8.314 2.360 36 HD2 PRO 6 2HD PRO 6 -7.702 -6.388 0.431 37 HD3 PRO 6 1HD PRO 6 -7.508 -6.033 2.163 38 H ALA 7 H ALA 7 -5.769 -7.297 -0.955 39 HA ALA 7 HA ALA 7 -4.139 -9.151 -2.278 40 HB1 ALA 7 1HB ALA 7 -5.600 -8.635 -3.930 41 HB2 ALA 7 2HB ALA 7 -5.033 -6.965 -3.983 42 HB3 ALA 7 3HB ALA 7 -6.282 -7.436 -2.830 43 H CYS 8 H CYS 8 -3.687 -5.708 -1.716 44 HA CYS 8 HA CYS 8 -1.161 -5.738 -3.301 45 HB2 CYS 8 2HB CYS 8 -2.945 -3.982 -3.617 46 HB3 CYS 8 1HB CYS 8 -2.642 -3.451 -1.963 47 H ILE 9 H ILE 9 -2.402 -5.256 -0.021 48 HA ILE 9 HA ILE 9 0.155 -4.497 1.059 49 HB ILE 9 HB ILE 9 -2.508 -4.390 1.799 50 HG12 ILE 9 2HG1 ILE 9 0.047 -3.904 3.339 51 HG13 ILE 9 1HG1 ILE 9 -0.944 -2.725 2.477 52 HG21 ILE 9 1HG2 ILE 9 -2.829 -5.639 3.802 53 HG22 ILE 9 2HG2 ILE 9 -1.133 -6.119 3.863 54 HG23 ILE 9 3HG2 ILE 9 -2.197 -6.795 2.631 55 HD11 ILE 9 3HD1 ILE 9 -1.609 -2.358 4.683 56 HD12 ILE 9 1HD1 ILE 9 -1.463 -4.062 5.116 57 HD13 ILE 9 2HD1 ILE 9 -2.825 -3.515 4.139 58 H MET 10 H MET 10 -1.686 -7.503 0.833 59 HA MET 10 HA MET 10 0.204 -9.058 2.369 60 HB2 MET 10 2HB MET 10 -2.408 -9.277 1.573 61 HB3 MET 10 1HB MET 10 -1.609 -10.412 0.483 62 HG2 MET 10 2HG MET 10 -0.827 -10.504 3.360 63 HG3 MET 10 1HG MET 10 -2.419 -11.135 2.935 64 HE1 MET 10 3HE MET 10 -0.173 -13.050 4.206 65 HE2 MET 10 1HE MET 10 -0.649 -14.450 3.235 66 HE3 MET 10 2HE MET 10 -1.869 -13.318 3.815 67 H ASN 11 H ASN 11 -0.331 -8.339 -1.042 68 HA ASN 11 HA ASN 11 1.858 -10.218 -1.811 69 HB2 ASN 11 2HB ASN 11 -0.171 -8.631 -3.418 70 HB3 ASN 11 1HB ASN 11 0.960 -9.806 -4.089 71 HD21 ASN 11 1HD2 ASN 11 -2.089 -9.873 -3.926 72 HD22 ASN 11 2HD2 ASN 11 -2.441 -11.346 -3.160 73 H ASN 12 H ASN 12 1.065 -6.813 -1.536 74 HA ASN 12 HA ASN 12 3.810 -6.171 -2.580 75 HB2 ASN 12 2HB ASN 12 1.381 -4.401 -2.912 76 HB3 ASN 12 1HB ASN 12 2.902 -4.343 -3.799 77 HD21 ASN 12 1HD2 ASN 12 3.316 -6.875 -4.707 78 HD22 ASN 12 2HD2 ASN 12 2.013 -7.422 -5.645 79 HA PRO 13 HA PRO 13 2.985 -4.465 1.680 80 HB2 PRO 13 2HB PRO 13 5.171 -5.600 2.876 81 HB3 PRO 13 1HB PRO 13 3.598 -6.416 2.764 82 HG2 PRO 13 2HG PRO 13 6.046 -6.795 1.117 83 HG3 PRO 13 1HG PRO 13 4.882 -7.993 1.704 84 HD2 PRO 13 2HD PRO 13 4.910 -7.039 -0.854 85 HD3 PRO 13 1HD PRO 13 3.451 -7.653 -0.045 86 H ASP 14 H ASP 14 5.233 -4.219 -0.791 87 HA ASP 14 HA ASP 14 7.419 -2.814 0.273 88 HB2 ASP 14 2HB ASP 14 5.888 -2.689 -2.327 89 HB3 ASP 14 1HB ASP 14 7.350 -1.736 -2.072 90 H TYR 15 H TYR 15 4.134 -1.762 -0.397 91 HA TYR 15 HA TYR 15 4.785 1.061 0.248 92 HB2 TYR 15 2HB TYR 15 3.112 -0.140 -1.539 93 HB3 TYR 15 1HB TYR 15 1.996 0.157 -0.205 94 HD1 TYR 15 1HD TYR 15 4.614 1.850 -2.279 95 HD2 TYR 15 2HD TYR 15 1.060 2.289 0.095 96 HE1 TYR 15 1HE TYR 15 4.476 4.240 -2.927 97 HE2 TYR 15 2HE TYR 15 0.924 4.680 -0.553 98 HH TYR 15 HH TYR 15 1.862 6.049 -2.729 99 H CYS 16 H CYS 16 2.855 -1.655 1.482 100 HA CYS 16 HA CYS 16 2.460 -0.127 4.035 101 HB2 CYS 16 2HB CYS 16 0.844 -2.192 2.532 102 HB3 CYS 16 1HB CYS 16 0.512 -1.812 4.222 103 HN1 NH2 17 HN1 NH2 17 2.139 -3.631 3.334 104 HN2 NH2 17 HN2 NH2 17 3.291 -4.138 4.473 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -5.211 4.519 -1.460 2 H2 GLY 1 2HT GLY 1 -4.788 3.463 -2.722 3 H3 GLY 1 3HT GLY 1 -3.948 4.926 -2.517 4 HA2 GLY 1 2HA GLY 1 -2.446 3.632 -1.485 5 HA3 GLY 1 1HA GLY 1 -3.549 3.847 -0.125 6 H CYS 2 H CYS 2 -1.853 1.520 -0.671 7 HA CYS 2 HA CYS 2 -3.791 -0.591 -1.462 8 HB2 CYS 2 2HB CYS 2 -0.837 -0.282 -1.125 9 HB3 CYS 2 1HB CYS 2 -1.512 -1.900 -0.937 10 H CYS 3 H CYS 3 -2.380 0.835 1.370 11 HA CYS 3 HA CYS 3 -2.424 -1.270 3.224 12 HB2 CYS 3 2HB CYS 3 -2.345 1.619 3.157 13 HB3 CYS 3 1HB CYS 3 -3.349 1.078 4.502 14 H GLU 4 H GLU 4 -5.049 0.407 1.685 15 HA GLU 4 HA GLU 4 -7.059 -0.504 3.651 16 HB2 GLU 4 2HB GLU 4 -8.587 0.661 2.044 17 HB3 GLU 4 1HB GLU 4 -7.248 1.686 2.562 18 HG2 GLU 4 2HG GLU 4 -6.253 1.667 0.496 19 HG3 GLU 4 1HG GLU 4 -6.780 0.020 0.146 20 H ILE 5 H ILE 5 -5.316 -2.017 1.317 21 HA ILE 5 HA ILE 5 -7.496 -3.991 0.782 22 HB ILE 5 HB ILE 5 -5.576 -2.700 -1.183 23 HG12 ILE 5 2HG1 ILE 5 -8.400 -2.714 -1.862 24 HG13 ILE 5 1HG1 ILE 5 -8.133 -1.945 -0.297 25 HG21 ILE 5 1HG2 ILE 5 -6.413 -4.178 -2.856 26 HG22 ILE 5 2HG2 ILE 5 -7.683 -4.781 -1.790 27 HG23 ILE 5 3HG2 ILE 5 -5.998 -5.203 -1.481 28 HD11 ILE 5 3HD1 ILE 5 -6.982 -1.195 -2.981 29 HD12 ILE 5 1HD1 ILE 5 -6.199 -0.687 -1.484 30 HD13 ILE 5 2HD1 ILE 5 -7.851 -0.177 -1.832 31 HA PRO 6 HA PRO 6 -4.059 -6.453 2.211 32 HB2 PRO 6 2HB PRO 6 -5.371 -8.859 2.140 33 HB3 PRO 6 1HB PRO 6 -5.590 -7.676 3.446 34 HG2 PRO 6 2HG PRO 6 -7.319 -8.232 1.087 35 HG3 PRO 6 1HG PRO 6 -7.775 -7.855 2.756 36 HD2 PRO 6 2HD PRO 6 -7.850 -6.029 0.734 37 HD3 PRO 6 1HD PRO 6 -7.580 -5.593 2.437 38 H ALA 7 H ALA 7 -6.052 -7.247 -0.610 39 HA ALA 7 HA ALA 7 -4.458 -9.172 -1.874 40 HB1 ALA 7 1HB ALA 7 -5.790 -8.680 -3.715 41 HB2 ALA 7 2HB ALA 7 -5.675 -6.940 -3.453 42 HB3 ALA 7 3HB ALA 7 -6.740 -7.915 -2.441 43 H CYS 8 H CYS 8 -3.959 -5.737 -1.469 44 HA CYS 8 HA CYS 8 -1.575 -5.822 -3.268 45 HB2 CYS 8 2HB CYS 8 -3.388 -4.092 -3.555 46 HB3 CYS 8 1HB CYS 8 -2.987 -3.478 -1.950 47 H ILE 9 H ILE 9 -2.595 -5.153 0.059 48 HA ILE 9 HA ILE 9 0.041 -4.369 0.925 49 HB ILE 9 HB ILE 9 -2.564 -4.170 1.845 50 HG12 ILE 9 2HG1 ILE 9 -0.695 -2.603 2.240 51 HG13 ILE 9 1HG1 ILE 9 -1.550 -2.975 3.737 52 HG21 ILE 9 1HG2 ILE 9 -2.292 -6.509 2.792 53 HG22 ILE 9 2HG2 ILE 9 -2.695 -5.271 3.981 54 HG23 ILE 9 3HG2 ILE 9 -1.037 -5.856 3.845 55 HD11 ILE 9 3HD1 ILE 9 1.224 -3.516 3.014 56 HD12 ILE 9 1HD1 ILE 9 0.389 -4.970 3.562 57 HD13 ILE 9 2HD1 ILE 9 0.456 -3.547 4.601 58 H MET 10 H MET 10 -1.905 -7.320 1.088 59 HA MET 10 HA MET 10 0.096 -8.875 2.475 60 HB2 MET 10 2HB MET 10 -2.612 -9.039 1.819 61 HB3 MET 10 1HB MET 10 -1.863 -10.337 0.890 62 HG2 MET 10 2HG MET 10 -0.844 -10.159 3.635 63 HG3 MET 10 1HG MET 10 -2.575 -10.489 3.561 64 HE1 MET 10 3HE MET 10 0.779 -11.060 2.574 65 HE2 MET 10 1HE MET 10 0.793 -12.383 1.399 66 HE3 MET 10 2HE MET 10 0.986 -12.723 3.117 67 H ASN 11 H ASN 11 -0.869 -8.326 -0.867 68 HA ASN 11 HA ASN 11 1.047 -10.324 -1.903 69 HB2 ASN 11 2HB ASN 11 -1.377 -9.646 -2.705 70 HB3 ASN 11 1HB ASN 11 -0.520 -8.351 -3.543 71 HD21 ASN 11 1HD2 ASN 11 1.907 -10.248 -3.746 72 HD22 ASN 11 2HD2 ASN 11 1.517 -11.264 -5.047 73 H ASN 12 H ASN 12 0.700 -6.841 -1.539 74 HA ASN 12 HA ASN 12 3.486 -6.516 -2.599 75 HB2 ASN 12 2HB ASN 12 1.252 -4.515 -2.988 76 HB3 ASN 12 1HB ASN 12 2.778 -4.627 -3.863 77 HD21 ASN 12 1HD2 ASN 12 2.738 -7.482 -4.353 78 HD22 ASN 12 2HD2 ASN 12 1.477 -7.801 -5.444 79 HA PRO 13 HA PRO 13 2.776 -4.638 1.623 80 HB2 PRO 13 2HB PRO 13 4.838 -5.944 2.867 81 HB3 PRO 13 1HB PRO 13 3.194 -6.606 2.763 82 HG2 PRO 13 2HG PRO 13 5.600 -7.251 1.130 83 HG3 PRO 13 1HG PRO 13 4.339 -8.325 1.758 84 HD2 PRO 13 2HD PRO 13 4.422 -7.477 -0.826 85 HD3 PRO 13 1HD PRO 13 2.911 -7.886 0.019 86 H ASP 14 H ASP 14 5.201 -4.818 -0.755 87 HA ASP 14 HA ASP 14 7.415 -3.490 0.327 88 HB2 ASP 14 2HB ASP 14 7.331 -4.429 -1.922 89 HB3 ASP 14 1HB ASP 14 6.076 -3.280 -2.386 90 H TYR 15 H TYR 15 4.213 -2.324 -0.275 91 HA TYR 15 HA TYR 15 5.052 0.523 -0.057 92 HB2 TYR 15 2HB TYR 15 3.489 0.011 -1.811 93 HB3 TYR 15 1HB TYR 15 2.473 -0.921 -0.709 94 HD1 TYR 15 1HD TYR 15 3.830 2.521 -1.266 95 HD2 TYR 15 2HD TYR 15 0.706 0.118 0.442 96 HE1 TYR 15 1HE TYR 15 2.567 4.575 -0.689 97 HE2 TYR 15 2HE TYR 15 -0.558 2.172 1.019 98 HH TYR 15 HH TYR 15 0.104 5.162 -0.282 99 H CYS 16 H CYS 16 2.990 -1.877 1.572 100 HA CYS 16 HA CYS 16 2.938 -0.075 3.973 101 HB2 CYS 16 2HB CYS 16 0.919 -1.730 2.545 102 HB3 CYS 16 1HB CYS 16 0.814 -1.719 4.306 103 HN1 NH2 17 HN1 NH2 17 5.111 -1.947 3.552 104 HN2 NH2 17 HN2 NH2 17 4.969 -3.190 4.698 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -5.481 3.277 -2.962 2 H2 GLY 1 2HT GLY 1 -4.771 2.400 -4.234 3 H3 GLY 1 3HT GLY 1 -4.343 4.024 -3.974 4 HA2 GLY 1 2HA GLY 1 -2.562 3.004 -3.012 5 HA3 GLY 1 1HA GLY 1 -3.649 3.150 -1.631 6 H CYS 2 H CYS 2 -2.785 1.254 -0.625 7 HA CYS 2 HA CYS 2 -3.896 -1.267 -1.727 8 HB2 CYS 2 2HB CYS 2 -1.003 -0.546 -1.394 9 HB3 CYS 2 1HB CYS 2 -1.499 -2.225 -1.169 10 H CYS 3 H CYS 3 -2.336 0.450 0.946 11 HA CYS 3 HA CYS 3 -2.330 -1.474 2.957 12 HB2 CYS 3 2HB CYS 3 -2.939 1.488 2.925 13 HB3 CYS 3 1HB CYS 3 -2.795 0.583 4.432 14 H GLU 4 H GLU 4 -5.019 0.142 1.444 15 HA GLU 4 HA GLU 4 -6.961 -0.756 3.486 16 HB2 GLU 4 2HB GLU 4 -6.870 0.969 1.064 17 HB3 GLU 4 1HB GLU 4 -8.421 0.207 1.413 18 HG2 GLU 4 2HG GLU 4 -8.678 2.064 2.738 19 HG3 GLU 4 1HG GLU 4 -7.799 1.060 3.892 20 H ILE 5 H ILE 5 -5.269 -2.367 1.246 21 HA ILE 5 HA ILE 5 -7.468 -4.317 0.722 22 HB ILE 5 HB ILE 5 -5.550 -3.052 -1.266 23 HG12 ILE 5 2HG1 ILE 5 -8.228 -2.956 -2.148 24 HG13 ILE 5 1HG1 ILE 5 -8.270 -2.498 -0.445 25 HG21 ILE 5 1HG2 ILE 5 -7.579 -4.747 -2.428 26 HG22 ILE 5 2HG2 ILE 5 -6.604 -5.665 -1.280 27 HG23 ILE 5 3HG2 ILE 5 -5.827 -4.821 -2.620 28 HD11 ILE 5 3HD1 ILE 5 -6.938 -0.633 -0.772 29 HD12 ILE 5 1HD1 ILE 5 -7.777 -0.692 -2.322 30 HD13 ILE 5 2HD1 ILE 5 -6.137 -1.325 -2.183 31 HA PRO 6 HA PRO 6 -4.019 -6.731 2.240 32 HB2 PRO 6 2HB PRO 6 -5.335 -9.135 2.253 33 HB3 PRO 6 1HB PRO 6 -5.544 -7.909 3.520 34 HG2 PRO 6 2HG PRO 6 -7.281 -8.523 1.177 35 HG3 PRO 6 1HG PRO 6 -7.734 -8.116 2.840 36 HD2 PRO 6 2HD PRO 6 -7.830 -6.321 0.807 37 HD3 PRO 6 1HD PRO 6 -7.508 -5.856 2.492 38 H ALA 7 H ALA 7 -5.986 -7.584 -0.581 39 HA ALA 7 HA ALA 7 -4.388 -9.583 -1.735 40 HB1 ALA 7 1HB ALA 7 -5.924 -7.307 -3.013 41 HB2 ALA 7 2HB ALA 7 -6.591 -8.873 -2.551 42 HB3 ALA 7 3HB ALA 7 -5.406 -8.767 -3.854 43 H CYS 8 H CYS 8 -4.007 -6.083 -1.693 44 HA CYS 8 HA CYS 8 -1.598 -6.262 -3.418 45 HB2 CYS 8 2HB CYS 8 -3.375 -4.532 -3.759 46 HB3 CYS 8 1HB CYS 8 -3.009 -3.887 -2.159 47 H ILE 9 H ILE 9 -2.547 -5.449 -0.098 48 HA ILE 9 HA ILE 9 0.117 -4.670 0.662 49 HB ILE 9 HB ILE 9 -2.500 -4.543 1.673 50 HG12 ILE 9 2HG1 ILE 9 -1.438 -3.047 3.330 51 HG13 ILE 9 1HG1 ILE 9 0.143 -3.674 2.857 52 HG21 ILE 9 1HG2 ILE 9 -1.951 -6.708 2.870 53 HG22 ILE 9 2HG2 ILE 9 -2.351 -5.364 3.941 54 HG23 ILE 9 3HG2 ILE 9 -0.668 -5.839 3.712 55 HD11 ILE 9 3HD1 ILE 9 -0.965 -1.485 1.708 56 HD12 ILE 9 1HD1 ILE 9 -1.592 -2.740 0.639 57 HD13 ILE 9 2HD1 ILE 9 0.147 -2.557 0.860 58 H MET 10 H MET 10 -1.780 -7.637 0.803 59 HA MET 10 HA MET 10 0.091 -9.159 2.355 60 HB2 MET 10 2HB MET 10 -2.427 -9.502 1.805 61 HB3 MET 10 1HB MET 10 -1.838 -10.254 0.322 62 HG2 MET 10 2HG MET 10 -1.493 -12.161 1.464 63 HG3 MET 10 1HG MET 10 -0.288 -11.323 2.444 64 HE1 MET 10 3HE MET 10 -0.898 -11.479 5.405 65 HE2 MET 10 1HE MET 10 -1.800 -9.958 5.347 66 HE3 MET 10 2HE MET 10 -0.452 -10.230 4.244 67 H ASN 11 H ASN 11 -0.487 -8.739 -1.121 68 HA ASN 11 HA ASN 11 1.782 -10.504 -1.805 69 HB2 ASN 11 2HB ASN 11 0.344 -10.828 -3.526 70 HB3 ASN 11 1HB ASN 11 -0.645 -9.471 -3.009 71 HD21 ASN 11 1HD2 ASN 11 -0.928 -8.154 -4.820 72 HD22 ASN 11 2HD2 ASN 11 0.313 -7.676 -5.877 73 H ASN 12 H ASN 12 0.913 -7.068 -1.830 74 HA ASN 12 HA ASN 12 3.777 -6.448 -2.529 75 HB2 ASN 12 2HB ASN 12 1.141 -5.265 -3.324 76 HB3 ASN 12 1HB ASN 12 2.539 -4.197 -3.225 77 HD21 ASN 12 1HD2 ASN 12 0.883 -5.839 -5.487 78 HD22 ASN 12 2HD2 ASN 12 2.140 -6.315 -6.523 79 HA PRO 13 HA PRO 13 2.730 -4.870 1.728 80 HB2 PRO 13 2HB PRO 13 4.884 -6.015 2.977 81 HB3 PRO 13 1HB PRO 13 3.329 -6.848 2.775 82 HG2 PRO 13 2HG PRO 13 5.845 -7.131 1.208 83 HG3 PRO 13 1HG PRO 13 4.686 -8.369 1.719 84 HD2 PRO 13 2HD PRO 13 4.778 -7.350 -0.806 85 HD3 PRO 13 1HD PRO 13 3.296 -7.990 -0.061 86 H ASP 14 H ASP 14 5.115 -4.558 -0.616 87 HA ASP 14 HA ASP 14 7.209 -3.127 0.586 88 HB2 ASP 14 2HB ASP 14 6.050 -3.580 -2.035 89 HB3 ASP 14 1HB ASP 14 6.671 -1.936 -1.902 90 H TYR 15 H TYR 15 3.924 -2.155 -0.155 91 HA TYR 15 HA TYR 15 4.472 0.707 0.304 92 HB2 TYR 15 2HB TYR 15 2.742 -0.579 -1.263 93 HB3 TYR 15 1HB TYR 15 1.731 -0.484 0.181 94 HD1 TYR 15 1HD TYR 15 4.131 1.767 -1.644 95 HD2 TYR 15 2HD TYR 15 0.307 1.349 0.268 96 HE1 TYR 15 1HE TYR 15 3.616 4.139 -2.153 97 HE2 TYR 15 2HE TYR 15 -0.207 3.722 -0.241 98 HH TYR 15 HH TYR 15 1.717 5.939 -0.787 99 H CYS 16 H CYS 16 2.709 -1.920 1.945 100 HA CYS 16 HA CYS 16 2.528 -0.186 4.384 101 HB2 CYS 16 2HB CYS 16 0.689 -1.773 2.933 102 HB3 CYS 16 1HB CYS 16 0.954 -2.604 4.463 103 HN1 NH2 17 HN1 NH2 17 4.071 -0.741 5.943 104 HN2 NH2 17 HN2 NH2 17 4.669 -2.306 6.219 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -3.206 3.813 1.373 2 H2 GLY 1 2HT GLY 1 -4.801 3.263 1.572 3 H3 GLY 1 3HT GLY 1 -4.505 4.864 1.086 4 HA2 GLY 1 2HA GLY 1 -5.095 3.848 -0.891 5 HA3 GLY 1 1HA GLY 1 -3.331 3.821 -0.922 6 H CYS 2 H CYS 2 -2.252 1.815 -0.331 7 HA CYS 2 HA CYS 2 -3.776 -0.553 -1.182 8 HB2 CYS 2 2HB CYS 2 -0.951 0.265 -0.713 9 HB3 CYS 2 1HB CYS 2 -1.309 -1.455 -0.560 10 H CYS 3 H CYS 3 -2.391 0.747 1.796 11 HA CYS 3 HA CYS 3 -2.405 -1.492 3.464 12 HB2 CYS 3 2HB CYS 3 -2.903 1.450 3.798 13 HB3 CYS 3 1HB CYS 3 -3.111 0.386 5.190 14 H GLU 4 H GLU 4 -5.067 0.318 2.128 15 HA GLU 4 HA GLU 4 -7.080 -0.896 3.914 16 HB2 GLU 4 2HB GLU 4 -6.865 1.427 2.457 17 HB3 GLU 4 1HB GLU 4 -7.899 0.449 1.414 18 HG2 GLU 4 2HG GLU 4 -8.512 0.514 4.341 19 HG3 GLU 4 1HG GLU 4 -8.936 1.924 3.370 20 H ILE 5 H ILE 5 -5.244 -2.103 1.510 21 HA ILE 5 HA ILE 5 -7.364 -4.006 0.614 22 HB ILE 5 HB ILE 5 -5.315 -2.490 -1.035 23 HG12 ILE 5 2HG1 ILE 5 -8.062 -2.434 -1.955 24 HG13 ILE 5 1HG1 ILE 5 -7.961 -1.883 -0.282 25 HG21 ILE 5 1HG2 ILE 5 -5.676 -4.949 -1.650 26 HG22 ILE 5 2HG2 ILE 5 -5.972 -3.769 -2.928 27 HG23 ILE 5 3HG2 ILE 5 -7.329 -4.492 -2.063 28 HD11 ILE 5 3HD1 ILE 5 -7.231 0.103 -1.051 29 HD12 ILE 5 1HD1 ILE 5 -7.126 -0.522 -2.697 30 HD13 ILE 5 2HD1 ILE 5 -5.762 -0.709 -1.594 31 HA PRO 6 HA PRO 6 -4.021 -6.597 2.023 32 HB2 PRO 6 2HB PRO 6 -5.284 -8.988 1.572 33 HB3 PRO 6 1HB PRO 6 -5.630 -7.964 2.980 34 HG2 PRO 6 2HG PRO 6 -7.152 -8.261 0.439 35 HG3 PRO 6 1HG PRO 6 -7.747 -8.075 2.096 36 HD2 PRO 6 2HD PRO 6 -7.682 -6.037 0.287 37 HD3 PRO 6 1HD PRO 6 -7.567 -5.791 2.043 38 H ALA 7 H ALA 7 -5.804 -7.240 -0.987 39 HA ALA 7 HA ALA 7 -4.042 -8.934 -2.326 40 HB1 ALA 7 1HB ALA 7 -5.096 -8.084 -4.307 41 HB2 ALA 7 2HB ALA 7 -5.409 -6.526 -3.543 42 HB3 ALA 7 3HB ALA 7 -6.298 -7.959 -3.024 43 H CYS 8 H CYS 8 -3.693 -5.568 -1.501 44 HA CYS 8 HA CYS 8 -1.218 -5.365 -3.159 45 HB2 CYS 8 2HB CYS 8 -3.106 -3.668 -3.284 46 HB3 CYS 8 1HB CYS 8 -2.712 -3.220 -1.625 47 H ILE 9 H ILE 9 -2.423 -5.009 0.160 48 HA ILE 9 HA ILE 9 0.146 -4.326 1.244 49 HB ILE 9 HB ILE 9 -2.508 -4.272 2.028 50 HG12 ILE 9 2HG1 ILE 9 0.084 -3.823 3.512 51 HG13 ILE 9 1HG1 ILE 9 -0.966 -2.622 2.763 52 HG21 ILE 9 1HG2 ILE 9 -1.038 -6.173 3.876 53 HG22 ILE 9 2HG2 ILE 9 -2.297 -6.667 2.744 54 HG23 ILE 9 3HG2 ILE 9 -2.685 -5.573 4.073 55 HD11 ILE 9 3HD1 ILE 9 -1.708 -4.330 5.159 56 HD12 ILE 9 1HD1 ILE 9 -2.712 -3.077 4.427 57 HD13 ILE 9 2HD1 ILE 9 -1.206 -2.641 5.233 58 H MET 10 H MET 10 -1.722 -7.327 0.986 59 HA MET 10 HA MET 10 0.285 -8.924 2.333 60 HB2 MET 10 2HB MET 10 -2.397 -9.169 1.233 61 HB3 MET 10 1HB MET 10 -1.410 -10.578 0.853 62 HG2 MET 10 2HG MET 10 -1.387 -9.474 3.645 63 HG3 MET 10 1HG MET 10 -2.733 -10.489 3.126 64 HE1 MET 10 3HE MET 10 -1.865 -13.799 3.196 65 HE2 MET 10 1HE MET 10 -2.962 -12.420 3.352 66 HE3 MET 10 2HE MET 10 -2.022 -12.964 4.738 67 H ASN 11 H ASN 11 -0.574 -8.123 -0.994 68 HA ASN 11 HA ASN 11 1.408 -10.017 -2.102 69 HB2 ASN 11 2HB ASN 11 -1.000 -9.192 -2.935 70 HB3 ASN 11 1HB ASN 11 -0.024 -7.940 -3.705 71 HD21 ASN 11 1HD2 ASN 11 -1.438 -10.711 -4.542 72 HD22 ASN 11 2HD2 ASN 11 -0.282 -11.371 -5.593 73 H ASN 12 H ASN 12 1.033 -6.597 -1.388 74 HA ASN 12 HA ASN 12 3.832 -6.155 -2.386 75 HB2 ASN 12 2HB ASN 12 1.630 -4.086 -2.474 76 HB3 ASN 12 1HB ASN 12 3.141 -4.112 -3.380 77 HD21 ASN 12 1HD2 ASN 12 3.138 -6.732 -4.410 78 HD22 ASN 12 2HD2 ASN 12 1.810 -6.932 -5.446 79 HA PRO 13 HA PRO 13 3.413 -4.977 2.054 80 HB2 PRO 13 2HB PRO 13 5.827 -6.035 2.803 81 HB3 PRO 13 1HB PRO 13 4.328 -6.984 2.751 82 HG2 PRO 13 2HG PRO 13 6.556 -6.858 0.780 83 HG3 PRO 13 1HG PRO 13 5.605 -8.250 1.322 84 HD2 PRO 13 2HD PRO 13 5.177 -6.983 -1.048 85 HD3 PRO 13 1HD PRO 13 3.895 -7.820 -0.143 86 H ASP 14 H ASP 14 6.036 -4.675 -0.287 87 HA ASP 14 HA ASP 14 7.676 -2.777 0.975 88 HB2 ASP 14 2HB ASP 14 7.267 -3.932 -1.587 89 HB3 ASP 14 1HB ASP 14 7.345 -2.186 -1.819 90 H TYR 15 H TYR 15 4.562 -2.419 -0.613 91 HA TYR 15 HA TYR 15 4.584 0.496 -0.663 92 HB2 TYR 15 2HB TYR 15 3.260 -1.359 -2.019 93 HB3 TYR 15 1HB TYR 15 2.108 -1.200 -0.692 94 HD1 TYR 15 1HD TYR 15 1.772 1.432 0.016 95 HD2 TYR 15 2HD TYR 15 2.811 -0.049 -3.880 96 HE1 TYR 15 1HE TYR 15 0.877 3.506 -1.011 97 HE2 TYR 15 2HE TYR 15 1.914 2.022 -4.907 98 HH TYR 15 HH TYR 15 -0.086 3.903 -3.804 99 H CYS 16 H CYS 16 3.008 -1.975 1.367 100 HA CYS 16 HA CYS 16 2.445 0.157 3.401 101 HB2 CYS 16 2HB CYS 16 1.019 -2.254 2.369 102 HB3 CYS 16 1HB CYS 16 0.816 -1.880 4.082 103 HN1 NH2 17 HN1 NH2 17 2.514 -3.408 3.761 104 HN2 NH2 17 HN2 NH2 17 3.730 -3.436 4.945 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -3.027 4.008 -3.391 2 H2 GLY 1 2HT GLY 1 -2.568 2.374 -3.474 3 H3 GLY 1 3HT GLY 1 -1.892 3.392 -2.293 4 HA2 GLY 1 2HA GLY 1 -3.669 3.274 -0.934 5 HA3 GLY 1 1HA GLY 1 -4.793 3.171 -2.290 6 H CYS 2 H CYS 2 -2.173 1.248 -0.783 7 HA CYS 2 HA CYS 2 -3.663 -1.222 -1.575 8 HB2 CYS 2 2HB CYS 2 -0.788 -0.580 -0.884 9 HB3 CYS 2 1HB CYS 2 -1.368 -2.240 -1.024 10 H CYS 3 H CYS 3 -2.357 0.562 1.165 11 HA CYS 3 HA CYS 3 -2.435 -1.365 3.195 12 HB2 CYS 3 2HB CYS 3 -2.668 1.573 2.917 13 HB3 CYS 3 1HB CYS 3 -3.304 0.917 4.426 14 H GLU 4 H GLU 4 -5.045 0.303 1.564 15 HA GLU 4 HA GLU 4 -7.093 -0.598 3.483 16 HB2 GLU 4 2HB GLU 4 -6.793 1.465 1.656 17 HB3 GLU 4 1HB GLU 4 -7.926 0.385 0.843 18 HG2 GLU 4 2HG GLU 4 -9.246 0.325 3.017 19 HG3 GLU 4 1HG GLU 4 -8.216 1.641 3.581 20 H ILE 5 H ILE 5 -5.292 -2.201 1.291 21 HA ILE 5 HA ILE 5 -7.462 -4.172 0.730 22 HB ILE 5 HB ILE 5 -5.586 -2.800 -1.215 23 HG12 ILE 5 2HG1 ILE 5 -8.281 -3.094 -2.124 24 HG13 ILE 5 1HG1 ILE 5 -8.330 -2.476 -0.472 25 HG21 ILE 5 1HG2 ILE 5 -5.667 -5.322 -1.501 26 HG22 ILE 5 2HG2 ILE 5 -6.212 -4.391 -2.896 27 HG23 ILE 5 3HG2 ILE 5 -7.391 -5.150 -1.825 28 HD11 ILE 5 3HD1 ILE 5 -6.803 -0.665 -1.065 29 HD12 ILE 5 1HD1 ILE 5 -8.184 -0.650 -2.160 30 HD13 ILE 5 2HD1 ILE 5 -6.639 -1.307 -2.700 31 HA PRO 6 HA PRO 6 -4.054 -6.609 2.246 32 HB2 PRO 6 2HB PRO 6 -5.321 -9.035 2.091 33 HB3 PRO 6 1HB PRO 6 -5.615 -7.869 3.398 34 HG2 PRO 6 2HG PRO 6 -7.229 -8.424 0.957 35 HG3 PRO 6 1HG PRO 6 -7.764 -8.077 2.610 36 HD2 PRO 6 2HD PRO 6 -7.787 -6.225 0.616 37 HD3 PRO 6 1HD PRO 6 -7.587 -5.808 2.333 38 H ALA 7 H ALA 7 -5.836 -7.266 -0.730 39 HA ALA 7 HA ALA 7 -4.184 -9.221 -1.901 40 HB1 ALA 7 1HB ALA 7 -6.226 -8.676 -2.958 41 HB2 ALA 7 2HB ALA 7 -5.012 -8.004 -4.046 42 HB3 ALA 7 3HB ALA 7 -5.873 -6.949 -2.926 43 H CYS 8 H CYS 8 -3.857 -5.708 -1.748 44 HA CYS 8 HA CYS 8 -1.339 -5.778 -3.307 45 HB2 CYS 8 2HB CYS 8 -3.253 -4.055 -3.473 46 HB3 CYS 8 1HB CYS 8 -2.651 -3.421 -1.941 47 H ILE 9 H ILE 9 -2.479 -5.228 -0.002 48 HA ILE 9 HA ILE 9 0.089 -4.417 1.003 49 HB ILE 9 HB ILE 9 -2.543 -4.349 1.818 50 HG12 ILE 9 2HG1 ILE 9 0.016 -3.902 3.367 51 HG13 ILE 9 1HG1 ILE 9 -0.928 -2.704 2.479 52 HG21 ILE 9 1HG2 ILE 9 -2.239 -6.756 2.601 53 HG22 ILE 9 2HG2 ILE 9 -2.798 -5.620 3.828 54 HG23 ILE 9 3HG2 ILE 9 -1.109 -6.127 3.800 55 HD11 ILE 9 3HD1 ILE 9 -2.837 -3.122 4.042 56 HD12 ILE 9 1HD1 ILE 9 -1.411 -2.477 4.854 57 HD13 ILE 9 2HD1 ILE 9 -1.793 -4.194 4.974 58 H MET 10 H MET 10 -1.700 -7.462 0.879 59 HA MET 10 HA MET 10 0.272 -8.976 2.345 60 HB2 MET 10 2HB MET 10 -2.314 -9.298 1.855 61 HB3 MET 10 1HB MET 10 -1.707 -10.178 0.452 62 HG2 MET 10 2HG MET 10 -0.285 -11.551 1.986 63 HG3 MET 10 1HG MET 10 -1.039 -10.736 3.357 64 HE1 MET 10 3HE MET 10 -1.110 -13.662 3.483 65 HE2 MET 10 1HE MET 10 -2.810 -14.046 3.783 66 HE3 MET 10 2HE MET 10 -2.068 -12.649 4.559 67 H ASN 11 H ASN 11 -0.442 -8.348 -1.057 68 HA ASN 11 HA ASN 11 1.725 -10.182 -1.933 69 HB2 ASN 11 2HB ASN 11 -0.189 -8.417 -3.497 70 HB3 ASN 11 1HB ASN 11 0.788 -9.734 -4.148 71 HD21 ASN 11 1HD2 ASN 11 -0.938 -11.148 -4.757 72 HD22 ASN 11 2HD2 ASN 11 -2.014 -11.829 -3.635 73 H ASN 12 H ASN 12 1.035 -6.766 -1.521 74 HA ASN 12 HA ASN 12 3.778 -6.157 -2.590 75 HB2 ASN 12 2HB ASN 12 1.112 -5.148 -3.271 76 HB3 ASN 12 1HB ASN 12 2.250 -3.855 -2.886 77 HD21 ASN 12 1HD2 ASN 12 1.307 -6.098 -5.327 78 HD22 ASN 12 2HD2 ASN 12 2.606 -5.831 -6.386 79 HA PRO 13 HA PRO 13 3.220 -4.712 1.800 80 HB2 PRO 13 2HB PRO 13 5.481 -5.908 2.776 81 HB3 PRO 13 1HB PRO 13 3.906 -6.726 2.712 82 HG2 PRO 13 2HG PRO 13 6.243 -6.977 0.888 83 HG3 PRO 13 1HG PRO 13 5.127 -8.221 1.471 84 HD2 PRO 13 2HD PRO 13 4.979 -7.106 -1.016 85 HD3 PRO 13 1HD PRO 13 3.577 -7.775 -0.153 86 H ASP 14 H ASP 14 5.525 -4.497 -0.714 87 HA ASP 14 HA ASP 14 7.636 -3.005 0.371 88 HB2 ASP 14 2HB ASP 14 6.832 -3.883 -2.083 89 HB3 ASP 14 1HB ASP 14 6.563 -2.148 -2.251 90 H TYR 15 H TYR 15 4.332 -2.079 -0.332 91 HA TYR 15 HA TYR 15 4.914 0.796 0.150 92 HB2 TYR 15 2HB TYR 15 3.377 -0.321 -1.666 93 HB3 TYR 15 1HB TYR 15 2.209 -0.420 -0.347 94 HD1 TYR 15 1HD TYR 15 4.710 2.117 -1.548 95 HD2 TYR 15 2HD TYR 15 0.671 1.319 -0.324 96 HE1 TYR 15 1HE TYR 15 4.141 4.511 -1.866 97 HE2 TYR 15 2HE TYR 15 0.102 3.712 -0.642 98 HH TYR 15 HH TYR 15 1.172 5.663 -2.202 99 H CYS 16 H CYS 16 2.920 -1.837 1.484 100 HA CYS 16 HA CYS 16 2.560 -0.206 3.976 101 HB2 CYS 16 2HB CYS 16 0.947 -2.371 2.608 102 HB3 CYS 16 1HB CYS 16 0.600 -1.837 4.254 103 HN1 NH2 17 HN1 NH2 17 5.015 -1.444 3.968 104 HN2 NH2 17 HN2 NH2 17 5.005 -2.855 4.913 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -6.126 2.022 -0.746 2 H2 GLY 1 2HT GLY 1 -7.057 1.509 -2.071 3 H3 GLY 1 3HT GLY 1 -6.730 3.162 -1.846 4 HA2 GLY 1 2HA GLY 1 -5.354 2.205 -3.608 5 HA3 GLY 1 1HA GLY 1 -4.394 2.810 -2.257 6 H CYS 2 H CYS 2 -3.638 1.217 -0.664 7 HA CYS 2 HA CYS 2 -3.711 -1.620 -1.572 8 HB2 CYS 2 2HB CYS 2 -1.346 0.228 -1.338 9 HB3 CYS 2 1HB CYS 2 -1.133 -1.508 -1.112 10 H CYS 3 H CYS 3 -2.786 0.730 0.919 11 HA CYS 3 HA CYS 3 -2.159 -1.089 2.996 12 HB2 CYS 3 2HB CYS 3 -2.242 1.648 2.577 13 HB3 CYS 3 1HB CYS 3 -3.479 1.396 3.810 14 H GLU 4 H GLU 4 -5.233 0.401 2.047 15 HA GLU 4 HA GLU 4 -6.704 -0.969 4.194 16 HB2 GLU 4 2HB GLU 4 -8.554 0.289 3.347 17 HB3 GLU 4 1HB GLU 4 -7.154 1.344 3.158 18 HG2 GLU 4 2HG GLU 4 -6.961 0.779 0.814 19 HG3 GLU 4 1HG GLU 4 -8.209 -0.459 0.963 20 H ILE 5 H ILE 5 -5.259 -2.123 1.546 21 HA ILE 5 HA ILE 5 -7.395 -4.157 1.046 22 HB ILE 5 HB ILE 5 -5.643 -2.623 -0.896 23 HG12 ILE 5 2HG1 ILE 5 -8.453 -2.847 -1.546 24 HG13 ILE 5 1HG1 ILE 5 -8.263 -2.222 0.093 25 HG21 ILE 5 1HG2 ILE 5 -5.617 -4.521 -2.121 26 HG22 ILE 5 2HG2 ILE 5 -7.337 -4.230 -2.384 27 HG23 ILE 5 3HG2 ILE 5 -6.811 -5.300 -1.084 28 HD11 ILE 5 3HD1 ILE 5 -7.972 -0.219 -0.951 29 HD12 ILE 5 1HD1 ILE 5 -7.560 -0.974 -2.490 30 HD13 ILE 5 2HD1 ILE 5 -6.334 -0.809 -1.232 31 HA PRO 6 HA PRO 6 -3.812 -6.577 2.188 32 HB2 PRO 6 2HB PRO 6 -5.079 -9.007 2.089 33 HB3 PRO 6 1HB PRO 6 -5.230 -7.890 3.462 34 HG2 PRO 6 2HG PRO 6 -7.098 -8.351 1.185 35 HG3 PRO 6 1HG PRO 6 -7.455 -8.098 2.902 36 HD2 PRO 6 2HD PRO 6 -7.717 -6.139 1.047 37 HD3 PRO 6 1HD PRO 6 -7.280 -5.810 2.739 38 H ALA 7 H ALA 7 -5.920 -7.157 -0.586 39 HA ALA 7 HA ALA 7 -4.441 -9.054 -2.022 40 HB1 ALA 7 1HB ALA 7 -6.656 -7.521 -2.414 41 HB2 ALA 7 2HB ALA 7 -5.889 -8.458 -3.697 42 HB3 ALA 7 3HB ALA 7 -5.528 -6.741 -3.521 43 H CYS 8 H CYS 8 -3.901 -5.611 -1.556 44 HA CYS 8 HA CYS 8 -1.505 -5.703 -3.331 45 HB2 CYS 8 2HB CYS 8 -3.333 -3.953 -3.538 46 HB3 CYS 8 1HB CYS 8 -2.841 -3.355 -1.953 47 H ILE 9 H ILE 9 -2.494 -5.085 0.016 48 HA ILE 9 HA ILE 9 0.165 -4.361 0.871 49 HB ILE 9 HB ILE 9 -2.457 -4.212 1.823 50 HG12 ILE 9 2HG1 ILE 9 -0.654 -2.548 2.104 51 HG13 ILE 9 1HG1 ILE 9 -1.448 -2.907 3.638 52 HG21 ILE 9 1HG2 ILE 9 -2.461 -5.244 4.004 53 HG22 ILE 9 2HG2 ILE 9 -0.790 -5.777 3.810 54 HG23 ILE 9 3HG2 ILE 9 -2.065 -6.501 2.831 55 HD11 ILE 9 3HD1 ILE 9 1.323 -3.232 2.932 56 HD12 ILE 9 1HD1 ILE 9 0.639 -4.801 3.353 57 HD13 ILE 9 2HD1 ILE 9 0.551 -3.465 4.501 58 H MET 10 H MET 10 -1.828 -7.273 0.937 59 HA MET 10 HA MET 10 0.022 -8.912 2.384 60 HB2 MET 10 2HB MET 10 -2.500 -9.182 1.984 61 HB3 MET 10 1HB MET 10 -2.064 -9.801 0.390 62 HG2 MET 10 2HG MET 10 -0.774 -10.943 2.857 63 HG3 MET 10 1HG MET 10 -2.371 -11.497 2.354 64 HE1 MET 10 3HE MET 10 0.424 -14.148 1.400 65 HE2 MET 10 1HE MET 10 -0.475 -13.448 2.752 66 HE3 MET 10 2HE MET 10 1.073 -12.760 2.268 67 H ASN 11 H ASN 11 -0.594 -8.341 -1.070 68 HA ASN 11 HA ASN 11 1.603 -10.198 -1.813 69 HB2 ASN 11 2HB ASN 11 -0.805 -9.052 -2.995 70 HB3 ASN 11 1HB ASN 11 0.578 -8.903 -4.080 71 HD21 ASN 11 1HD2 ASN 11 -1.573 -10.696 -4.680 72 HD22 ASN 11 2HD2 ASN 11 -0.993 -12.287 -4.567 73 H ASN 12 H ASN 12 0.830 -6.773 -1.651 74 HA ASN 12 HA ASN 12 3.647 -6.154 -2.492 75 HB2 ASN 12 2HB ASN 12 1.338 -4.269 -2.922 76 HB3 ASN 12 1HB ASN 12 2.845 -4.396 -3.822 77 HD21 ASN 12 1HD2 ASN 12 2.792 -5.623 -5.724 78 HD22 ASN 12 2HD2 ASN 12 1.516 -6.647 -6.173 79 HA PRO 13 HA PRO 13 2.458 -4.471 1.727 80 HB2 PRO 13 2HB PRO 13 4.425 -5.753 3.138 81 HB3 PRO 13 1HB PRO 13 2.820 -6.456 2.856 82 HG2 PRO 13 2HG PRO 13 5.395 -6.999 1.465 83 HG3 PRO 13 1HG PRO 13 4.101 -8.117 1.927 84 HD2 PRO 13 2HD PRO 13 4.444 -7.182 -0.610 85 HD3 PRO 13 1HD PRO 13 2.867 -7.672 0.050 86 H ASP 14 H ASP 14 5.232 -4.615 -0.312 87 HA ASP 14 HA ASP 14 7.203 -3.177 1.046 88 HB2 ASP 14 2HB ASP 14 6.302 -3.605 -1.735 89 HB3 ASP 14 1HB ASP 14 7.281 -2.157 -1.501 90 H TYR 15 H TYR 15 4.088 -2.153 -0.081 91 HA TYR 15 HA TYR 15 4.684 0.732 0.175 92 HB2 TYR 15 2HB TYR 15 3.040 -0.740 -1.401 93 HB3 TYR 15 1HB TYR 15 1.917 -0.327 -0.106 94 HD1 TYR 15 1HD TYR 15 1.407 2.042 0.417 95 HD2 TYR 15 2HD TYR 15 3.903 0.945 -2.904 96 HE1 TYR 15 1HE TYR 15 1.141 4.316 -0.536 97 HE2 TYR 15 2HE TYR 15 3.637 3.220 -3.854 98 HH TYR 15 HH TYR 15 3.096 5.567 -2.877 99 H CYS 16 H CYS 16 3.084 -1.862 1.952 100 HA CYS 16 HA CYS 16 2.839 -0.032 4.300 101 HB2 CYS 16 2HB CYS 16 0.726 -1.470 2.756 102 HB3 CYS 16 1HB CYS 16 0.542 -1.419 4.510 103 HN1 NH2 17 HN1 NH2 17 3.189 -1.151 6.307 104 HN2 NH2 17 HN2 NH2 17 3.563 -2.805 6.397 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -5.706 3.552 -0.059 2 H2 GLY 1 2HT GLY 1 -6.398 2.188 -0.801 3 H3 GLY 1 3HT GLY 1 -6.077 3.586 -1.713 4 HA2 GLY 1 2HA GLY 1 -4.177 2.608 -2.298 5 HA3 GLY 1 1HA GLY 1 -3.647 2.999 -0.661 6 H CYS 2 H CYS 2 -2.403 0.860 -1.432 7 HA CYS 2 HA CYS 2 -3.741 -1.659 -1.377 8 HB2 CYS 2 2HB CYS 2 -0.934 -0.825 -0.586 9 HB3 CYS 2 1HB CYS 2 -1.430 -2.488 -0.897 10 H CYS 3 H CYS 3 -2.413 0.350 1.224 11 HA CYS 3 HA CYS 3 -2.519 -1.423 3.377 12 HB2 CYS 3 2HB CYS 3 -3.007 1.524 3.002 13 HB3 CYS 3 1HB CYS 3 -3.196 0.806 4.601 14 H GLU 4 H GLU 4 -5.100 0.262 1.704 15 HA GLU 4 HA GLU 4 -7.174 -0.587 3.613 16 HB2 GLU 4 2HB GLU 4 -6.923 1.017 1.101 17 HB3 GLU 4 1HB GLU 4 -8.516 0.372 1.499 18 HG2 GLU 4 2HG GLU 4 -8.754 1.721 3.334 19 HG3 GLU 4 1HG GLU 4 -7.034 1.666 3.725 20 H ILE 5 H ILE 5 -5.378 -2.259 1.458 21 HA ILE 5 HA ILE 5 -7.570 -4.209 0.935 22 HB ILE 5 HB ILE 5 -5.807 -2.770 -1.049 23 HG12 ILE 5 2HG1 ILE 5 -8.448 -3.219 -1.970 24 HG13 ILE 5 1HG1 ILE 5 -8.589 -2.743 -0.277 25 HG21 ILE 5 1HG2 ILE 5 -5.583 -4.658 -2.248 26 HG22 ILE 5 2HG2 ILE 5 -7.339 -4.715 -2.404 27 HG23 ILE 5 3HG2 ILE 5 -6.543 -5.561 -1.076 28 HD11 ILE 5 3HD1 ILE 5 -6.664 -1.011 -1.230 29 HD12 ILE 5 1HD1 ILE 5 -8.373 -0.624 -1.030 30 HD13 ILE 5 2HD1 ILE 5 -7.767 -1.155 -2.599 31 HA PRO 6 HA PRO 6 -4.188 -6.730 2.325 32 HB2 PRO 6 2HB PRO 6 -5.446 -9.143 2.010 33 HB3 PRO 6 1HB PRO 6 -5.768 -8.051 3.373 34 HG2 PRO 6 2HG PRO 6 -7.325 -8.451 0.862 35 HG3 PRO 6 1HG PRO 6 -7.902 -8.230 2.522 36 HD2 PRO 6 2HD PRO 6 -7.905 -6.232 0.691 37 HD3 PRO 6 1HD PRO 6 -7.694 -5.943 2.433 38 H ALA 7 H ALA 7 -5.988 -7.533 -0.644 39 HA ALA 7 HA ALA 7 -4.210 -9.301 -1.866 40 HB1 ALA 7 1HB ALA 7 -5.077 -7.819 -3.958 41 HB2 ALA 7 2HB ALA 7 -6.193 -7.257 -2.713 42 HB3 ALA 7 3HB ALA 7 -6.111 -8.972 -3.115 43 H CYS 8 H CYS 8 -4.072 -5.787 -1.614 44 HA CYS 8 HA CYS 8 -1.570 -5.693 -3.199 45 HB2 CYS 8 2HB CYS 8 -3.618 -4.040 -3.149 46 HB3 CYS 8 1HB CYS 8 -2.805 -3.378 -1.731 47 H ILE 9 H ILE 9 -2.654 -5.294 0.156 48 HA ILE 9 HA ILE 9 -0.095 -4.431 1.110 49 HB ILE 9 HB ILE 9 -2.673 -4.488 2.025 50 HG12 ILE 9 2HG1 ILE 9 -0.060 -4.104 3.497 51 HG13 ILE 9 1HG1 ILE 9 -1.098 -2.868 2.786 52 HG21 ILE 9 1HG2 ILE 9 -1.191 -6.345 3.884 53 HG22 ILE 9 2HG2 ILE 9 -2.230 -6.966 2.601 54 HG23 ILE 9 3HG2 ILE 9 -2.909 -5.948 3.872 55 HD11 ILE 9 3HD1 ILE 9 -1.267 -4.139 5.413 56 HD12 ILE 9 1HD1 ILE 9 -2.797 -4.205 4.536 57 HD13 ILE 9 2HD1 ILE 9 -2.019 -2.651 4.838 58 H MET 10 H MET 10 -1.658 -7.597 0.803 59 HA MET 10 HA MET 10 0.454 -9.025 2.170 60 HB2 MET 10 2HB MET 10 -2.141 -9.516 1.047 61 HB3 MET 10 1HB MET 10 -1.013 -10.718 0.426 62 HG2 MET 10 2HG MET 10 -0.273 -11.172 2.767 63 HG3 MET 10 1HG MET 10 -1.508 -10.050 3.343 64 HE1 MET 10 3HE MET 10 -2.211 -14.040 3.816 65 HE2 MET 10 1HE MET 10 -0.984 -12.822 4.196 66 HE3 MET 10 2HE MET 10 -0.839 -13.796 2.736 67 H ASN 11 H ASN 11 -0.398 -8.316 -1.191 68 HA ASN 11 HA ASN 11 1.888 -9.854 -2.238 69 HB2 ASN 11 2HB ASN 11 -0.603 -9.214 -3.149 70 HB3 ASN 11 1HB ASN 11 0.365 -7.980 -3.956 71 HD21 ASN 11 1HD2 ASN 11 -0.962 -10.412 -5.145 72 HD22 ASN 11 2HD2 ASN 11 0.288 -11.278 -5.898 73 H ASN 12 H ASN 12 0.955 -6.482 -1.679 74 HA ASN 12 HA ASN 12 3.743 -5.680 -2.492 75 HB2 ASN 12 2HB ASN 12 1.027 -4.456 -2.910 76 HB3 ASN 12 1HB ASN 12 2.439 -3.404 -2.827 77 HD21 ASN 12 1HD2 ASN 12 0.759 -5.755 -4.801 78 HD22 ASN 12 2HD2 ASN 12 1.821 -5.695 -6.123 79 HA PRO 13 HA PRO 13 2.944 -4.768 2.005 80 HB2 PRO 13 2HB PRO 13 5.202 -6.000 2.940 81 HB3 PRO 13 1HB PRO 13 3.663 -6.851 2.709 82 HG2 PRO 13 2HG PRO 13 6.081 -6.812 0.975 83 HG3 PRO 13 1HG PRO 13 4.989 -8.151 1.362 84 HD2 PRO 13 2HD PRO 13 4.898 -6.765 -0.985 85 HD3 PRO 13 1HD PRO 13 3.486 -7.567 -0.261 86 H ASP 14 H ASP 14 5.703 -4.484 -0.147 87 HA ASP 14 HA ASP 14 7.451 -2.854 1.302 88 HB2 ASP 14 2HB ASP 14 8.234 -2.168 -0.872 89 HB3 ASP 14 1HB ASP 14 7.651 -3.824 -1.046 90 H TYR 15 H TYR 15 4.376 -2.100 -0.206 91 HA TYR 15 HA TYR 15 4.605 0.794 0.167 92 HB2 TYR 15 2HB TYR 15 3.053 -1.030 -1.302 93 HB3 TYR 15 1HB TYR 15 1.922 -0.281 -0.175 94 HD1 TYR 15 1HD TYR 15 2.924 2.416 0.167 95 HD2 TYR 15 2HD TYR 15 2.781 0.008 -3.388 96 HE1 TYR 15 1HE TYR 15 2.893 4.469 -1.222 97 HE2 TYR 15 2HE TYR 15 2.751 2.062 -4.777 98 HH TYR 15 HH TYR 15 3.685 4.680 -4.207 99 H CYS 16 H CYS 16 2.761 -1.851 1.694 100 HA CYS 16 HA CYS 16 2.123 -0.029 3.979 101 HB2 CYS 16 2HB CYS 16 0.932 -2.610 2.922 102 HB3 CYS 16 1HB CYS 16 0.396 -1.835 4.415 103 HN1 NH2 17 HN1 NH2 17 4.496 -0.488 4.716 104 HN2 NH2 17 HN2 NH2 17 4.769 -1.903 5.613 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -2.640 2.813 -3.033 2 H2 GLY 1 2HT GLY 1 -1.754 3.831 -2.000 3 H3 GLY 1 3HT GLY 1 -3.078 4.444 -2.870 4 HA2 GLY 1 2HA GLY 1 -3.146 3.546 -0.307 5 HA3 GLY 1 1HA GLY 1 -4.547 3.776 -1.356 6 H CYS 2 H CYS 2 -2.060 1.374 -0.489 7 HA CYS 2 HA CYS 2 -3.887 -0.790 -1.441 8 HB2 CYS 2 2HB CYS 2 -0.945 -0.461 -0.925 9 HB3 CYS 2 1HB CYS 2 -1.642 -2.080 -0.920 10 H CYS 3 H CYS 3 -2.624 0.685 1.430 11 HA CYS 3 HA CYS 3 -2.640 -1.405 3.297 12 HB2 CYS 3 2HB CYS 3 -3.152 1.544 3.310 13 HB3 CYS 3 1HB CYS 3 -3.490 0.641 4.784 14 H GLU 4 H GLU 4 -5.293 0.188 1.692 15 HA GLU 4 HA GLU 4 -7.326 -0.850 3.562 16 HB2 GLU 4 2HB GLU 4 -7.083 1.059 1.360 17 HB3 GLU 4 1HB GLU 4 -8.551 0.088 1.237 18 HG2 GLU 4 2HG GLU 4 -9.179 0.686 3.523 19 HG3 GLU 4 1HG GLU 4 -7.678 1.590 3.723 20 H ILE 5 H ILE 5 -5.426 -2.280 1.317 21 HA ILE 5 HA ILE 5 -7.501 -4.327 0.663 22 HB ILE 5 HB ILE 5 -5.550 -2.948 -1.212 23 HG12 ILE 5 2HG1 ILE 5 -8.317 -2.992 -2.038 24 HG13 ILE 5 1HG1 ILE 5 -8.188 -2.304 -0.420 25 HG21 ILE 5 1HG2 ILE 5 -5.890 -5.446 -1.568 26 HG22 ILE 5 2HG2 ILE 5 -6.315 -4.416 -2.935 27 HG23 ILE 5 3HG2 ILE 5 -7.582 -5.076 -1.901 28 HD11 ILE 5 3HD1 ILE 5 -6.134 -1.386 -2.341 29 HD12 ILE 5 1HD1 ILE 5 -7.053 -0.467 -1.150 30 HD13 ILE 5 2HD1 ILE 5 -7.783 -0.874 -2.703 31 HA PRO 6 HA PRO 6 -4.019 -6.654 2.207 32 HB2 PRO 6 2HB PRO 6 -5.232 -9.110 2.083 33 HB3 PRO 6 1HB PRO 6 -5.540 -7.943 3.386 34 HG2 PRO 6 2HG PRO 6 -7.170 -8.555 0.971 35 HG3 PRO 6 1HG PRO 6 -7.691 -8.200 2.626 36 HD2 PRO 6 2HD PRO 6 -7.771 -6.374 0.604 37 HD3 PRO 6 1HD PRO 6 -7.577 -5.933 2.315 38 H ALA 7 H ALA 7 -5.847 -7.422 -0.725 39 HA ALA 7 HA ALA 7 -4.136 -9.312 -1.912 40 HB1 ALA 7 1HB ALA 7 -5.113 -7.423 -3.845 41 HB2 ALA 7 2HB ALA 7 -6.336 -7.645 -2.594 42 HB3 ALA 7 3HB ALA 7 -5.728 -9.038 -3.491 43 H CYS 8 H CYS 8 -3.894 -5.807 -1.672 44 HA CYS 8 HA CYS 8 -1.417 -5.774 -3.305 45 HB2 CYS 8 2HB CYS 8 -3.342 -4.113 -3.497 46 HB3 CYS 8 1HB CYS 8 -2.870 -3.510 -1.909 47 H ILE 9 H ILE 9 -2.528 -5.212 0.016 48 HA ILE 9 HA ILE 9 0.053 -4.389 0.978 49 HB ILE 9 HB ILE 9 -2.576 -4.321 1.824 50 HG12 ILE 9 2HG1 ILE 9 -0.822 -2.709 2.391 51 HG13 ILE 9 1HG1 ILE 9 -1.656 -3.240 3.850 52 HG21 ILE 9 1HG2 ILE 9 -1.103 -6.031 3.836 53 HG22 ILE 9 2HG2 ILE 9 -2.210 -6.718 2.649 54 HG23 ILE 9 3HG2 ILE 9 -2.804 -5.567 3.844 55 HD11 ILE 9 3HD1 ILE 9 1.122 -3.840 2.934 56 HD12 ILE 9 1HD1 ILE 9 0.263 -5.093 3.829 57 HD13 ILE 9 2HD1 ILE 9 0.524 -3.511 4.560 58 H MET 10 H MET 10 -1.732 -7.429 0.867 59 HA MET 10 HA MET 10 0.194 -8.960 2.358 60 HB2 MET 10 2HB MET 10 -2.356 -9.294 1.834 61 HB3 MET 10 1HB MET 10 -1.759 -10.079 0.371 62 HG2 MET 10 2HG MET 10 -0.352 -10.941 2.797 63 HG3 MET 10 1HG MET 10 -2.075 -11.315 2.824 64 HE1 MET 10 3HE MET 10 -1.002 -13.436 3.238 65 HE2 MET 10 1HE MET 10 0.518 -13.786 2.406 66 HE3 MET 10 2HE MET 10 -0.945 -14.672 1.985 67 H ASN 11 H ASN 11 -0.417 -8.353 -1.080 68 HA ASN 11 HA ASN 11 1.848 -10.127 -1.838 69 HB2 ASN 11 2HB ASN 11 -0.212 -8.570 -3.435 70 HB3 ASN 11 1HB ASN 11 0.955 -9.698 -4.123 71 HD21 ASN 11 1HD2 ASN 11 -2.186 -9.698 -3.634 72 HD22 ASN 11 2HD2 ASN 11 -2.454 -11.264 -3.034 73 H ASN 12 H ASN 12 0.991 -6.740 -1.551 74 HA ASN 12 HA ASN 12 3.728 -6.034 -2.572 75 HB2 ASN 12 2HB ASN 12 1.279 -4.285 -2.870 76 HB3 ASN 12 1HB ASN 12 2.791 -4.214 -3.773 77 HD21 ASN 12 1HD2 ASN 12 3.041 -7.034 -4.361 78 HD22 ASN 12 2HD2 ASN 12 1.796 -7.453 -5.437 79 HA PRO 13 HA PRO 13 2.695 -4.374 1.704 80 HB2 PRO 13 2HB PRO 13 4.638 -5.737 3.069 81 HB3 PRO 13 1HB PRO 13 3.001 -6.377 2.819 82 HG2 PRO 13 2HG PRO 13 5.523 -7.015 1.374 83 HG3 PRO 13 1HG PRO 13 4.198 -8.084 1.858 84 HD2 PRO 13 2HD PRO 13 4.527 -7.149 -0.682 85 HD3 PRO 13 1HD PRO 13 2.948 -7.589 0.005 86 H ASP 14 H ASP 14 5.304 -4.549 -0.475 87 HA ASP 14 HA ASP 14 7.426 -3.252 0.823 88 HB2 ASP 14 2HB ASP 14 8.025 -2.549 -1.481 89 HB3 ASP 14 1HB ASP 14 7.468 -4.223 -1.450 90 H TYR 15 H TYR 15 4.333 -2.023 -0.213 91 HA TYR 15 HA TYR 15 5.188 0.799 0.168 92 HB2 TYR 15 2HB TYR 15 3.694 -0.274 -1.726 93 HB3 TYR 15 1HB TYR 15 2.414 -0.122 -0.521 94 HD1 TYR 15 1HD TYR 15 1.812 2.114 0.399 95 HD2 TYR 15 2HD TYR 15 4.632 1.661 -2.809 96 HE1 TYR 15 1HE TYR 15 1.593 4.526 -0.133 97 HE2 TYR 15 2HE TYR 15 4.413 4.074 -3.343 98 HH TYR 15 HH TYR 15 1.973 5.952 -2.387 99 H CYS 16 H CYS 16 2.764 -1.508 1.412 100 HA CYS 16 HA CYS 16 2.152 0.340 3.662 101 HB2 CYS 16 2HB CYS 16 0.935 -2.063 2.351 102 HB3 CYS 16 1HB CYS 16 0.507 -1.725 4.029 103 HN1 NH2 17 HN1 NH2 17 4.658 -0.370 4.238 104 HN2 NH2 17 HN2 NH2 17 4.763 -1.667 5.328 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -2.850 3.174 -4.217 2 H2 GLY 1 2HT GLY 1 -4.498 3.401 -3.875 3 H3 GLY 1 3HT GLY 1 -3.918 1.860 -4.292 4 HA2 GLY 1 2HA GLY 1 -2.512 2.920 -2.053 5 HA3 GLY 1 1HA GLY 1 -4.249 2.840 -1.758 6 H CYS 2 H CYS 2 -2.585 1.160 -0.325 7 HA CYS 2 HA CYS 2 -3.407 -1.496 -1.397 8 HB2 CYS 2 2HB CYS 2 -0.634 -0.595 -0.582 9 HB3 CYS 2 1HB CYS 2 -1.075 -2.296 -0.736 10 H CYS 3 H CYS 3 -2.159 0.401 1.334 11 HA CYS 3 HA CYS 3 -2.350 -1.479 3.400 12 HB2 CYS 3 2HB CYS 3 -2.673 1.489 3.127 13 HB3 CYS 3 1HB CYS 3 -3.046 0.746 4.681 14 H GLU 4 H GLU 4 -4.855 0.238 1.671 15 HA GLU 4 HA GLU 4 -6.986 -0.576 3.542 16 HB2 GLU 4 2HB GLU 4 -6.595 1.507 1.819 17 HB3 GLU 4 1HB GLU 4 -7.596 0.450 0.825 18 HG2 GLU 4 2HG GLU 4 -9.307 0.364 2.555 19 HG3 GLU 4 1HG GLU 4 -8.290 1.304 3.650 20 H ILE 5 H ILE 5 -5.161 -2.206 1.348 21 HA ILE 5 HA ILE 5 -7.354 -4.148 0.776 22 HB ILE 5 HB ILE 5 -5.457 -2.822 -1.185 23 HG12 ILE 5 2HG1 ILE 5 -8.172 -2.961 -2.058 24 HG13 ILE 5 1HG1 ILE 5 -8.173 -2.356 -0.403 25 HG21 ILE 5 1HG2 ILE 5 -6.643 -5.478 -1.214 26 HG22 ILE 5 2HG2 ILE 5 -5.457 -4.772 -2.311 27 HG23 ILE 5 3HG2 ILE 5 -7.180 -4.513 -2.589 28 HD11 ILE 5 3HD1 ILE 5 -7.219 -1.066 -2.857 29 HD12 ILE 5 1HD1 ILE 5 -6.052 -0.998 -1.537 30 HD13 ILE 5 2HD1 ILE 5 -7.675 -0.344 -1.314 31 HA PRO 6 HA PRO 6 -3.969 -6.672 2.186 32 HB2 PRO 6 2HB PRO 6 -5.259 -9.078 1.937 33 HB3 PRO 6 1HB PRO 6 -5.546 -7.961 3.287 34 HG2 PRO 6 2HG PRO 6 -7.163 -8.410 0.827 35 HG3 PRO 6 1HG PRO 6 -7.695 -8.117 2.490 36 HD2 PRO 6 2HD PRO 6 -7.693 -6.195 0.559 37 HD3 PRO 6 1HD PRO 6 -7.502 -5.842 2.291 38 H ALA 7 H ALA 7 -5.814 -7.311 -0.772 39 HA ALA 7 HA ALA 7 -4.194 -9.188 -2.059 40 HB1 ALA 7 1HB ALA 7 -5.874 -6.852 -2.918 41 HB2 ALA 7 2HB ALA 7 -6.174 -8.576 -3.146 42 HB3 ALA 7 3HB ALA 7 -4.965 -7.753 -4.131 43 H CYS 8 H CYS 8 -3.654 -5.782 -1.464 44 HA CYS 8 HA CYS 8 -1.152 -5.852 -3.091 45 HB2 CYS 8 2HB CYS 8 -2.996 -4.066 -3.301 46 HB3 CYS 8 1HB CYS 8 -2.442 -3.477 -1.733 47 H ILE 9 H ILE 9 -2.369 -5.326 0.190 48 HA ILE 9 HA ILE 9 0.211 -4.612 1.245 49 HB ILE 9 HB ILE 9 -2.432 -4.412 2.008 50 HG12 ILE 9 2HG1 ILE 9 0.125 -4.077 3.594 51 HG13 ILE 9 1HG1 ILE 9 -0.764 -2.840 2.706 52 HG21 ILE 9 1HG2 ILE 9 -2.124 -6.867 2.809 53 HG22 ILE 9 2HG2 ILE 9 -2.865 -5.715 3.918 54 HG23 ILE 9 3HG2 ILE 9 -1.170 -6.161 4.112 55 HD11 ILE 9 3HD1 ILE 9 -1.431 -2.459 4.926 56 HD12 ILE 9 1HD1 ILE 9 -1.491 -4.181 5.302 57 HD13 ILE 9 2HD1 ILE 9 -2.741 -3.454 4.291 58 H MET 10 H MET 10 -1.630 -7.599 0.937 59 HA MET 10 HA MET 10 0.223 -9.172 2.524 60 HB2 MET 10 2HB MET 10 -2.119 -9.751 0.708 61 HB3 MET 10 1HB MET 10 -1.222 -11.031 1.522 62 HG2 MET 10 2HG MET 10 -2.393 -8.691 3.032 63 HG3 MET 10 1HG MET 10 -3.310 -10.166 2.733 64 HE1 MET 10 3HE MET 10 -1.828 -12.893 4.623 65 HE2 MET 10 1HE MET 10 -1.024 -12.592 3.076 66 HE3 MET 10 2HE MET 10 -2.757 -12.321 3.240 67 H ASN 11 H ASN 11 -0.335 -8.489 -0.888 68 HA ASN 11 HA ASN 11 1.872 -10.353 -1.636 69 HB2 ASN 11 2HB ASN 11 0.134 -10.876 -3.030 70 HB3 ASN 11 1HB ASN 11 -0.627 -9.303 -2.829 71 HD21 ASN 11 1HD2 ASN 11 -0.872 -8.599 -4.972 72 HD22 ASN 11 2HD2 ASN 11 0.401 -8.480 -6.088 73 H ASN 12 H ASN 12 1.062 -6.969 -1.369 74 HA ASN 12 HA ASN 12 3.718 -6.325 -2.618 75 HB2 ASN 12 2HB ASN 12 1.228 -4.608 -2.806 76 HB3 ASN 12 1HB ASN 12 2.717 -4.457 -3.735 77 HD21 ASN 12 1HD2 ASN 12 3.243 -6.886 -4.769 78 HD22 ASN 12 2HD2 ASN 12 1.934 -7.504 -5.655 79 HA PRO 13 HA PRO 13 3.248 -4.634 1.692 80 HB2 PRO 13 2HB PRO 13 5.559 -5.730 2.665 81 HB3 PRO 13 1HB PRO 13 4.002 -6.581 2.693 82 HG2 PRO 13 2HG PRO 13 6.291 -6.884 0.815 83 HG3 PRO 13 1HG PRO 13 5.222 -8.118 1.500 84 HD2 PRO 13 2HD PRO 13 4.975 -7.150 -1.038 85 HD3 PRO 13 1HD PRO 13 3.615 -7.797 -0.095 86 H ASP 14 H ASP 14 5.475 -4.508 -0.898 87 HA ASP 14 HA ASP 14 7.590 -2.929 0.045 88 HB2 ASP 14 2HB ASP 14 7.564 -2.086 -2.360 89 HB3 ASP 14 1HB ASP 14 7.550 -3.841 -2.186 90 H TYR 15 H TYR 15 4.242 -2.162 -0.300 91 HA TYR 15 HA TYR 15 4.772 0.768 -0.089 92 HB2 TYR 15 2HB TYR 15 3.208 -0.468 -1.795 93 HB3 TYR 15 1HB TYR 15 2.088 -0.544 -0.434 94 HD1 TYR 15 2HD TYR 15 4.184 1.831 -2.421 95 HD2 TYR 15 1HD TYR 15 0.785 1.326 0.156 96 HE1 TYR 15 2HE TYR 15 3.529 4.189 -2.824 97 HE2 TYR 15 1HE TYR 15 0.129 3.684 -0.246 98 HH TYR 15 HH TYR 15 0.551 5.535 -1.405 99 H CYS 16 H CYS 16 3.003 -1.888 1.487 100 HA CYS 16 HA CYS 16 2.537 -0.102 3.846 101 HB2 CYS 16 2HB CYS 16 1.185 -2.587 2.762 102 HB3 CYS 16 1HB CYS 16 0.807 -1.918 4.351 103 HN1 NH2 17 HN1 NH2 17 2.282 -3.574 4.175 104 HN2 NH2 17 HN2 NH2 17 3.674 -3.797 5.120 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 0.530 2.415 -2.239 2 H2 GLY 1 2HT GLY 1 -0.523 3.747 -2.316 3 H3 GLY 1 3HT GLY 1 -1.064 2.204 -2.776 4 HA2 GLY 1 2HA GLY 1 -0.100 2.742 -0.034 5 HA3 GLY 1 1HA GLY 1 -1.775 3.046 -0.500 6 H CYS 2 H CYS 2 -2.939 1.185 -1.508 7 HA CYS 2 HA CYS 2 -3.671 -1.054 -1.466 8 HB2 CYS 2 2HB CYS 2 -0.661 -1.293 -1.307 9 HB3 CYS 2 1HB CYS 2 -1.697 -2.714 -1.364 10 H CYS 3 H CYS 3 -2.721 0.574 1.146 11 HA CYS 3 HA CYS 3 -2.268 -1.458 3.108 12 HB2 CYS 3 2HB CYS 3 -3.192 1.422 3.212 13 HB3 CYS 3 1HB CYS 3 -2.825 0.481 4.656 14 H GLU 4 H GLU 4 -5.140 0.173 1.873 15 HA GLU 4 HA GLU 4 -6.919 -1.130 3.825 16 HB2 GLU 4 2HB GLU 4 -7.063 1.211 2.629 17 HB3 GLU 4 1HB GLU 4 -7.752 0.282 1.296 18 HG2 GLU 4 2HG GLU 4 -9.667 0.829 2.506 19 HG3 GLU 4 1HG GLU 4 -9.271 -0.747 3.189 20 H ILE 5 H ILE 5 -5.203 -2.309 1.344 21 HA ILE 5 HA ILE 5 -7.316 -4.282 0.580 22 HB ILE 5 HB ILE 5 -5.283 -2.901 -1.211 23 HG12 ILE 5 2HG1 ILE 5 -8.007 -2.499 -2.002 24 HG13 ILE 5 1HG1 ILE 5 -7.856 -2.062 -0.299 25 HG21 ILE 5 1HG2 ILE 5 -7.596 -4.610 -2.103 26 HG22 ILE 5 2HG2 ILE 5 -6.041 -5.335 -1.693 27 HG23 ILE 5 3HG2 ILE 5 -6.148 -4.155 -2.999 28 HD11 ILE 5 3HD1 ILE 5 -6.802 -0.159 -0.859 29 HD12 ILE 5 1HD1 ILE 5 -7.001 -0.565 -2.563 30 HD13 ILE 5 2HD1 ILE 5 -5.555 -1.081 -1.696 31 HA PRO 6 HA PRO 6 -3.829 -6.664 2.088 32 HB2 PRO 6 2HB PRO 6 -5.152 -9.066 2.090 33 HB3 PRO 6 1HB PRO 6 -5.305 -7.868 3.390 34 HG2 PRO 6 2HG PRO 6 -7.128 -8.407 1.093 35 HG3 PRO 6 1HG PRO 6 -7.518 -8.051 2.784 36 HD2 PRO 6 2HD PRO 6 -7.686 -6.183 0.832 37 HD3 PRO 6 1HD PRO 6 -7.255 -5.778 2.510 38 H ALA 7 H ALA 7 -5.932 -7.787 -0.573 39 HA ALA 7 HA ALA 7 -4.260 -9.603 -1.849 40 HB1 ALA 7 1HB ALA 7 -5.391 -8.777 -3.935 41 HB2 ALA 7 2HB ALA 7 -6.018 -7.420 -2.998 42 HB3 ALA 7 3HB ALA 7 -6.512 -9.067 -2.605 43 H CYS 8 H CYS 8 -4.051 -6.108 -1.708 44 HA CYS 8 HA CYS 8 -1.743 -6.104 -3.583 45 HB2 CYS 8 2HB CYS 8 -3.741 -4.465 -3.595 46 HB3 CYS 8 1HB CYS 8 -3.001 -3.750 -2.163 47 H ILE 9 H ILE 9 -2.520 -5.325 -0.187 48 HA ILE 9 HA ILE 9 0.177 -4.542 0.416 49 HB ILE 9 HB ILE 9 -2.350 -4.420 1.607 50 HG12 ILE 9 2HG1 ILE 9 -1.237 -2.948 3.168 51 HG13 ILE 9 1HG1 ILE 9 0.322 -3.691 2.817 52 HG21 ILE 9 1HG2 ILE 9 -1.741 -5.213 3.964 53 HG22 ILE 9 2HG2 ILE 9 -0.445 -6.141 3.208 54 HG23 ILE 9 3HG2 ILE 9 -2.126 -6.482 2.802 55 HD11 ILE 9 3HD1 ILE 9 0.604 -2.432 0.969 56 HD12 ILE 9 1HD1 ILE 9 -0.784 -1.486 1.502 57 HD13 ILE 9 2HD1 ILE 9 -1.009 -2.828 0.378 58 H MET 10 H MET 10 -1.704 -7.521 0.897 59 HA MET 10 HA MET 10 0.397 -9.023 2.127 60 HB2 MET 10 2HB MET 10 -2.125 -9.675 0.606 61 HB3 MET 10 1HB MET 10 -1.071 -10.950 1.209 62 HG2 MET 10 2HG MET 10 -1.477 -9.047 3.314 63 HG3 MET 10 1HG MET 10 -3.051 -9.497 2.654 64 HE1 MET 10 3HE MET 10 -2.945 -11.199 5.767 65 HE2 MET 10 1HE MET 10 -2.204 -9.675 5.261 66 HE3 MET 10 2HE MET 10 -1.197 -10.993 5.857 67 H ASN 11 H ASN 11 -0.648 -8.530 -1.217 68 HA ASN 11 HA ASN 11 1.328 -10.347 -2.378 69 HB2 ASN 11 2HB ASN 11 -0.909 -9.821 -3.350 70 HB3 ASN 11 1HB ASN 11 -0.413 -8.137 -3.535 71 HD21 ASN 11 1HD2 ASN 11 1.073 -11.326 -4.293 72 HD22 ASN 11 2HD2 ASN 11 1.521 -10.906 -5.874 73 H ASN 12 H ASN 12 0.893 -6.889 -1.884 74 HA ASN 12 HA ASN 12 3.803 -6.459 -2.520 75 HB2 ASN 12 2HB ASN 12 1.439 -4.685 -3.221 76 HB3 ASN 12 1HB ASN 12 3.124 -4.381 -3.645 77 HD21 ASN 12 1HD2 ASN 12 0.238 -5.953 -4.676 78 HD22 ASN 12 2HD2 ASN 12 0.911 -6.826 -5.968 79 HA PRO 13 HA PRO 13 2.527 -4.691 1.591 80 HB2 PRO 13 2HB PRO 13 4.419 -5.969 3.091 81 HB3 PRO 13 1HB PRO 13 2.832 -6.677 2.728 82 HG2 PRO 13 2HG PRO 13 5.478 -7.245 1.509 83 HG3 PRO 13 1HG PRO 13 4.131 -8.341 1.850 84 HD2 PRO 13 2HD PRO 13 4.721 -7.318 -0.637 85 HD3 PRO 13 1HD PRO 13 3.121 -7.912 -0.147 86 H ASP 14 H ASP 14 5.064 -4.511 -0.540 87 HA ASP 14 HA ASP 14 7.174 -3.297 0.896 88 HB2 ASP 14 2HB ASP 14 6.244 -3.646 -1.845 89 HB3 ASP 14 1HB ASP 14 7.091 -2.114 -1.625 90 H TYR 15 H TYR 15 4.156 -1.972 -0.355 91 HA TYR 15 HA TYR 15 4.900 0.811 0.118 92 HB2 TYR 15 2HB TYR 15 3.194 -0.322 -1.529 93 HB3 TYR 15 1HB TYR 15 2.094 -0.231 -0.153 94 HD1 TYR 15 1HD TYR 15 2.052 2.119 1.091 95 HD2 TYR 15 2HD TYR 15 3.340 1.510 -2.962 96 HE1 TYR 15 1HE TYR 15 1.643 4.517 0.599 97 HE2 TYR 15 2HE TYR 15 2.928 3.905 -3.453 98 HH TYR 15 HH TYR 15 1.617 6.091 -0.960 99 H CYS 16 H CYS 16 2.932 -1.621 1.804 100 HA CYS 16 HA CYS 16 2.576 0.295 4.076 101 HB2 CYS 16 2HB CYS 16 0.808 -1.235 2.660 102 HB3 CYS 16 1HB CYS 16 1.139 -2.291 4.032 103 HN1 NH2 17 HN1 NH2 17 2.806 -3.304 3.899 104 HN2 NH2 17 HN2 NH2 17 3.945 -3.451 5.150 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -5.371 3.197 -0.876 2 H2 GLY 1 2HT GLY 1 -4.489 4.629 -1.111 3 H3 GLY 1 3HT GLY 1 -4.220 3.681 0.272 4 HA2 GLY 1 2HA GLY 1 -3.451 3.127 -2.525 5 HA3 GLY 1 1HA GLY 1 -2.426 3.162 -1.089 6 H CYS 2 H CYS 2 -1.671 1.045 -1.152 7 HA CYS 2 HA CYS 2 -3.485 -1.219 -1.574 8 HB2 CYS 2 2HB CYS 2 -0.573 -0.879 -0.813 9 HB3 CYS 2 1HB CYS 2 -1.323 -2.458 -1.047 10 H CYS 3 H CYS 3 -2.335 0.613 1.140 11 HA CYS 3 HA CYS 3 -2.427 -1.291 3.213 12 HB2 CYS 3 2HB CYS 3 -2.699 1.656 2.891 13 HB3 CYS 3 1HB CYS 3 -3.221 0.978 4.433 14 H GLU 4 H GLU 4 -5.011 0.433 1.558 15 HA GLU 4 HA GLU 4 -7.074 -0.448 3.468 16 HB2 GLU 4 2HB GLU 4 -6.858 1.696 1.913 17 HB3 GLU 4 1HB GLU 4 -7.615 0.638 0.722 18 HG2 GLU 4 2HG GLU 4 -9.455 1.666 1.778 19 HG3 GLU 4 1HG GLU 4 -9.329 0.111 2.601 20 H ILE 5 H ILE 5 -5.288 -2.086 1.309 21 HA ILE 5 HA ILE 5 -7.483 -4.018 0.713 22 HB ILE 5 HB ILE 5 -5.497 -2.755 -1.202 23 HG12 ILE 5 2HG1 ILE 5 -8.152 -2.742 -2.183 24 HG13 ILE 5 1HG1 ILE 5 -8.247 -2.234 -0.497 25 HG21 ILE 5 1HG2 ILE 5 -5.613 -4.610 -2.454 26 HG22 ILE 5 2HG2 ILE 5 -7.368 -4.441 -2.527 27 HG23 ILE 5 3HG2 ILE 5 -6.625 -5.381 -1.233 28 HD11 ILE 5 3HD1 ILE 5 -7.712 -0.191 -1.354 29 HD12 ILE 5 1HD1 ILE 5 -6.991 -0.881 -2.809 30 HD13 ILE 5 2HD1 ILE 5 -6.067 -0.830 -1.307 31 HA PRO 6 HA PRO 6 -4.147 -6.489 2.343 32 HB2 PRO 6 2HB PRO 6 -5.472 -8.887 2.229 33 HB3 PRO 6 1HB PRO 6 -5.747 -7.685 3.506 34 HG2 PRO 6 2HG PRO 6 -7.352 -8.247 1.059 35 HG3 PRO 6 1HG PRO 6 -7.894 -7.862 2.701 36 HD2 PRO 6 2HD PRO 6 -7.859 -6.040 0.684 37 HD3 PRO 6 1HD PRO 6 -7.647 -5.600 2.394 38 H ALA 7 H ALA 7 -5.895 -7.168 -0.651 39 HA ALA 7 HA ALA 7 -4.268 -9.198 -1.734 40 HB1 ALA 7 1HB ALA 7 -5.041 -8.061 -3.928 41 HB2 ALA 7 2HB ALA 7 -5.875 -6.917 -2.875 42 HB3 ALA 7 3HB ALA 7 -6.293 -8.630 -2.824 43 H CYS 8 H CYS 8 -3.887 -5.684 -1.721 44 HA CYS 8 HA CYS 8 -1.342 -5.867 -3.222 45 HB2 CYS 8 2HB CYS 8 -3.229 -4.118 -3.482 46 HB3 CYS 8 1HB CYS 8 -2.619 -3.425 -1.979 47 H ILE 9 H ILE 9 -2.512 -5.210 0.052 48 HA ILE 9 HA ILE 9 0.039 -4.360 1.061 49 HB ILE 9 HB ILE 9 -2.586 -4.272 1.854 50 HG12 ILE 9 2HG1 ILE 9 -0.068 -3.890 3.490 51 HG13 ILE 9 1HG1 ILE 9 -0.933 -2.666 2.558 52 HG21 ILE 9 1HG2 ILE 9 -2.322 -6.691 2.623 53 HG22 ILE 9 2HG2 ILE 9 -2.917 -5.555 3.832 54 HG23 ILE 9 3HG2 ILE 9 -1.232 -6.074 3.864 55 HD11 ILE 9 3HD1 ILE 9 -1.975 -4.131 5.001 56 HD12 ILE 9 1HD1 ILE 9 -2.919 -3.001 4.030 57 HD13 ILE 9 2HD1 ILE 9 -1.507 -2.432 4.921 58 H MET 10 H MET 10 -1.715 -7.431 1.000 59 HA MET 10 HA MET 10 0.272 -8.887 2.503 60 HB2 MET 10 2HB MET 10 -2.240 -9.333 2.201 61 HB3 MET 10 1HB MET 10 -1.815 -9.981 0.616 62 HG2 MET 10 2HG MET 10 0.009 -11.152 2.410 63 HG3 MET 10 1HG MET 10 -1.555 -11.226 3.221 64 HE1 MET 10 3HE MET 10 -0.870 -14.664 1.953 65 HE2 MET 10 1HE MET 10 0.035 -13.372 2.754 66 HE3 MET 10 2HE MET 10 0.432 -13.836 1.101 67 H ASN 11 H ASN 11 -0.487 -8.416 -0.921 68 HA ASN 11 HA ASN 11 1.710 -10.212 -1.760 69 HB2 ASN 11 2HB ASN 11 -0.189 -8.459 -3.354 70 HB3 ASN 11 1HB ASN 11 0.774 -9.800 -3.977 71 HD21 ASN 11 1HD2 ASN 11 -2.100 -9.761 -4.180 72 HD22 ASN 11 2HD2 ASN 11 -2.712 -11.012 -3.209 73 H ASN 12 H ASN 12 1.012 -6.791 -1.388 74 HA ASN 12 HA ASN 12 3.756 -6.184 -2.461 75 HB2 ASN 12 2HB ASN 12 1.108 -5.238 -3.194 76 HB3 ASN 12 1HB ASN 12 2.140 -3.896 -2.699 77 HD21 ASN 12 1HD2 ASN 12 1.823 -6.540 -5.057 78 HD22 ASN 12 2HD2 ASN 12 2.997 -5.950 -6.131 79 HA PRO 13 HA PRO 13 3.277 -4.757 1.934 80 HB2 PRO 13 2HB PRO 13 5.623 -5.849 2.823 81 HB3 PRO 13 1HB PRO 13 4.091 -6.746 2.797 82 HG2 PRO 13 2HG PRO 13 6.376 -6.846 0.891 83 HG3 PRO 13 1HG PRO 13 5.355 -8.159 1.500 84 HD2 PRO 13 2HD PRO 13 5.049 -7.041 -0.967 85 HD3 PRO 13 1HD PRO 13 3.716 -7.780 -0.053 86 H ASP 14 H ASP 14 5.690 -4.544 -0.555 87 HA ASP 14 HA ASP 14 7.634 -2.864 0.559 88 HB2 ASP 14 2HB ASP 14 8.107 -2.293 -1.732 89 HB3 ASP 14 1HB ASP 14 7.500 -3.949 -1.742 90 H TYR 15 H TYR 15 4.310 -2.218 -0.171 91 HA TYR 15 HA TYR 15 4.699 0.727 -0.004 92 HB2 TYR 15 2HB TYR 15 3.145 -0.816 -1.581 93 HB3 TYR 15 1HB TYR 15 2.019 -0.548 -0.251 94 HD1 TYR 15 1HD TYR 15 1.832 1.941 0.603 95 HD2 TYR 15 2HD TYR 15 3.321 0.799 -3.262 96 HE1 TYR 15 1HE TYR 15 1.367 4.222 -0.251 97 HE2 TYR 15 2HE TYR 15 2.853 3.079 -4.116 98 HH TYR 15 HH TYR 15 2.389 5.223 -3.470 99 H CYS 16 H CYS 16 2.919 -1.892 1.623 100 HA CYS 16 HA CYS 16 2.481 -0.060 3.955 101 HB2 CYS 16 2HB CYS 16 1.022 -2.493 2.889 102 HB3 CYS 16 1HB CYS 16 0.636 -1.743 4.437 103 HN1 NH2 17 HN1 NH2 17 1.844 -2.247 5.778 104 HN2 NH2 17 HN2 NH2 17 3.286 -3.077 6.116 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -1.186 4.056 0.731 2 H2 GLY 1 2HT GLY 1 -1.737 2.549 1.291 3 H3 GLY 1 3HT GLY 1 -2.576 3.969 1.698 4 HA2 GLY 1 2HA GLY 1 -3.722 4.004 -0.197 5 HA3 GLY 1 1HA GLY 1 -2.287 3.599 -1.137 6 H CYS 2 H CYS 2 -1.506 1.194 -0.204 7 HA CYS 2 HA CYS 2 -3.665 -0.581 -1.140 8 HB2 CYS 2 2HB CYS 2 -0.728 -0.779 -0.490 9 HB3 CYS 2 1HB CYS 2 -1.678 -2.240 -0.756 10 H CYS 3 H CYS 3 -2.633 0.619 1.854 11 HA CYS 3 HA CYS 3 -2.786 -1.600 3.585 12 HB2 CYS 3 2HB CYS 3 -3.067 1.348 3.702 13 HB3 CYS 3 1HB CYS 3 -3.760 0.468 5.063 14 H GLU 4 H GLU 4 -5.313 0.188 1.954 15 HA GLU 4 HA GLU 4 -7.455 -0.916 3.653 16 HB2 GLU 4 2HB GLU 4 -7.296 0.802 1.164 17 HB3 GLU 4 1HB GLU 4 -8.835 0.289 1.854 18 HG2 GLU 4 2HG GLU 4 -6.692 1.942 3.215 19 HG3 GLU 4 1HG GLU 4 -8.312 2.471 2.757 20 H ILE 5 H ILE 5 -5.499 -2.248 1.383 21 HA ILE 5 HA ILE 5 -7.581 -4.224 0.562 22 HB ILE 5 HB ILE 5 -5.701 -2.625 -1.198 23 HG12 ILE 5 2HG1 ILE 5 -8.376 -2.851 -2.182 24 HG13 ILE 5 1HG1 ILE 5 -8.463 -2.394 -0.482 25 HG21 ILE 5 1HG2 ILE 5 -5.599 -4.358 -2.614 26 HG22 ILE 5 2HG2 ILE 5 -7.360 -4.368 -2.720 27 HG23 ILE 5 3HG2 ILE 5 -6.544 -5.342 -1.496 28 HD11 ILE 5 3HD1 ILE 5 -7.833 -0.728 -2.684 29 HD12 ILE 5 1HD1 ILE 5 -6.348 -0.917 -1.751 30 HD13 ILE 5 2HD1 ILE 5 -7.807 -0.303 -0.973 31 HA PRO 6 HA PRO 6 -4.061 -6.625 1.899 32 HB2 PRO 6 2HB PRO 6 -5.274 -9.072 1.660 33 HB3 PRO 6 1HB PRO 6 -5.545 -7.986 3.040 34 HG2 PRO 6 2HG PRO 6 -7.242 -8.453 0.640 35 HG3 PRO 6 1HG PRO 6 -7.717 -8.202 2.326 36 HD2 PRO 6 2HD PRO 6 -7.856 -6.255 0.426 37 HD3 PRO 6 1HD PRO 6 -7.610 -5.919 2.154 38 H ALA 7 H ALA 7 -5.985 -7.253 -1.007 39 HA ALA 7 HA ALA 7 -4.366 -9.058 -2.387 40 HB1 ALA 7 1HB ALA 7 -6.056 -6.694 -3.153 41 HB2 ALA 7 2HB ALA 7 -6.370 -8.410 -3.418 42 HB3 ALA 7 3HB ALA 7 -5.166 -7.570 -4.397 43 H CYS 8 H CYS 8 -3.930 -5.623 -1.782 44 HA CYS 8 HA CYS 8 -1.424 -5.604 -3.390 45 HB2 CYS 8 2HB CYS 8 -3.248 -3.851 -3.591 46 HB3 CYS 8 1HB CYS 8 -2.854 -3.351 -1.946 47 H ILE 9 H ILE 9 -2.591 -5.038 -0.075 48 HA ILE 9 HA ILE 9 0.024 -4.438 0.944 49 HB ILE 9 HB ILE 9 -2.634 -4.279 1.770 50 HG12 ILE 9 2HG1 ILE 9 -0.863 -2.663 2.249 51 HG13 ILE 9 1HG1 ILE 9 -1.656 -3.146 3.750 52 HG21 ILE 9 1HG2 ILE 9 -2.765 -5.410 3.905 53 HG22 ILE 9 2HG2 ILE 9 -1.115 -6.009 3.739 54 HG23 ILE 9 3HG2 ILE 9 -2.383 -6.617 2.677 55 HD11 ILE 9 3HD1 ILE 9 0.336 -5.042 3.488 56 HD12 ILE 9 1HD1 ILE 9 0.431 -3.607 4.507 57 HD13 ILE 9 2HD1 ILE 9 1.117 -3.582 2.882 58 H MET 10 H MET 10 -1.983 -7.341 0.805 59 HA MET 10 HA MET 10 -0.225 -9.045 2.280 60 HB2 MET 10 2HB MET 10 -2.766 -9.152 1.409 61 HB3 MET 10 1HB MET 10 -1.999 -10.112 0.144 62 HG2 MET 10 2HG MET 10 -2.000 -10.628 3.125 63 HG3 MET 10 1HG MET 10 -2.634 -11.664 1.849 64 HE1 MET 10 3HE MET 10 1.312 -11.069 3.654 65 HE2 MET 10 1HE MET 10 0.293 -12.395 4.230 66 HE3 MET 10 2HE MET 10 -0.353 -10.758 4.140 67 H ASN 11 H ASN 11 -0.581 -8.296 -1.180 68 HA ASN 11 HA ASN 11 1.621 -10.168 -1.861 69 HB2 ASN 11 2HB ASN 11 -0.425 -8.526 -3.326 70 HB3 ASN 11 1HB ASN 11 0.985 -9.127 -4.197 71 HD21 ASN 11 1HD2 ASN 11 -0.806 -10.431 -5.370 72 HD22 ASN 11 2HD2 ASN 11 -1.256 -11.916 -4.682 73 H ASN 12 H ASN 12 0.925 -6.707 -1.674 74 HA ASN 12 HA ASN 12 3.833 -6.187 -2.274 75 HB2 ASN 12 2HB ASN 12 1.407 -4.435 -2.807 76 HB3 ASN 12 1HB ASN 12 3.070 -4.056 -3.245 77 HD21 ASN 12 1HD2 ASN 12 0.218 -5.448 -4.435 78 HD22 ASN 12 2HD2 ASN 12 0.887 -6.303 -5.741 79 HA PRO 13 HA PRO 13 2.849 -4.783 2.007 80 HB2 PRO 13 2HB PRO 13 5.064 -5.893 3.168 81 HB3 PRO 13 1HB PRO 13 3.550 -6.787 2.927 82 HG2 PRO 13 2HG PRO 13 6.075 -6.893 1.371 83 HG3 PRO 13 1HG PRO 13 4.932 -8.185 1.763 84 HD2 PRO 13 2HD PRO 13 5.071 -6.917 -0.676 85 HD3 PRO 13 1HD PRO 13 3.633 -7.757 -0.056 86 H ASP 14 H ASP 14 5.661 -4.600 -0.072 87 HA ASP 14 HA ASP 14 7.365 -2.872 1.316 88 HB2 ASP 14 2HB ASP 14 6.893 -3.805 -1.349 89 HB3 ASP 14 1HB ASP 14 7.193 -2.068 -1.420 90 H TYR 15 H TYR 15 4.292 -2.235 -0.238 91 HA TYR 15 HA TYR 15 4.527 0.679 -0.146 92 HB2 TYR 15 2HB TYR 15 2.995 -1.189 -1.466 93 HB3 TYR 15 1HB TYR 15 1.858 -0.568 -0.270 94 HD1 TYR 15 2HD TYR 15 2.049 2.125 0.041 95 HD2 TYR 15 1HD TYR 15 3.058 -0.081 -3.504 96 HE1 TYR 15 2HE TYR 15 1.734 4.172 -1.323 97 HE2 TYR 15 1HE TYR 15 2.742 1.965 -4.869 98 HH TYR 15 HH TYR 15 1.658 4.076 -4.785 99 H CYS 16 H CYS 16 2.864 -1.814 1.770 100 HA CYS 16 HA CYS 16 2.411 0.244 3.908 101 HB2 CYS 16 2HB CYS 16 0.729 -1.793 2.590 102 HB3 CYS 16 1HB CYS 16 0.578 -1.752 4.346 103 HN1 NH2 17 HN1 NH2 17 4.871 -1.016 4.054 104 HN2 NH2 17 HN2 NH2 17 4.865 -2.235 5.236 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -2.918 5.079 -0.583 2 H2 GLY 1 2HT GLY 1 -4.114 3.890 -0.786 3 H3 GLY 1 3HT GLY 1 -2.962 4.158 -2.007 4 HA2 GLY 1 2HA GLY 1 -1.275 3.123 -0.866 5 HA3 GLY 1 1HA GLY 1 -2.073 3.376 0.687 6 H CYS 2 H CYS 2 -1.180 0.838 0.050 7 HA CYS 2 HA CYS 2 -3.499 -0.688 -0.998 8 HB2 CYS 2 2HB CYS 2 -0.664 -1.345 -0.160 9 HB3 CYS 2 1HB CYS 2 -1.817 -2.580 -0.668 10 H CYS 3 H CYS 3 -2.310 0.416 2.010 11 HA CYS 3 HA CYS 3 -2.860 -1.683 3.789 12 HB2 CYS 3 2HB CYS 3 -2.852 1.298 3.834 13 HB3 CYS 3 1HB CYS 3 -3.602 0.483 5.207 14 H GLU 4 H GLU 4 -5.014 0.260 1.889 15 HA GLU 4 HA GLU 4 -7.417 -0.363 3.461 16 HB2 GLU 4 2HB GLU 4 -6.574 1.471 1.477 17 HB3 GLU 4 1HB GLU 4 -7.858 0.516 0.737 18 HG2 GLU 4 2HG GLU 4 -9.289 0.967 2.734 19 HG3 GLU 4 1HG GLU 4 -8.020 2.019 3.366 20 H ILE 5 H ILE 5 -5.436 -2.093 1.402 21 HA ILE 5 HA ILE 5 -7.605 -4.043 0.799 22 HB ILE 5 HB ILE 5 -5.707 -2.659 -1.112 23 HG12 ILE 5 2HG1 ILE 5 -8.357 -2.984 -2.103 24 HG13 ILE 5 1HG1 ILE 5 -8.487 -2.411 -0.441 25 HG21 ILE 5 1HG2 ILE 5 -6.233 -4.256 -2.799 26 HG22 ILE 5 2HG2 ILE 5 -7.467 -5.016 -1.796 27 HG23 ILE 5 3HG2 ILE 5 -5.764 -5.195 -1.385 28 HD11 ILE 5 3HD1 ILE 5 -6.677 -0.690 -1.092 29 HD12 ILE 5 1HD1 ILE 5 -8.306 -0.428 -1.715 30 HD13 ILE 5 2HD1 ILE 5 -7.062 -1.115 -2.759 31 HA PRO 6 HA PRO 6 -4.208 -6.449 2.411 32 HB2 PRO 6 2HB PRO 6 -5.496 -8.868 2.306 33 HB3 PRO 6 1HB PRO 6 -5.772 -7.675 3.592 34 HG2 PRO 6 2HG PRO 6 -7.400 -8.248 1.161 35 HG3 PRO 6 1HG PRO 6 -7.928 -7.888 2.812 36 HD2 PRO 6 2HD PRO 6 -7.958 -6.042 0.826 37 HD3 PRO 6 1HD PRO 6 -7.703 -5.618 2.534 38 H ALA 7 H ALA 7 -5.977 -7.087 -0.566 39 HA ALA 7 HA ALA 7 -4.369 -9.108 -1.697 40 HB1 ALA 7 1HB ALA 7 -5.151 -7.882 -3.864 41 HB2 ALA 7 2HB ALA 7 -6.024 -6.829 -2.751 42 HB3 ALA 7 3HB ALA 7 -6.377 -8.557 -2.792 43 H CYS 8 H CYS 8 -3.993 -5.590 -1.679 44 HA CYS 8 HA CYS 8 -1.456 -5.770 -3.182 45 HB2 CYS 8 2HB CYS 8 -3.189 -3.995 -3.569 46 HB3 CYS 8 1HB CYS 8 -2.885 -3.398 -1.939 47 H ILE 9 H ILE 9 -2.604 -5.085 0.104 48 HA ILE 9 HA ILE 9 -0.046 -4.283 1.103 49 HB ILE 9 HB ILE 9 -2.658 -4.254 1.956 50 HG12 ILE 9 2HG1 ILE 9 -0.865 -2.711 2.635 51 HG13 ILE 9 1HG1 ILE 9 -1.765 -3.287 4.037 52 HG21 ILE 9 1HG2 ILE 9 -2.382 -6.683 2.642 53 HG22 ILE 9 2HG2 ILE 9 -2.878 -5.597 3.938 54 HG23 ILE 9 3HG2 ILE 9 -1.202 -6.134 3.833 55 HD11 ILE 9 3HD1 ILE 9 1.043 -3.843 3.240 56 HD12 ILE 9 1HD1 ILE 9 0.141 -5.204 3.904 57 HD13 ILE 9 2HD1 ILE 9 0.330 -3.728 4.849 58 H MET 10 H MET 10 -1.777 -7.367 1.012 59 HA MET 10 HA MET 10 0.245 -8.861 2.411 60 HB2 MET 10 2HB MET 10 -2.316 -9.266 1.942 61 HB3 MET 10 1HB MET 10 -1.720 -10.033 0.469 62 HG2 MET 10 2HG MET 10 -0.441 -11.631 1.704 63 HG3 MET 10 1HG MET 10 -0.658 -10.742 3.212 64 HE1 MET 10 3HE MET 10 -2.924 -14.173 1.741 65 HE2 MET 10 1HE MET 10 -1.429 -14.029 2.676 66 HE3 MET 10 2HE MET 10 -1.516 -13.379 1.041 67 H ASN 11 H ASN 11 -0.613 -8.407 -1.008 68 HA ASN 11 HA ASN 11 1.599 -10.081 -1.952 69 HB2 ASN 11 2HB ASN 11 -0.792 -9.516 -2.941 70 HB3 ASN 11 1HB ASN 11 0.059 -8.139 -3.643 71 HD21 ASN 11 1HD2 ASN 11 -0.957 -11.036 -4.605 72 HD22 ASN 11 2HD2 ASN 11 0.330 -11.531 -5.595 73 H ASN 12 H ASN 12 0.954 -6.638 -1.464 74 HA ASN 12 HA ASN 12 3.784 -6.090 -2.326 75 HB2 ASN 12 2HB ASN 12 1.171 -4.763 -2.948 76 HB3 ASN 12 1HB ASN 12 2.605 -3.747 -2.823 77 HD21 ASN 12 1HD2 ASN 12 0.838 -5.084 -5.157 78 HD22 ASN 12 2HD2 ASN 12 2.040 -5.560 -6.258 79 HA PRO 13 HA PRO 13 3.166 -4.785 2.052 80 HB2 PRO 13 2HB PRO 13 5.548 -5.792 2.947 81 HB3 PRO 13 1HB PRO 13 4.067 -6.764 2.847 82 HG2 PRO 13 2HG PRO 13 6.405 -6.682 1.015 83 HG3 PRO 13 1HG PRO 13 5.409 -8.058 1.516 84 HD2 PRO 13 2HD PRO 13 5.167 -6.788 -0.901 85 HD3 PRO 13 1HD PRO 13 3.850 -7.681 -0.110 86 H ASP 14 H ASP 14 5.812 -4.480 -0.243 87 HA ASP 14 HA ASP 14 7.517 -2.645 0.976 88 HB2 ASP 14 2HB ASP 14 7.629 -3.729 -1.324 89 HB3 ASP 14 1HB ASP 14 6.497 -2.494 -1.873 90 H TYR 15 H TYR 15 4.272 -2.220 -0.228 91 HA TYR 15 HA TYR 15 4.307 0.711 -0.114 92 HB2 TYR 15 2HB TYR 15 2.767 -1.346 -1.254 93 HB3 TYR 15 1HB TYR 15 1.703 -0.587 -0.070 94 HD1 TYR 15 1HD TYR 15 2.800 2.208 -0.130 95 HD2 TYR 15 2HD TYR 15 1.887 -0.536 -3.305 96 HE1 TYR 15 1HE TYR 15 2.437 4.114 -1.674 97 HE2 TYR 15 2HE TYR 15 1.524 1.370 -4.849 98 HH TYR 15 HH TYR 15 2.616 4.231 -4.523 99 H CYS 16 H CYS 16 2.901 -1.936 1.805 100 HA CYS 16 HA CYS 16 2.556 -0.009 4.080 101 HB2 CYS 16 2HB CYS 16 0.827 -2.060 2.794 102 HB3 CYS 16 1HB CYS 16 0.718 -1.935 4.550 103 HN1 NH2 17 HN1 NH2 17 4.110 -0.569 5.647 104 HN2 NH2 17 HN2 NH2 17 4.546 -2.156 6.064 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -3.215 4.306 -2.443 2 H2 GLY 1 2HT GLY 1 -2.219 3.067 -3.039 3 H3 GLY 1 3HT GLY 1 -1.529 4.467 -2.369 4 HA2 GLY 1 2HA GLY 1 -1.312 3.152 -0.564 5 HA3 GLY 1 1HA GLY 1 -2.969 3.700 -0.296 6 H CYS 2 H CYS 2 -1.375 1.021 0.090 7 HA CYS 2 HA CYS 2 -3.399 -0.739 -1.254 8 HB2 CYS 2 2HB CYS 2 -0.499 -1.049 -0.474 9 HB3 CYS 2 1HB CYS 2 -1.505 -2.460 -0.800 10 H CYS 3 H CYS 3 -2.223 0.405 1.768 11 HA CYS 3 HA CYS 3 -2.633 -1.747 3.517 12 HB2 CYS 3 2HB CYS 3 -2.831 1.239 3.636 13 HB3 CYS 3 1HB CYS 3 -3.391 0.313 5.030 14 H GLU 4 H GLU 4 -4.940 0.187 1.760 15 HA GLU 4 HA GLU 4 -7.247 -0.655 3.387 16 HB2 GLU 4 2HB GLU 4 -6.975 0.775 0.718 17 HB3 GLU 4 1HB GLU 4 -8.472 0.628 1.639 18 HG2 GLU 4 2HG GLU 4 -6.248 1.641 3.253 19 HG3 GLU 4 1HG GLU 4 -6.630 2.687 1.886 20 H ILE 5 H ILE 5 -5.297 -2.261 1.296 21 HA ILE 5 HA ILE 5 -7.478 -4.124 0.484 22 HB ILE 5 HB ILE 5 -5.431 -2.716 -1.244 23 HG12 ILE 5 2HG1 ILE 5 -8.027 -2.940 -2.400 24 HG13 ILE 5 1HG1 ILE 5 -8.237 -2.425 -0.725 25 HG21 ILE 5 1HG2 ILE 5 -5.289 -4.512 -2.585 26 HG22 ILE 5 2HG2 ILE 5 -7.045 -4.536 -2.749 27 HG23 ILE 5 3HG2 ILE 5 -6.269 -5.433 -1.445 28 HD11 ILE 5 3HD1 ILE 5 -6.885 -1.025 -2.983 29 HD12 ILE 5 1HD1 ILE 5 -6.195 -0.822 -1.373 30 HD13 ILE 5 2HD1 ILE 5 -7.870 -0.363 -1.679 31 HA PRO 6 HA PRO 6 -4.287 -6.736 2.191 32 HB2 PRO 6 2HB PRO 6 -5.634 -9.099 1.840 33 HB3 PRO 6 1HB PRO 6 -5.980 -7.973 3.169 34 HG2 PRO 6 2HG PRO 6 -7.411 -8.340 0.578 35 HG3 PRO 6 1HG PRO 6 -8.069 -8.076 2.201 36 HD2 PRO 6 2HD PRO 6 -7.894 -6.098 0.362 37 HD3 PRO 6 1HD PRO 6 -7.747 -5.799 2.109 38 H ALA 7 H ALA 7 -5.891 -7.275 -0.914 39 HA ALA 7 HA ALA 7 -4.181 -9.219 -2.025 40 HB1 ALA 7 1HB ALA 7 -5.574 -8.831 -3.763 41 HB2 ALA 7 2HB ALA 7 -5.005 -7.169 -3.909 42 HB3 ALA 7 3HB ALA 7 -6.309 -7.559 -2.788 43 H CYS 8 H CYS 8 -3.833 -5.717 -1.739 44 HA CYS 8 HA CYS 8 -1.244 -5.779 -3.189 45 HB2 CYS 8 2HB CYS 8 -3.112 -4.049 -3.488 46 HB3 CYS 8 1HB CYS 8 -2.658 -3.435 -1.898 47 H ILE 9 H ILE 9 -2.537 -5.421 0.073 48 HA ILE 9 HA ILE 9 -0.065 -4.490 1.212 49 HB ILE 9 HB ILE 9 -2.692 -4.541 1.944 50 HG12 ILE 9 2HG1 ILE 9 -0.212 -4.268 3.655 51 HG13 ILE 9 1HG1 ILE 9 -1.119 -2.983 2.860 52 HG21 ILE 9 1HG2 ILE 9 -2.471 -7.002 2.485 53 HG22 ILE 9 2HG2 ILE 9 -3.007 -6.003 3.836 54 HG23 ILE 9 3HG2 ILE 9 -1.334 -6.554 3.757 55 HD11 ILE 9 3HD1 ILE 9 -1.686 -3.037 5.240 56 HD12 ILE 9 1HD1 ILE 9 -2.123 -4.741 5.116 57 HD13 ILE 9 2HD1 ILE 9 -3.086 -3.520 4.283 58 H MET 10 H MET 10 -1.656 -7.641 0.940 59 HA MET 10 HA MET 10 0.420 -9.049 2.382 60 HB2 MET 10 2HB MET 10 -2.193 -9.483 1.750 61 HB3 MET 10 1HB MET 10 -1.393 -10.494 0.547 62 HG2 MET 10 2HG MET 10 -0.010 -11.461 2.453 63 HG3 MET 10 1HG MET 10 -1.106 -10.630 3.557 64 HE1 MET 10 3HE MET 10 -2.673 -13.732 4.364 65 HE2 MET 10 1HE MET 10 -1.351 -12.590 4.644 66 HE3 MET 10 2HE MET 10 -1.063 -14.069 3.731 67 H ASN 11 H ASN 11 -0.346 -8.347 -0.983 68 HA ASN 11 HA ASN 11 1.904 -10.052 -1.926 69 HB2 ASN 11 2HB ASN 11 -0.122 -8.406 -3.469 70 HB3 ASN 11 1HB ASN 11 0.888 -9.704 -4.102 71 HD21 ASN 11 1HD2 ASN 11 -2.051 -9.688 -4.144 72 HD22 ASN 11 2HD2 ASN 11 -2.562 -11.005 -3.205 73 H ASN 12 H ASN 12 1.021 -6.699 -1.411 74 HA ASN 12 HA ASN 12 3.652 -5.891 -2.622 75 HB2 ASN 12 2HB ASN 12 0.914 -5.075 -3.144 76 HB3 ASN 12 1HB ASN 12 1.899 -3.694 -2.660 77 HD21 ASN 12 1HD2 ASN 12 1.356 -6.056 -5.189 78 HD22 ASN 12 2HD2 ASN 12 2.514 -5.452 -6.273 79 HA PRO 13 HA PRO 13 3.465 -4.678 1.844 80 HB2 PRO 13 2HB PRO 13 5.996 -5.544 2.438 81 HB3 PRO 13 1HB PRO 13 4.571 -6.600 2.514 82 HG2 PRO 13 2HG PRO 13 6.647 -6.373 0.396 83 HG3 PRO 13 1HG PRO 13 5.828 -7.811 1.024 84 HD2 PRO 13 2HD PRO 13 5.168 -6.614 -1.337 85 HD3 PRO 13 1HD PRO 13 4.015 -7.539 -0.349 86 H ASP 14 H ASP 14 5.498 -4.050 -0.875 87 HA ASP 14 HA ASP 14 7.421 -2.250 0.046 88 HB2 ASP 14 2HB ASP 14 6.756 -3.171 -2.321 89 HB3 ASP 14 1HB ASP 14 5.766 -1.715 -2.412 90 H TYR 15 H TYR 15 3.968 -1.911 -0.135 91 HA TYR 15 HA TYR 15 4.112 1.015 0.412 92 HB2 TYR 15 2HB TYR 15 2.308 -0.857 -0.883 93 HB3 TYR 15 1HB TYR 15 1.450 0.118 0.311 94 HD1 TYR 15 1HD TYR 15 2.924 2.645 0.277 95 HD2 TYR 15 2HD TYR 15 1.790 0.074 -2.967 96 HE1 TYR 15 1HE TYR 15 2.977 4.583 -1.276 97 HE2 TYR 15 2HE TYR 15 1.840 2.007 -4.524 98 HH TYR 15 HH TYR 15 3.282 4.950 -3.747 99 H CYS 16 H CYS 16 2.717 -1.973 1.754 100 HA CYS 16 HA CYS 16 2.422 -0.538 4.362 101 HB2 CYS 16 2HB CYS 16 0.929 -2.874 3.129 102 HB3 CYS 16 1HB CYS 16 0.633 -2.260 4.756 103 HN1 NH2 17 HN1 NH2 17 1.858 -3.578 5.241 104 HN2 NH2 17 HN2 NH2 17 3.421 -4.151 5.563