*HEADER TOXIN 04-AUG-10 SMS20126 *TITLE ALPHA-CONOTOXIN VC1.2 *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: ALPHA-CONOTOXIN VC1.2; *COMPND 3 CHAIN: A; *COMPND 4 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 SYNTHETIC: YES; *SOURCE 3 ORGANISM_SCIENTIFIC: CONUS VICTORIAE; *SOURCE 4 ORGANISM_COMMON: QUEEN VICTORIA CONE; *SOURCE 5 ORGANISM_TAXID: 319920; *SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS *KEYWDS CONOTOXIN, ALPHA-CONOTOXIN, ALPHA-HELIX, DISULFIDE BOND, TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR Z.KUANG assign (resid 1 and name HA* ) (resid 3 and name HN ) 5.54 5.54 0.00 assign (resid 1 and name HN ) (resid 1 and name HA* ) 4.21 4.21 0.00 assign (resid 2 and name HA ) (resid 3 and name HN ) 3.36 3.36 0.00 assign (resid 2 and name HB1 ) (resid 3 and name HN ) 3.86 3.86 0.00 assign (resid 2 and name HB2 ) (resid 3 and name HN ) 3.35 3.35 0.00 assign (resid 2 and name HN ) (resid 2 and name HA ) 3.52 3.52 0.00 assign (resid 2 and name HN ) (resid 2 and name HB1 ) 3.11 3.11 0.00 assign (resid 2 and name HN ) (resid 2 and name HB2 ) 3.33 3.33 0.00 assign (resid 2 and name HN ) (resid 3 and name HN ) 3.91 3.91 0.00 assign (resid 3 and name HA ) (resid 4 and name HN ) 4.04 4.04 0.00 assign (resid 3 and name HA ) (resid 5 and name HN ) 3.89 3.89 0.00 assign (resid 3 and name HA ) (resid 9 and name HN ) 4.79 4.79 0.00 assign (resid 3 and name HB1 ) (resid 4 and name HN ) 4.63 4.63 0.00 assign (resid 3 and name HB2 ) (resid 4 and name HN ) 4.38 4.38 0.00 assign (resid 3 and name HN ) (resid 3 and name HA ) 3.24 3.24 0.00 assign (resid 3 and name HN ) (resid 3 and name HB1 ) 3.67 3.67 0.00 assign (resid 3 and name HN ) (resid 3 and name HB2 ) 2.93 2.93 0.00 assign (resid 3 and name HN ) (resid 4 and name HN ) 2.96 2.96 0.00 assign (resid 4 and name HA ) (resid 4 and name HB1 ) 3.89 3.89 0.00 assign (resid 4 and name HA ) (resid 4 and name HB2 ) 4.79 4.79 0.00 assign (resid 4 and name HA ) (resid 5 and name HN ) 3.67 3.67 0.00 assign (resid 4 and name HB1 ) (resid 5 and name HN ) 4.48 4.48 0.00 assign (resid 4 and name HB2 ) (resid 4 and name HB1 ) 2.40 2.40 0.00 assign (resid 4 and name HB2 ) (resid 5 and name HN ) 4.48 4.48 0.00 assign (resid 4 and name HN ) (resid 4 and name HA ) 3.30 3.30 0.00 assign (resid 4 and name HN ) (resid 4 and name HB1 ) 3.61 3.61 0.00 assign (resid 4 and name HN ) (resid 4 and name HB2 ) 3.83 3.83 0.00 assign (resid 4 and name HN ) (resid 5 and name HN ) 2.83 2.83 0.00 assign (resid 5 and name HA ) (resid 5 and name HB1 ) 5.50 5.50 0.00 assign (resid 5 and name HA ) (resid 5 and name HB2 ) 4.11 4.11 0.00 assign (resid 5 and name HA ) (resid 6 and name HD1 ) 3.42 3.42 0.00 assign (resid 5 and name HA ) (resid 6 and name HD2 ) 3.86 3.86 0.00 assign (resid 5 and name HB1 ) (resid 5 and name HD21 ) 4.57 4.57 0.00 assign (resid 5 and name HB1 ) (resid 5 and name HD22 ) 5.50 5.50 0.00 assign (resid 5 and name HB1 ) (resid 8 and name HA ) 4.32 4.32 0.00 assign (resid 5 and name HB1 ) (resid 8 and name HB1 ) 4.26 4.26 0.00 assign (resid 5 and name HB1 ) (resid 8 and name HN ) 3.64 3.64 0.00 assign (resid 5 and name HB1 ) (resid 9 and name HN ) 4.85 4.85 0.00 assign (resid 5 and name HB2 ) (resid 5 and name HD21 ) 4.14 4.14 0.00 assign (resid 5 and name HB2 ) (resid 5 and name HD22 ) 5.28 5.28 0.00 assign (resid 5 and name HB2 ) (resid 8 and name HN ) 4.29 4.29 0.00 assign (resid 5 and name HD21 ) (resid 7 and name HB* ) 6.34 6.34 0.00 assign (resid 5 and name HD21 ) (resid 8 and name HA ) 5.50 5.50 0.00 assign (resid 5 and name HD21 ) (resid 8 and name HB1 ) 5.50 5.50 0.00 assign (resid 5 and name HD21 ) (resid 8 and name HB2 ) 5.13 5.13 0.00 assign (resid 5 and name HD22 ) (resid 5 and name HD21 ) 2.40 2.40 0.00 assign (resid 5 and name HD22 ) (resid 7 and name HB* ) 6.00 6.00 0.00 assign (resid 5 and name HD22 ) (resid 8 and name HB2 ) 5.50 5.50 0.00 assign (resid 5 and name HN ) (resid 5 and name HA ) 3.45 3.45 0.00 assign (resid 5 and name HN ) (resid 5 and name HB1 ) 3.11 3.11 0.00 assign (resid 5 and name HN ) (resid 5 and name HB2 ) 3.36 3.36 0.00 assign (resid 5 and name HN ) (resid 8 and name HB1 ) 4.51 4.51 0.00 assign (resid 5 and name HN ) (resid 9 and name HN ) 4.35 4.35 0.00 assign (resid 6 and name HA ) (resid 7 and name HN ) 4.11 4.11 0.00 assign (resid 6 and name HA ) (resid 9 and name HN ) 4.17 4.17 0.00 assign (resid 6 and name HA ) (resid 10 and name HN ) 4.32 4.32 0.00 assign (resid 6 and name HB1 ) (resid 7 and name HN ) 4.66 4.66 0.00 assign (resid 6 and name HB2 ) (resid 6 and name HB1 ) 2.90 2.90 0.00 assign (resid 6 and name HB2 ) (resid 7 and name HN ) 3.52 3.52 0.00 assign (resid 6 and name HD1 ) (resid 7 and name HN ) 5.50 5.50 0.00 assign (resid 6 and name HD2 ) (resid 6 and name HD1 ) 2.40 2.40 0.00 assign (resid 6 and name HD2 ) (resid 7 and name HN ) 4.32 4.32 0.00 assign (resid 6 and name HG1 ) (resid 7 and name HN ) 5.50 5.50 0.00 assign (resid 6 and name HG2 ) (resid 7 and name HN ) 4.45 4.45 0.00 assign (resid 7 and name HA ) (resid 10 and name HB ) 4.91 4.91 0.00 assign (resid 7 and name HA ) (resid 10 and name HG1* ) 6.53 6.53 0.00 assign (resid 7 and name HA ) (resid 10 and name HG2* ) 6.43 6.43 0.00 assign (resid 7 and name HA ) (resid 10 and name HN ) 4.17 4.17 0.00 assign (resid 7 and name HB* ) (resid 7 and name HA ) 5.54 5.54 0.00 assign (resid 7 and name HB* ) (resid 8 and name HN ) 4.92 4.92 0.00 assign (resid 7 and name HN ) (resid 7 and name HA ) 3.24 3.24 0.00 assign (resid 7 and name HN ) (resid 7 and name HB* ) 3.95 3.95 0.00 assign (resid 7 and name HN ) (resid 8 and name HN ) 3.14 3.14 0.00 assign (resid 7 and name HN ) (resid 9 and name HN ) 4.66 4.66 0.00 assign (resid 8 and name HA ) (resid 8 and name HB1 ) 3.02 3.02 0.00 assign (resid 8 and name HA ) (resid 8 and name HB2 ) 3.05 3.05 0.00 assign (resid 8 and name HA ) (resid 9 and name HN ) 4.04 4.04 0.00 assign (resid 8 and name HA ) (resid 11 and name HB2 ) 4.45 4.45 0.00 assign (resid 8 and name HA ) (resid 12 and name HD22 ) 5.50 5.50 0.00 assign (resid 8 and name HB1 ) (resid 9 and name HN ) 3.64 3.64 0.00 assign (resid 8 and name HB2 ) (resid 8 and name HB1 ) 2.71 2.71 0.00 assign (resid 8 and name HB2 ) (resid 9 and name HN ) 4.32 4.32 0.00 assign (resid 8 and name HN ) (resid 8 and name HA ) 2.90 2.90 0.00 assign (resid 8 and name HN ) (resid 8 and name HA ) 3.14 3.14 0.00 assign (resid 8 and name HN ) (resid 8 and name HB1 ) 3.41 3.41 0.00 assign (resid 8 and name HN ) (resid 8 and name HB2 ) 3.02 3.02 0.00 assign (resid 8 and name HN ) (resid 9 and name HN ) 2.90 2.90 0.00 assign (resid 9 and name HA ) (resid 9 and name HG1 ) 4.60 4.60 0.00 assign (resid 9 and name HA ) (resid 9 and name HG2 ) 4.88 4.88 0.00 assign (resid 9 and name HA ) (resid 10 and name HN ) 3.55 3.55 0.00 assign (resid 9 and name HA ) (resid 12 and name HN ) 4.11 4.11 0.00 assign (resid 9 and name HB1 ) (resid 10 and name HN ) 3.86 3.86 0.00 assign (resid 9 and name HB2 ) (resid 10 and name HN ) 3.21 3.21 0.00 assign (resid 9 and name HG1 ) (resid 10 and name HN ) 5.50 5.50 0.00 assign (resid 9 and name HG2 ) (resid 10 and name HN ) 5.50 5.50 0.00 assign (resid 9 and name HN ) (resid 9 and name HA ) 3.33 3.33 0.00 assign (resid 9 and name HN ) (resid 9 and name HB1 ) 3.36 3.36 0.00 assign (resid 9 and name HN ) (resid 9 and name HB2 ) 3.52 3.52 0.00 assign (resid 9 and name HN ) (resid 9 and name HG1 ) 5.47 5.47 0.00 assign (resid 9 and name HN ) (resid 9 and name HG2 ) 5.50 5.50 0.00 assign (resid 9 and name HN ) (resid 10 and name HN ) 3.30 3.30 0.00 assign (resid 10 and name HA ) (resid 10 and name HB ) 3.02 3.02 0.00 assign (resid 10 and name HA ) (resid 10 and name HG1* ) 4.70 4.70 0.00 assign (resid 10 and name HA ) (resid 10 and name HG2* ) 5.13 5.13 0.00 assign (resid 10 and name HA ) (resid 11 and name HN ) 3.98 3.98 0.00 assign (resid 10 and name HA ) (resid 12 and name HN ) 4.32 4.32 0.00 assign (resid 10 and name HB ) (resid 11 and name HN ) 4.17 4.17 0.00 assign (resid 10 and name HG1* ) (resid 10 and name HB ) 4.30 4.30 0.00 assign (resid 10 and name HG1* ) (resid 11 and name HD22 ) 6.53 6.53 0.00 assign (resid 10 and name HG1* ) (resid 11 and name HN ) 6.53 6.53 0.00 assign (resid 10 and name HG2* ) (resid 10 and name HB ) 4.48 4.48 0.00 assign (resid 10 and name HG2* ) (resid 11 and name HD22 ) 6.53 6.53 0.00 assign (resid 10 and name HG2* ) (resid 11 and name HN ) 6.53 6.53 0.00 assign (resid 10 and name HN ) (resid 10 and name HA ) 3.08 3.08 0.00 assign (resid 10 and name HN ) (resid 10 and name HB ) 2.90 2.90 0.00 assign (resid 10 and name HN ) (resid 10 and name HG1* ) 5.01 5.01 0.00 assign (resid 10 and name HN ) (resid 10 and name HG2* ) 4.61 4.61 0.00 assign (resid 10 and name HN ) (resid 11 and name HN ) 3.11 3.11 0.00 assign (resid 11 and name HA ) (resid 12 and name HN ) 5.50 5.50 0.00 assign (resid 11 and name HB1 ) (resid 11 and name HD22 ) 5.50 5.50 0.00 assign (resid 11 and name HB1 ) (resid 12 and name HD21 ) 5.50 5.50 0.00 assign (resid 11 and name HB1 ) (resid 12 and name HD22 ) 5.25 5.25 0.00 assign (resid 11 and name HB1 ) (resid 12 and name HN ) 4.54 4.54 0.00 assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 4.17 4.17 0.00 assign (resid 11 and name HB2 ) (resid 11 and name HD21 ) 5.50 5.50 0.00 assign (resid 11 and name HB2 ) (resid 11 and name HD22 ) 4.76 4.76 0.00 assign (resid 11 and name HB2 ) (resid 12 and name HD21 ) 4.07 4.07 0.00 assign (resid 11 and name HB2 ) (resid 12 and name HD22 ) 4.76 4.76 0.00 assign (resid 11 and name HB2 ) (resid 12 and name HN ) 3.67 3.67 0.00 assign (resid 11 and name HD22 ) (resid 11 and name HD21 ) 2.40 2.40 0.00 assign (resid 11 and name HN ) (resid 11 and name HA ) 5.50 5.50 0.00 assign (resid 11 and name HN ) (resid 11 and name HB1 ) 4.54 4.54 0.00 assign (resid 11 and name HN ) (resid 11 and name HB2 ) 3.48 3.48 0.00 assign (resid 11 and name HN ) (resid 12 and name HN ) 2.99 2.99 0.00 assign (resid 12 and name HA ) (resid 12 and name HB1 ) 4.20 4.20 0.00 assign (resid 12 and name HA ) (resid 12 and name HB2 ) 3.48 3.48 0.00 assign (resid 12 and name HA ) (resid 12 and name HD21 ) 5.50 5.50 0.00 assign (resid 12 and name HA ) (resid 12 and name HD22 ) 5.50 5.50 0.00 assign (resid 12 and name HA ) (resid 13 and name HD1 ) 3.36 3.36 0.00 assign (resid 12 and name HA ) (resid 13 and name HD2 ) 4.60 4.60 0.00 assign (resid 12 and name HA ) (resid 14 and name HN ) 4.17 4.17 0.00 assign (resid 12 and name HB1 ) (resid 12 and name HD21 ) 3.86 3.86 0.00 assign (resid 12 and name HB1 ) (resid 12 and name HD22 ) 4.60 4.60 0.00 assign (resid 12 and name HB1 ) (resid 14 and name HE22 ) 5.50 5.50 0.00 assign (resid 12 and name HB2 ) (resid 12 and name HB1 ) 2.40 2.40 0.00 assign (resid 12 and name HB2 ) (resid 12 and name HD21 ) 3.11 3.11 0.00 assign (resid 12 and name HB2 ) (resid 12 and name HD22 ) 4.57 4.57 0.00 assign (resid 12 and name HD22 ) (resid 12 and name HD21 ) 2.40 2.40 0.00 assign (resid 12 and name HN ) (resid 12 and name HA ) 2.99 2.99 0.00 assign (resid 12 and name HN ) (resid 12 and name HB1 ) 3.48 3.48 0.00 assign (resid 12 and name HN ) (resid 12 and name HB2 ) 3.24 3.24 0.00 assign (resid 12 and name HN ) (resid 13 and name HD1 ) 5.10 5.10 0.00 assign (resid 12 and name HN ) (resid 13 and name HD2 ) 4.20 4.20 0.00 assign (resid 13 and name HA ) (resid 14 and name HN ) 3.73 3.73 0.00 assign (resid 13 and name HB1 ) (resid 13 and name HA ) 3.45 3.45 0.00 assign (resid 13 and name HB1 ) (resid 13 and name HD1 ) 5.50 5.50 0.00 assign (resid 13 and name HB1 ) (resid 13 and name HD2 ) 4.76 4.76 0.00 assign (resid 13 and name HB1 ) (resid 14 and name HN ) 4.91 4.91 0.00 assign (resid 13 and name HB2 ) (resid 13 and name HA ) 4.04 4.04 0.00 assign (resid 13 and name HB2 ) (resid 13 and name HB1 ) 2.68 2.68 0.00 assign (resid 13 and name HB2 ) (resid 13 and name HD1 ) 4.11 4.11 0.00 assign (resid 13 and name HB2 ) (resid 13 and name HD2 ) 5.10 5.10 0.00 assign (resid 13 and name HB2 ) (resid 14 and name HN ) 3.36 3.36 0.00 assign (resid 13 and name HD1 ) (resid 14 and name HN ) 4.60 4.60 0.00 assign (resid 13 and name HD2 ) (resid 13 and name HD1 ) 2.40 2.40 0.00 assign (resid 13 and name HD2 ) (resid 14 and name HN ) 5.50 5.50 0.00 assign (resid 13 and name HG* ) (resid 13 and name HD1 ) 6.38 6.38 0.00 assign (resid 13 and name HG* ) (resid 13 and name HD2 ) 5.35 5.35 0.00 assign (resid 13 and name HG* ) (resid 14 and name HN ) 6.38 6.38 0.00 assign (resid 14 and name HA ) (resid 15 and name HN ) 3.35 3.35 0.00 assign (resid 14 and name HB* ) (resid 15 and name HN ) 5.32 5.32 0.00 assign (resid 14 and name HE22 ) (resid 14 and name HE21 ) 2.40 2.40 0.00 assign (resid 14 and name HG1 ) (resid 14 and name HE21 ) 5.50 5.50 0.00 assign (resid 14 and name HG2 ) (resid 14 and name HE21 ) 5.50 5.50 0.00 assign (resid 14 and name HG2 ) (resid 14 and name HE22 ) 5.50 5.50 0.00 assign (resid 14 and name HG2 ) (resid 14 and name HG1 ) 2.40 2.40 0.00 assign (resid 14 and name HG2 ) (resid 15 and name HN ) 5.50 5.50 0.00 assign (resid 14 and name HN ) (resid 14 and name HA ) 3.33 3.33 0.00 assign (resid 14 and name HN ) (resid 14 and name HB* ) 4.45 4.45 0.00 assign (resid 14 and name HN ) (resid 14 and name HG1 ) 5.50 5.50 0.00 assign (resid 14 and name HN ) (resid 14 and name HG2 ) 5.50 5.50 0.00 assign (resid 14 and name HN ) (resid 15 and name HN ) 3.14 3.14 0.00 assign (resid 14 and name HN ) (resid 16 and name HN ) 4.72 4.72 0.00 assign (resid 15 and name HA ) (resid 15 and name HB ) 3.36 3.36 0.00 assign (resid 15 and name HA ) (resid 15 and name HD1* ) 6.16 6.16 0.00 assign (resid 15 and name HA ) (resid 15 and name HG11 ) 5.50 5.50 0.00 assign (resid 15 and name HA ) (resid 15 and name HG12 ) 5.00 5.00 0.00 assign (resid 15 and name HA ) (resid 15 and name HG2* ) 4.73 4.73 0.00 assign (resid 15 and name HA ) (resid 16 and name HN ) 3.70 3.70 0.00 assign (resid 15 and name HB ) (resid 16 and name HN ) 3.73 3.73 0.00 assign (resid 15 and name HG11 ) (resid 16 and name HN ) 5.50 5.50 0.00 assign (resid 15 and name HG2* ) (resid 16 and name HN ) 6.31 6.31 0.00 assign (resid 15 and name HN ) (resid 15 and name HA ) 2.96 2.96 0.00 assign (resid 15 and name HN ) (resid 15 and name HB ) 3.42 3.42 0.00 assign (resid 15 and name HN ) (resid 15 and name HD1* ) 6.53 6.53 0.00 assign (resid 15 and name HN ) (resid 15 and name HG11 ) 4.82 4.82 0.00 assign (resid 15 and name HN ) (resid 15 and name HG12 ) 4.54 4.54 0.00 assign (resid 15 and name HN ) (resid 15 and name HG2* ) 6.40 6.40 0.00 assign (resid 15 and name HN ) (resid 16 and name HN ) 2.99 2.99 0.00 assign (resid 16 and name HN ) (resid 16 and name HA ) 4.01 4.01 0.00 assign (resid 16 and name HN ) (resid 16 and name HB1 ) 4.14 4.14 0.00 assign (resid 16 and name HN ) (resid 16 and name HB2 ) 3.14 3.14 0.00 assign (resid 4 and name C ) (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) 1.0 -90.4 54.1 2 assign (resid 5 and name N ) (resid 5 and name CA ) (resid 5 and name C ) (resid 6 and name N ) 1.0 121.8 44.1 2 assign (resid 5 and name C ) (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) 1.0 -53.8 20.0 2 assign (resid 6 and name N ) (resid 6 and name CA ) (resid 6 and name C ) (resid 7 and name N ) 1.0 -33.8 20.0 2 assign (resid 6 and name C ) (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) 1.0 -74.9 35.8 2 assign (resid 7 and name N ) (resid 7 and name CA ) (resid 7 and name C ) (resid 8 and name N ) 1.0 -27.4 48.1 2 assign (resid 8 and name C ) (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) 1.0 -61.9 20.0 2 assign (resid 9 and name N ) (resid 9 and name CA ) (resid 9 and name C ) (resid 10 and name N ) 1.0 -40.6 20.0 2 assign (resid 9 and name C ) (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) 1.0 -63.4 20.0 2 assign (resid 10 and name N ) (resid 10 and name CA ) (resid 10 and name C ) (resid 11 and name N ) 1.0 -34.7 20.0 2 assign (resid 11 and name C ) (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) 1.0 -101.0 60.1 2 assign (resid 12 and name N ) (resid 12 and name CA ) (resid 12 and name C ) (resid 13 and name N ) 1.0 109.5 70.0 2 assign (resid 12 and name C ) (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) 1.0 -58.5 20.0 2 assign (resid 13 and name N ) (resid 13 and name CA ) (resid 13 and name C ) (resid 14 and name N ) 1.0 -28.2 20.0 2 assign (resid 14 and name C ) (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) 1.0 -98.1 29.6 2 assign (resid 15 and name N ) (resid 15 and name CA ) (resid 15 and name C ) (resid 16 and name N ) 1.0 -11.5 38.1 2 Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1HT GLY 1 -6.907 4.855 -3.162 2 H2 GLY 1 2HT GLY 1 -7.079 6.486 -2.719 3 H3 GLY 1 3HT GLY 1 -6.835 5.300 -1.522 4 HA2 GLY 1 2HA GLY 1 -4.880 6.122 -3.601 5 HA3 GLY 1 1HA GLY 1 -4.799 6.501 -1.882 6 H CYS 2 H CYS 2 -2.657 5.321 -2.143 7 HA CYS 2 HA CYS 2 -2.556 2.507 -2.690 8 HB2 CYS 2 2HB CYS 2 -0.675 4.259 -2.581 9 HB3 CYS 2 1HB CYS 2 -0.725 4.038 -0.837 10 H CYS 3 H CYS 3 -2.327 4.182 0.418 11 HA CYS 3 HA CYS 3 -2.474 1.952 2.123 12 HB2 CYS 3 2HB CYS 3 -3.511 4.780 2.465 13 HB3 CYS 3 1HB CYS 3 -3.313 3.636 3.787 14 H SER 4 H SER 4 -5.106 3.673 0.478 15 HA SER 4 HA SER 4 -7.285 2.495 1.937 16 HB2 SER 4 2HB SER 4 -7.752 3.027 -0.912 17 HB3 SER 4 1HB SER 4 -8.481 3.790 0.497 18 HG SER 4 HG SER 4 -6.724 5.156 0.644 19 H ASN 5 H ASN 5 -5.183 1.309 -0.609 20 HA ASN 5 HA ASN 5 -6.913 -1.088 -1.038 21 HB2 ASN 5 2HB ASN 5 -5.984 0.403 -2.921 22 HB3 ASN 5 1HB ASN 5 -4.394 -0.228 -2.493 23 HD21 ASN 5 1HD2 ASN 5 -5.428 -0.752 -5.064 24 HD22 ASN 5 2HD2 ASN 5 -5.814 -2.400 -5.188 25 HA PRO 6 HA PRO 6 -4.094 -3.164 1.758 26 HB2 PRO 6 2HB PRO 6 -5.010 -5.714 1.235 27 HB3 PRO 6 1HB PRO 6 -5.823 -4.588 2.344 28 HG2 PRO 6 2HG PRO 6 -6.431 -5.190 -0.530 29 HG3 PRO 6 1HG PRO 6 -7.544 -5.013 0.838 30 HD2 PRO 6 2HD PRO 6 -7.194 -3.024 -0.908 31 HD3 PRO 6 1HD PRO 6 -7.407 -2.694 0.829 32 H ALA 7 H ALA 7 -4.690 -4.239 -1.586 33 HA ALA 7 HA ALA 7 -2.327 -5.800 -1.974 34 HB1 ALA 7 1HB ALA 7 -4.098 -4.102 -3.759 35 HB2 ALA 7 2HB ALA 7 -4.097 -5.860 -3.594 36 HB3 ALA 7 3HB ALA 7 -2.759 -5.049 -4.410 37 H CYS 8 H CYS 8 -2.971 -2.315 -2.340 38 HA CYS 8 HA CYS 8 -0.303 -1.625 -3.243 39 HB2 CYS 8 2HB CYS 8 -2.612 -0.378 -3.398 40 HB3 CYS 8 1HB CYS 8 -2.181 0.235 -1.804 41 H MET 9 H MET 9 -1.993 -1.539 -0.090 42 HA MET 9 HA MET 9 -0.036 -0.368 1.542 43 HB2 MET 9 2HB MET 9 -2.197 -2.428 1.841 44 HB3 MET 9 1HB MET 9 -1.097 -2.181 3.191 45 HG2 MET 9 2HG MET 9 -1.655 0.393 2.594 46 HG3 MET 9 1HG MET 9 -3.167 -0.366 2.090 47 HE1 MET 9 3HE MET 9 -4.013 -2.517 5.241 48 HE2 MET 9 1HE MET 9 -3.355 -2.793 3.624 49 HE3 MET 9 2HE MET 9 -4.794 -1.792 3.837 50 H VAL 10 H VAL 10 -0.427 -3.869 0.886 51 HA VAL 10 HA VAL 10 1.928 -4.698 2.274 52 HB VAL 10 HB VAL 10 0.439 -5.942 -0.068 53 HG11 VAL 10 1HG1 VAL 10 1.431 -7.925 1.659 54 HG12 VAL 10 2HG1 VAL 10 2.772 -6.808 1.426 55 HG13 VAL 10 3HG1 VAL 10 2.002 -7.564 0.031 56 HG21 VAL 10 3HG2 VAL 10 -0.046 -5.788 2.885 57 HG22 VAL 10 1HG2 VAL 10 -0.434 -7.299 2.060 58 HG23 VAL 10 2HG2 VAL 10 -1.206 -5.797 1.554 59 H ASN 11 H ASN 11 1.423 -3.804 -1.139 60 HA ASN 11 HA ASN 11 4.154 -4.469 -1.937 61 HB2 ASN 11 2HB ASN 11 1.732 -3.163 -3.129 62 HB3 ASN 11 1HB ASN 11 3.283 -2.962 -3.944 63 HD21 ASN 11 1HD2 ASN 11 0.605 -4.967 -3.882 64 HD22 ASN 11 2HD2 ASN 11 1.322 -6.397 -4.450 65 H ASN 12 H ASN 12 2.539 -1.568 -0.708 66 HA ASN 12 HA ASN 12 5.098 -0.047 -1.121 67 HB2 ASN 12 2HB ASN 12 2.192 0.608 -1.380 68 HB3 ASN 12 1HB ASN 12 3.278 1.887 -0.840 69 HD21 ASN 12 1HD2 ASN 12 2.617 -0.334 -3.559 70 HD22 ASN 12 2HD2 ASN 12 3.575 0.503 -4.681 71 HA PRO 13 HA PRO 13 4.385 -0.487 3.436 72 HB2 PRO 13 2HB PRO 13 7.033 -0.880 4.046 73 HB3 PRO 13 1HB PRO 13 5.927 -2.201 3.622 74 HG2 PRO 13 2HG PRO 13 7.930 -0.796 1.918 75 HG3 PRO 13 1HG PRO 13 7.535 -2.522 2.002 76 HD2 PRO 13 2HD PRO 13 6.621 -0.917 0.025 77 HD3 PRO 13 1HD PRO 13 5.689 -2.302 0.642 78 H GLN 14 H GLN 14 6.714 1.306 1.478 79 HA GLN 14 HA GLN 14 7.480 3.262 3.457 80 HB2 GLN 14 2HB GLN 14 7.310 3.817 0.495 81 HB3 GLN 14 1HB GLN 14 8.533 4.357 1.640 82 HG2 GLN 14 2HG GLN 14 9.793 2.666 0.786 83 HG3 GLN 14 1HG GLN 14 8.786 1.611 1.783 84 HE21 GLN 14 1HE2 GLN 14 9.878 1.892 -1.344 85 HE22 GLN 14 2HE2 GLN 14 8.589 1.146 -2.157 86 H ILE 15 H ILE 15 4.952 3.107 1.016 87 HA ILE 15 HA ILE 15 3.882 5.759 1.544 88 HB ILE 15 HB ILE 15 2.635 3.310 0.230 89 HG12 ILE 15 2HG1 ILE 15 4.867 4.031 -0.728 90 HG13 ILE 15 1HG1 ILE 15 3.525 4.119 -1.864 91 HG21 ILE 15 1HG2 ILE 15 1.042 5.127 0.790 92 HG22 ILE 15 2HG2 ILE 15 1.238 4.932 -0.947 93 HG23 ILE 15 3HG2 ILE 15 2.035 6.264 -0.119 94 HD11 ILE 15 3HD1 ILE 15 3.280 6.566 -1.243 95 HD12 ILE 15 1HD1 ILE 15 4.779 6.168 -2.083 96 HD13 ILE 15 2HD1 ILE 15 4.785 6.412 -0.336 97 H CYS 16 H CYS 16 2.958 2.434 2.472 98 HA CYS 16 HA CYS 16 1.244 3.614 4.633 99 HB2 CYS 16 2HB CYS 16 0.884 0.970 3.185 100 HB3 CYS 16 1HB CYS 16 -0.269 1.758 4.263 101 HN1 NH2 17 HN1 NH2 17 2.482 3.283 6.538 102 HN2 NH2 17 HN2 NH2 17 3.255 1.825 6.935 Start of MODEL 2 1 H1 GLY 1 1HT GLY 1 -7.107 5.149 -2.395 2 H2 GLY 1 2HT GLY 1 -7.116 6.836 -2.245 3 H3 GLY 1 3HT GLY 1 -6.638 5.860 -0.937 4 HA2 GLY 1 2HA GLY 1 -5.216 6.234 -3.507 5 HA3 GLY 1 1HA GLY 1 -4.691 6.784 -1.915 6 H CYS 2 H CYS 2 -2.737 5.477 -2.220 7 HA CYS 2 HA CYS 2 -2.651 2.692 -2.720 8 HB2 CYS 2 2HB CYS 2 -0.762 4.373 -2.579 9 HB3 CYS 2 1HB CYS 2 -0.888 4.264 -0.830 10 H CYS 3 H CYS 3 -2.515 4.293 0.432 11 HA CYS 3 HA CYS 3 -2.645 2.045 2.102 12 HB2 CYS 3 2HB CYS 3 -3.914 4.773 2.469 13 HB3 CYS 3 1HB CYS 3 -3.566 3.633 3.768 14 H SER 4 H SER 4 -5.343 3.651 0.421 15 HA SER 4 HA SER 4 -7.494 2.296 1.778 16 HB2 SER 4 2HB SER 4 -7.629 3.067 -1.120 17 HB3 SER 4 1HB SER 4 -8.808 3.336 0.163 18 HG SER 4 HG SER 4 -7.775 5.107 0.766 19 H ASN 5 H ASN 5 -5.143 1.186 -0.513 20 HA ASN 5 HA ASN 5 -6.804 -1.189 -1.259 21 HB2 ASN 5 2HB ASN 5 -5.813 0.305 -3.018 22 HB3 ASN 5 1HB ASN 5 -4.212 -0.077 -2.391 23 HD21 ASN 5 1HD2 ASN 5 -5.182 -0.733 -5.098 24 HD22 ASN 5 2HD2 ASN 5 -5.158 -2.428 -5.226 25 HA PRO 6 HA PRO 6 -4.274 -3.358 1.722 26 HB2 PRO 6 2HB PRO 6 -5.026 -5.897 0.989 27 HB3 PRO 6 1HB PRO 6 -6.024 -4.840 2.006 28 HG2 PRO 6 2HG PRO 6 -6.227 -5.359 -0.928 29 HG3 PRO 6 1HG PRO 6 -7.516 -5.254 0.286 30 HD2 PRO 6 2HD PRO 6 -6.970 -3.212 -1.366 31 HD3 PRO 6 1HD PRO 6 -7.476 -2.940 0.319 32 H ALA 7 H ALA 7 -4.447 -4.388 -1.711 33 HA ALA 7 HA ALA 7 -1.948 -5.807 -1.792 34 HB1 ALA 7 1HB ALA 7 -2.156 -5.127 -4.297 35 HB2 ALA 7 2HB ALA 7 -3.641 -4.309 -3.812 36 HB3 ALA 7 3HB ALA 7 -3.489 -6.050 -3.606 37 H CYS 8 H CYS 8 -2.788 -2.388 -2.364 38 HA CYS 8 HA CYS 8 -0.154 -1.477 -3.066 39 HB2 CYS 8 2HB CYS 8 -2.565 -0.387 -3.183 40 HB3 CYS 8 1HB CYS 8 -2.124 0.236 -1.592 41 H MET 9 H MET 9 -1.911 -1.637 0.042 42 HA MET 9 HA MET 9 -0.011 -0.425 1.759 43 HB2 MET 9 2HB MET 9 -2.424 -1.615 2.038 44 HB3 MET 9 1HB MET 9 -1.413 -2.930 2.627 45 HG2 MET 9 2HG MET 9 -1.838 -1.708 4.587 46 HG3 MET 9 1HG MET 9 -0.273 -1.073 4.078 47 HE1 MET 9 3HE MET 9 -3.770 -0.535 4.975 48 HE2 MET 9 1HE MET 9 -3.848 1.228 5.089 49 HE3 MET 9 2HE MET 9 -2.643 0.335 6.016 50 H VAL 10 H VAL 10 -0.321 -3.857 0.835 51 HA VAL 10 HA VAL 10 2.081 -4.728 2.199 52 HB VAL 10 HB VAL 10 0.414 -5.917 -0.051 53 HG11 VAL 10 1HG1 VAL 10 2.313 -7.230 -0.186 54 HG12 VAL 10 2HG1 VAL 10 1.468 -8.076 1.110 55 HG13 VAL 10 3HG1 VAL 10 2.769 -6.949 1.495 56 HG21 VAL 10 3HG2 VAL 10 -0.325 -5.400 2.552 57 HG22 VAL 10 1HG2 VAL 10 0.311 -7.039 2.682 58 HG23 VAL 10 2HG2 VAL 10 -1.005 -6.692 1.561 59 H ASN 11 H ASN 11 1.375 -3.984 -1.236 60 HA ASN 11 HA ASN 11 4.020 -4.597 -2.207 61 HB2 ASN 11 2HB ASN 11 1.602 -3.103 -3.173 62 HB3 ASN 11 1HB ASN 11 3.110 -2.937 -4.068 63 HD21 ASN 11 1HD2 ASN 11 0.579 -5.234 -3.152 64 HD22 ASN 11 2HD2 ASN 11 1.072 -6.464 -4.216 65 H ASN 12 H ASN 12 2.582 -1.638 -0.838 66 HA ASN 12 HA ASN 12 5.271 -0.333 -1.136 67 HB2 ASN 12 2HB ASN 12 2.494 0.498 -1.798 68 HB3 ASN 12 1HB ASN 12 3.536 1.741 -1.106 69 HD21 ASN 12 1HD2 ASN 12 2.765 0.085 -3.996 70 HD22 ASN 12 2HD2 ASN 12 4.081 0.618 -4.928 71 HA PRO 13 HA PRO 13 3.963 -0.427 3.334 72 HB2 PRO 13 2HB PRO 13 6.448 -1.101 4.305 73 HB3 PRO 13 1HB PRO 13 5.235 -2.303 3.819 74 HG2 PRO 13 2HG PRO 13 7.591 -1.287 2.298 75 HG3 PRO 13 1HG PRO 13 6.972 -2.939 2.440 76 HD2 PRO 13 2HD PRO 13 6.501 -1.416 0.263 77 HD3 PRO 13 1HD PRO 13 5.324 -2.609 0.861 78 H GLN 14 H GLN 14 6.744 0.881 1.594 79 HA GLN 14 HA GLN 14 7.534 2.896 3.484 80 HB2 GLN 14 2HB GLN 14 8.513 3.947 1.372 81 HB3 GLN 14 1HB GLN 14 9.000 2.281 1.675 82 HG2 GLN 14 2HG GLN 14 7.726 1.445 -0.080 83 HG3 GLN 14 1HG GLN 14 6.548 2.752 0.023 84 HE21 GLN 14 1HE2 GLN 14 6.933 2.869 -2.431 85 HE22 GLN 14 2HE2 GLN 14 8.260 3.774 -2.979 86 H ILE 15 H ILE 15 4.835 2.694 1.302 87 HA ILE 15 HA ILE 15 4.321 5.603 1.330 88 HB ILE 15 HB ILE 15 2.728 3.235 0.285 89 HG12 ILE 15 2HG1 ILE 15 5.020 3.533 -0.731 90 HG13 ILE 15 1HG1 ILE 15 3.704 3.731 -1.881 91 HG21 ILE 15 1HG2 ILE 15 1.134 4.871 0.202 92 HG22 ILE 15 2HG2 ILE 15 2.011 5.339 -1.255 93 HG23 ILE 15 3HG2 ILE 15 2.315 6.179 0.264 94 HD11 ILE 15 3HD1 ILE 15 5.748 5.602 -1.199 95 HD12 ILE 15 1HD1 ILE 15 4.195 6.276 -0.701 96 HD13 ILE 15 2HD1 ILE 15 4.446 5.779 -2.378 97 H CYS 16 H CYS 16 2.748 2.636 2.592 98 HA CYS 16 HA CYS 16 1.074 4.373 4.365 99 HB2 CYS 16 2HB CYS 16 0.837 1.462 3.530 100 HB3 CYS 16 1HB CYS 16 -0.330 2.331 4.526 101 HN1 NH2 17 HN1 NH2 17 4.000 3.485 4.886 102 HN2 NH2 17 HN2 NH2 17 3.923 2.714 6.395 Start of MODEL 3 1 H1 GLY 1 1HT GLY 1 -7.775 6.208 -2.299 2 H2 GLY 1 2HT GLY 1 -7.265 6.979 -0.880 3 H3 GLY 1 3HT GLY 1 -7.132 5.292 -1.024 4 HA2 GLY 1 2HA GLY 1 -5.788 6.734 -3.127 5 HA3 GLY 1 1HA GLY 1 -5.151 7.066 -1.515 6 H CYS 2 H CYS 2 -3.216 5.872 -2.332 7 HA CYS 2 HA CYS 2 -3.261 3.129 -3.078 8 HB2 CYS 2 2HB CYS 2 -1.396 5.048 -2.969 9 HB3 CYS 2 1HB CYS 2 -0.991 4.200 -1.477 10 H CYS 3 H CYS 3 -2.811 4.623 0.104 11 HA CYS 3 HA CYS 3 -2.411 2.287 1.653 12 HB2 CYS 3 2HB CYS 3 -3.760 4.936 2.261 13 HB3 CYS 3 1HB CYS 3 -3.373 3.746 3.501 14 H SER 4 H SER 4 -5.421 3.638 0.336 15 HA SER 4 HA SER 4 -7.249 2.080 1.933 16 HB2 SER 4 2HB SER 4 -7.854 2.813 -0.902 17 HB3 SER 4 1HB SER 4 -8.836 3.035 0.538 18 HG SER 4 HG SER 4 -7.443 4.721 1.159 19 H ASN 5 H ASN 5 -5.113 1.218 -0.656 20 HA ASN 5 HA ASN 5 -6.652 -1.237 -1.330 21 HB2 ASN 5 2HB ASN 5 -5.619 0.341 -3.054 22 HB3 ASN 5 1HB ASN 5 -4.035 -0.183 -2.466 23 HD21 ASN 5 1HD2 ASN 5 -4.836 -0.702 -5.155 24 HD22 ASN 5 2HD2 ASN 5 -5.040 -2.375 -5.341 25 HA PRO 6 HA PRO 6 -4.036 -3.341 1.650 26 HB2 PRO 6 2HB PRO 6 -4.830 -5.894 0.970 27 HB3 PRO 6 1HB PRO 6 -5.778 -4.831 2.031 28 HG2 PRO 6 2HG PRO 6 -6.107 -5.349 -0.894 29 HG3 PRO 6 1HG PRO 6 -7.341 -5.252 0.377 30 HD2 PRO 6 2HD PRO 6 -6.892 -3.190 -1.279 31 HD3 PRO 6 1HD PRO 6 -7.284 -2.925 0.438 32 H ALA 7 H ALA 7 -4.344 -4.162 -1.803 33 HA ALA 7 HA ALA 7 -1.946 -5.697 -2.099 34 HB1 ALA 7 1HB ALA 7 -4.003 -4.916 -3.703 35 HB2 ALA 7 2HB ALA 7 -2.480 -5.525 -4.345 36 HB3 ALA 7 3HB ALA 7 -2.762 -3.788 -4.246 37 H CYS 8 H CYS 8 -2.573 -2.181 -2.477 38 HA CYS 8 HA CYS 8 0.162 -1.445 -2.934 39 HB2 CYS 8 2HB CYS 8 -1.621 0.074 -3.485 40 HB3 CYS 8 1HB CYS 8 -2.233 0.048 -1.831 41 H MET 9 H MET 9 -1.813 -1.547 0.043 42 HA MET 9 HA MET 9 0.022 -0.542 1.910 43 HB2 MET 9 2HB MET 9 -2.289 -2.393 1.843 44 HB3 MET 9 1HB MET 9 -1.268 -2.532 3.270 45 HG2 MET 9 2HG MET 9 -1.549 -0.181 3.777 46 HG3 MET 9 1HG MET 9 -2.386 0.094 2.248 47 HE1 MET 9 3HE MET 9 -2.960 -2.737 5.308 48 HE2 MET 9 1HE MET 9 -3.811 -1.457 6.186 49 HE3 MET 9 2HE MET 9 -2.173 -1.186 5.593 50 H VAL 10 H VAL 10 -0.317 -3.964 0.874 51 HA VAL 10 HA VAL 10 2.032 -4.739 2.447 52 HB VAL 10 HB VAL 10 -0.059 -6.110 2.050 53 HG11 VAL 10 1HG1 VAL 10 -0.544 -7.057 -0.019 54 HG12 VAL 10 2HG1 VAL 10 1.119 -6.910 -0.592 55 HG13 VAL 10 3HG1 VAL 10 0.087 -5.484 -0.505 56 HG21 VAL 10 3HG2 VAL 10 2.617 -7.294 1.270 57 HG22 VAL 10 1HG2 VAL 10 1.200 -8.249 1.707 58 HG23 VAL 10 2HG2 VAL 10 1.947 -7.182 2.897 59 H ASN 11 H ASN 11 1.406 -3.925 -0.941 60 HA ASN 11 HA ASN 11 3.997 -4.979 -1.855 61 HB2 ASN 11 2HB ASN 11 1.701 -3.415 -3.030 62 HB3 ASN 11 1HB ASN 11 3.211 -3.559 -3.920 63 HD21 ASN 11 1HD2 ASN 11 0.512 -5.470 -2.572 64 HD22 ASN 11 2HD2 ASN 11 0.830 -6.860 -3.491 65 H ASN 12 H ASN 12 2.695 -1.863 -0.782 66 HA ASN 12 HA ASN 12 5.443 -0.707 -1.095 67 HB2 ASN 12 2HB ASN 12 2.749 0.191 -1.999 68 HB3 ASN 12 1HB ASN 12 3.817 1.437 -1.364 69 HD21 ASN 12 1HD2 ASN 12 3.166 -0.561 -4.112 70 HD22 ASN 12 2HD2 ASN 12 4.529 -0.126 -5.021 71 HA PRO 13 HA PRO 13 3.960 -0.434 3.301 72 HB2 PRO 13 2HB PRO 13 6.429 -0.967 4.389 73 HB3 PRO 13 1HB PRO 13 5.256 -2.231 3.954 74 HG2 PRO 13 2HG PRO 13 7.634 -1.245 2.439 75 HG3 PRO 13 1HG PRO 13 7.062 -2.905 2.680 76 HD2 PRO 13 2HD PRO 13 6.613 -1.566 0.388 77 HD3 PRO 13 1HD PRO 13 5.442 -2.732 1.045 78 H GLN 14 H GLN 14 6.764 0.921 1.607 79 HA GLN 14 HA GLN 14 7.494 2.975 3.442 80 HB2 GLN 14 2HB GLN 14 7.474 2.975 0.406 81 HB3 GLN 14 1HB GLN 14 8.420 4.065 1.414 82 HG2 GLN 14 2HG GLN 14 9.946 2.443 1.981 83 HG3 GLN 14 1HG GLN 14 8.755 1.145 1.913 84 HE21 GLN 14 1HE2 GLN 14 8.073 0.426 -0.337 85 HE22 GLN 14 2HE2 GLN 14 9.141 0.653 -1.634 86 H ILE 15 H ILE 15 4.947 2.840 1.025 87 HA ILE 15 HA ILE 15 4.189 5.631 1.216 88 HB ILE 15 HB ILE 15 2.686 3.185 0.221 89 HG12 ILE 15 2HG1 ILE 15 4.893 3.468 -0.884 90 HG13 ILE 15 1HG1 ILE 15 3.576 3.823 -1.997 91 HG21 ILE 15 1HG2 ILE 15 1.111 4.950 0.393 92 HG22 ILE 15 2HG2 ILE 15 1.642 5.003 -1.288 93 HG23 ILE 15 3HG2 ILE 15 2.290 6.161 -0.127 94 HD11 ILE 15 3HD1 ILE 15 4.970 5.639 -2.367 95 HD12 ILE 15 1HD1 ILE 15 5.497 5.714 -0.684 96 HD13 ILE 15 2HD1 ILE 15 3.891 6.289 -1.133 97 H CYS 16 H CYS 16 2.799 2.613 2.571 98 HA CYS 16 HA CYS 16 1.195 4.332 4.442 99 HB2 CYS 16 2HB CYS 16 0.682 1.477 3.543 100 HB3 CYS 16 1HB CYS 16 -0.434 2.534 4.405 101 HN1 NH2 17 HN1 NH2 17 3.774 3.934 5.357 102 HN2 NH2 17 HN2 NH2 17 3.826 2.726 6.547 Start of MODEL 4 1 H1 GLY 1 1HT GLY 1 -6.577 5.151 -1.770 2 H2 GLY 1 2HT GLY 1 -6.890 5.496 -3.404 3 H3 GLY 1 3HT GLY 1 -6.706 6.760 -2.290 4 HA2 GLY 1 2HA GLY 1 -4.766 6.121 -3.868 5 HA3 GLY 1 1HA GLY 1 -4.445 6.555 -2.190 6 H CYS 2 H CYS 2 -2.525 5.213 -2.226 7 HA CYS 2 HA CYS 2 -2.691 2.363 -2.781 8 HB2 CYS 2 2HB CYS 2 -0.687 4.017 -2.881 9 HB3 CYS 2 1HB CYS 2 -0.562 3.728 -1.150 10 H CYS 3 H CYS 3 -2.310 4.262 0.166 11 HA CYS 3 HA CYS 3 -2.328 2.157 2.061 12 HB2 CYS 3 2HB CYS 3 -3.300 5.026 2.165 13 HB3 CYS 3 1HB CYS 3 -3.168 4.001 3.591 14 H SER 4 H SER 4 -5.037 3.488 0.229 15 HA SER 4 HA SER 4 -7.083 2.387 2.032 16 HB2 SER 4 2HB SER 4 -8.465 3.034 -0.126 17 HB3 SER 4 1HB SER 4 -7.773 4.303 0.882 18 HG SER 4 HG SER 4 -6.799 3.218 -1.554 19 H ASN 5 H ASN 5 -4.990 1.001 -0.246 20 HA ASN 5 HA ASN 5 -6.922 -1.220 -0.845 21 HB2 ASN 5 2HB ASN 5 -6.127 0.120 -2.788 22 HB3 ASN 5 1HB ASN 5 -4.460 -0.230 -2.338 23 HD21 ASN 5 1HD2 ASN 5 -5.704 -0.991 -4.873 24 HD22 ASN 5 2HD2 ASN 5 -5.693 -2.683 -4.945 25 HA PRO 6 HA PRO 6 -4.167 -3.466 1.858 26 HB2 PRO 6 2HB PRO 6 -5.020 -6.004 1.197 27 HB3 PRO 6 1HB PRO 6 -5.881 -4.932 2.318 28 HG2 PRO 6 2HG PRO 6 -6.407 -5.442 -0.580 29 HG3 PRO 6 1HG PRO 6 -7.554 -5.316 0.767 30 HD2 PRO 6 2HD PRO 6 -7.161 -3.274 -0.925 31 HD3 PRO 6 1HD PRO 6 -7.463 -2.998 0.805 32 H ALA 7 H ALA 7 -4.648 -4.721 -1.476 33 HA ALA 7 HA ALA 7 -2.132 -6.038 -1.763 34 HB1 ALA 7 1HB ALA 7 -4.091 -6.155 -3.318 35 HB2 ALA 7 2HB ALA 7 -2.597 -5.774 -4.166 36 HB3 ALA 7 3HB ALA 7 -3.763 -4.499 -3.821 37 H CYS 8 H CYS 8 -3.089 -2.651 -2.349 38 HA CYS 8 HA CYS 8 -0.481 -1.763 -3.245 39 HB2 CYS 8 2HB CYS 8 -2.945 -0.763 -3.392 40 HB3 CYS 8 1HB CYS 8 -2.453 0.043 -1.907 41 H MET 9 H MET 9 -2.170 -1.732 -0.065 42 HA MET 9 HA MET 9 -0.312 -0.271 1.470 43 HB2 MET 9 2HB MET 9 -2.214 -2.553 1.953 44 HB3 MET 9 1HB MET 9 -1.195 -1.984 3.266 45 HG2 MET 9 2HG MET 9 -2.173 0.165 3.263 46 HG3 MET 9 1HG MET 9 -2.836 -0.049 1.642 47 HE1 MET 9 3HE MET 9 -4.695 -0.949 5.617 48 HE2 MET 9 1HE MET 9 -3.807 0.458 5.017 49 HE3 MET 9 2HE MET 9 -2.954 -1.048 5.357 50 H VAL 10 H VAL 10 -0.375 -3.771 0.763 51 HA VAL 10 HA VAL 10 2.077 -4.354 2.189 52 HB VAL 10 HB VAL 10 0.685 -5.868 -0.052 53 HG11 VAL 10 1HG1 VAL 10 1.673 -7.848 1.159 54 HG12 VAL 10 2HG1 VAL 10 2.605 -6.710 2.136 55 HG13 VAL 10 3HG1 VAL 10 2.862 -6.800 0.396 56 HG21 VAL 10 3HG2 VAL 10 0.054 -5.498 2.843 57 HG22 VAL 10 1HG2 VAL 10 -0.137 -7.120 2.175 58 HG23 VAL 10 2HG2 VAL 10 -1.033 -5.773 1.482 59 H ASN 11 H ASN 11 1.274 -3.570 -1.170 60 HA ASN 11 HA ASN 11 3.887 -4.101 -2.286 61 HB2 ASN 11 2HB ASN 11 1.296 -3.232 -3.116 62 HB3 ASN 11 1HB ASN 11 2.467 -2.060 -3.714 63 HD21 ASN 11 1HD2 ASN 11 1.683 -5.553 -3.728 64 HD22 ASN 11 2HD2 ASN 11 2.576 -5.901 -5.129 65 H ASN 12 H ASN 12 2.371 -1.216 -0.851 66 HA ASN 12 HA ASN 12 4.982 0.226 -1.192 67 HB2 ASN 12 2HB ASN 12 2.091 1.006 -1.370 68 HB3 ASN 12 1HB ASN 12 3.274 2.219 -0.887 69 HD21 ASN 12 1HD2 ASN 12 2.469 -0.044 -3.539 70 HD22 ASN 12 2HD2 ASN 12 3.361 0.776 -4.727 71 HA PRO 13 HA PRO 13 4.074 -0.376 3.367 72 HB2 PRO 13 2HB PRO 13 6.633 -1.165 4.000 73 HB3 PRO 13 1HB PRO 13 5.353 -2.307 3.529 74 HG2 PRO 13 2HG PRO 13 7.544 -1.131 1.866 75 HG3 PRO 13 1HG PRO 13 6.948 -2.802 1.927 76 HD2 PRO 13 2HD PRO 13 6.222 -1.128 -0.044 77 HD3 PRO 13 1HD PRO 13 5.095 -2.337 0.621 78 H GLN 14 H GLN 14 6.675 1.100 1.481 79 HA GLN 14 HA GLN 14 7.766 2.853 3.463 80 HB2 GLN 14 2HB GLN 14 7.404 3.453 0.516 81 HB3 GLN 14 1HB GLN 14 8.695 4.020 1.568 82 HG2 GLN 14 2HG GLN 14 9.907 2.268 0.810 83 HG3 GLN 14 1HG GLN 14 8.840 1.238 1.764 84 HE21 GLN 14 1HE2 GLN 14 9.715 2.144 -1.495 85 HE22 GLN 14 2HE2 GLN 14 8.542 1.202 -2.280 86 H ILE 15 H ILE 15 5.014 3.143 1.294 87 HA ILE 15 HA ILE 15 4.359 5.867 2.240 88 HB ILE 15 HB ILE 15 2.844 3.980 0.398 89 HG12 ILE 15 2HG1 ILE 15 4.938 6.076 -0.286 90 HG13 ILE 15 1HG1 ILE 15 5.173 4.329 -0.386 91 HG21 ILE 15 1HG2 ILE 15 2.807 6.984 0.814 92 HG22 ILE 15 2HG2 ILE 15 1.489 5.852 1.119 93 HG23 ILE 15 3HG2 ILE 15 2.012 6.172 -0.536 94 HD11 ILE 15 3HD1 ILE 15 4.601 4.995 -2.592 95 HD12 ILE 15 1HD1 ILE 15 3.315 6.058 -2.018 96 HD13 ILE 15 2HD1 ILE 15 3.121 4.309 -1.927 97 H CYS 16 H CYS 16 2.917 2.587 2.347 98 HA CYS 16 HA CYS 16 1.081 3.546 4.524 99 HB2 CYS 16 2HB CYS 16 0.953 1.054 2.797 100 HB3 CYS 16 1HB CYS 16 -0.327 1.684 3.830 101 HN1 NH2 17 HN1 NH2 17 2.854 3.272 6.175 102 HN2 NH2 17 HN2 NH2 17 3.314 1.718 6.676 Start of MODEL 5 1 H1 GLY 1 1HT GLY 1 -7.032 6.319 -2.819 2 H2 GLY 1 2HT GLY 1 -6.771 5.341 -1.452 3 H3 GLY 1 3HT GLY 1 -6.893 4.643 -2.994 4 HA2 GLY 1 2HA GLY 1 -4.882 5.897 -3.662 5 HA3 GLY 1 1HA GLY 1 -4.712 6.370 -1.974 6 H CYS 2 H CYS 2 -2.602 5.104 -2.379 7 HA CYS 2 HA CYS 2 -2.552 2.282 -2.728 8 HB2 CYS 2 2HB CYS 2 -0.678 4.080 -2.700 9 HB3 CYS 2 1HB CYS 2 -0.655 3.810 -0.963 10 H CYS 3 H CYS 3 -2.431 4.166 0.270 11 HA CYS 3 HA CYS 3 -2.522 1.976 2.083 12 HB2 CYS 3 2HB CYS 3 -3.010 4.896 2.138 13 HB3 CYS 3 1HB CYS 3 -3.784 3.984 3.436 14 H SER 4 H SER 4 -5.164 3.628 0.382 15 HA SER 4 HA SER 4 -7.315 2.416 1.894 16 HB2 SER 4 2HB SER 4 -7.765 3.052 -0.967 17 HB3 SER 4 1HB SER 4 -8.615 3.649 0.455 18 HG SER 4 HG SER 4 -7.076 5.202 0.729 19 H ASN 5 H ASN 5 -5.230 1.319 -0.696 20 HA ASN 5 HA ASN 5 -6.950 -1.041 -1.271 21 HB2 ASN 5 2HB ASN 5 -5.868 0.389 -3.050 22 HB3 ASN 5 1HB ASN 5 -4.301 -0.158 -2.458 23 HD21 ASN 5 1HD2 ASN 5 -5.412 -0.696 -5.139 24 HD22 ASN 5 2HD2 ASN 5 -5.561 -2.380 -5.275 25 HA PRO 6 HA PRO 6 -4.545 -3.335 1.709 26 HB2 PRO 6 2HB PRO 6 -5.468 -5.829 0.981 27 HB3 PRO 6 1HB PRO 6 -6.372 -4.708 2.022 28 HG2 PRO 6 2HG PRO 6 -6.654 -5.214 -0.911 29 HG3 PRO 6 1HG PRO 6 -7.913 -5.021 0.324 30 HD2 PRO 6 2HD PRO 6 -7.266 -3.016 -1.337 31 HD3 PRO 6 1HD PRO 6 -7.711 -2.707 0.360 32 H ALA 7 H ALA 7 -4.732 -4.287 -1.730 33 HA ALA 7 HA ALA 7 -2.308 -5.865 -1.749 34 HB1 ALA 7 1HB ALA 7 -2.527 -5.195 -4.279 35 HB2 ALA 7 2HB ALA 7 -4.034 -4.435 -3.774 36 HB3 ALA 7 3HB ALA 7 -3.807 -6.170 -3.557 37 H CYS 8 H CYS 8 -3.020 -2.468 -2.625 38 HA CYS 8 HA CYS 8 -0.321 -1.739 -3.260 39 HB2 CYS 8 2HB CYS 8 -2.630 -0.571 -3.663 40 HB3 CYS 8 1HB CYS 8 -2.341 0.155 -2.083 41 H MET 9 H MET 9 -2.176 -1.654 -0.212 42 HA MET 9 HA MET 9 -0.421 -0.228 1.458 43 HB2 MET 9 2HB MET 9 -2.358 -2.507 1.755 44 HB3 MET 9 1HB MET 9 -1.394 -2.024 3.148 45 HG2 MET 9 2HG MET 9 -2.539 0.261 1.735 46 HG3 MET 9 1HG MET 9 -3.770 -0.847 2.334 47 HE1 MET 9 3HE MET 9 -4.410 0.043 5.584 48 HE2 MET 9 1HE MET 9 -3.666 -1.555 5.393 49 HE3 MET 9 2HE MET 9 -4.681 -0.894 4.113 50 H VAL 10 H VAL 10 -0.468 -3.787 0.992 51 HA VAL 10 HA VAL 10 1.979 -4.264 2.440 52 HB VAL 10 HB VAL 10 0.621 -5.910 0.278 53 HG11 VAL 10 1HG1 VAL 10 1.592 -7.774 1.815 54 HG12 VAL 10 2HG1 VAL 10 2.644 -6.504 2.440 55 HG13 VAL 10 3HG1 VAL 10 2.705 -6.940 0.730 56 HG21 VAL 10 3HG2 VAL 10 -1.061 -5.481 1.886 57 HG22 VAL 10 1HG2 VAL 10 0.083 -5.554 3.228 58 HG23 VAL 10 2HG2 VAL 10 -0.384 -7.034 2.381 59 H ASN 11 H ASN 11 1.266 -3.576 -0.966 60 HA ASN 11 HA ASN 11 3.916 -4.235 -1.969 61 HB2 ASN 11 2HB ASN 11 1.428 -2.888 -2.944 62 HB3 ASN 11 1HB ASN 11 2.915 -2.637 -3.859 63 HD21 ASN 11 1HD2 ASN 11 0.359 -4.388 -4.340 64 HD22 ASN 11 2HD2 ASN 11 1.006 -5.905 -4.734 65 H ASN 12 H ASN 12 2.440 -1.318 -0.618 66 HA ASN 12 HA ASN 12 4.954 0.202 -1.222 67 HB2 ASN 12 2HB ASN 12 2.038 0.836 -1.004 68 HB3 ASN 12 1HB ASN 12 3.173 2.087 -0.503 69 HD21 ASN 12 1HD2 ASN 12 2.495 -0.110 -3.278 70 HD22 ASN 12 2HD2 ASN 12 3.102 0.956 -4.447 71 HA PRO 13 HA PRO 13 4.982 -0.624 3.336 72 HB2 PRO 13 2HB PRO 13 7.712 -0.868 3.489 73 HB3 PRO 13 1HB PRO 13 6.629 -2.228 3.113 74 HG2 PRO 13 2HG PRO 13 8.233 -0.511 1.265 75 HG3 PRO 13 1HG PRO 13 7.984 -2.265 1.236 76 HD2 PRO 13 2HD PRO 13 6.629 -0.615 -0.407 77 HD3 PRO 13 1HD PRO 13 5.905 -2.100 0.251 78 H GLN 14 H GLN 14 7.028 1.492 1.329 79 HA GLN 14 HA GLN 14 7.721 3.289 3.498 80 HB2 GLN 14 2HB GLN 14 8.784 4.574 1.770 81 HB3 GLN 14 1HB GLN 14 8.967 2.885 1.302 82 HG2 GLN 14 2HG GLN 14 6.573 4.388 0.318 83 HG3 GLN 14 1HG GLN 14 8.133 4.687 -0.447 84 HE21 GLN 14 1HE2 GLN 14 9.204 2.836 -1.519 85 HE22 GLN 14 2HE2 GLN 14 8.313 1.457 -1.947 86 H ILE 15 H ILE 15 5.008 3.016 1.322 87 HA ILE 15 HA ILE 15 4.030 5.743 1.943 88 HB ILE 15 HB ILE 15 2.738 3.459 0.409 89 HG12 ILE 15 2HG1 ILE 15 4.970 4.037 -0.533 90 HG13 ILE 15 1HG1 ILE 15 3.662 4.506 -1.615 91 HG21 ILE 15 1HG2 ILE 15 1.156 4.967 -0.288 92 HG22 ILE 15 2HG2 ILE 15 2.279 6.322 -0.244 93 HG23 ILE 15 3HG2 ILE 15 1.555 5.733 1.249 94 HD11 ILE 15 3HD1 ILE 15 5.101 6.347 0.308 95 HD12 ILE 15 1HD1 ILE 15 3.776 6.816 -0.760 96 HD13 ILE 15 2HD1 ILE 15 5.325 6.308 -1.440 97 H CYS 16 H CYS 16 3.119 2.339 2.580 98 HA CYS 16 HA CYS 16 1.271 3.347 4.724 99 HB2 CYS 16 2HB CYS 16 1.187 0.841 3.008 100 HB3 CYS 16 1HB CYS 16 0.032 1.221 4.285 101 HN1 NH2 17 HN1 NH2 17 3.217 0.398 3.908 102 HN2 NH2 17 HN2 NH2 17 3.726 0.119 5.501 Start of MODEL 6 1 H1 GLY 1 1HT GLY 1 -6.373 5.548 -1.059 2 H2 GLY 1 2HT GLY 1 -6.980 5.429 -2.642 3 H3 GLY 1 3HT GLY 1 -6.695 6.952 -1.950 4 HA2 GLY 1 2HA GLY 1 -4.984 6.248 -3.579 5 HA3 GLY 1 1HA GLY 1 -4.357 6.633 -1.975 6 H CYS 2 H CYS 2 -2.543 5.188 -2.557 7 HA CYS 2 HA CYS 2 -2.819 2.424 -3.152 8 HB2 CYS 2 2HB CYS 2 -0.761 3.875 -3.266 9 HB3 CYS 2 1HB CYS 2 -0.662 3.772 -1.516 10 H CYS 3 H CYS 3 -2.030 3.885 -0.030 11 HA CYS 3 HA CYS 3 -2.202 1.644 1.631 12 HB2 CYS 3 2HB CYS 3 -3.132 4.475 2.205 13 HB3 CYS 3 1HB CYS 3 -2.683 3.281 3.419 14 H SER 4 H SER 4 -4.917 3.502 0.278 15 HA SER 4 HA SER 4 -6.998 2.461 1.941 16 HB2 SER 4 2HB SER 4 -7.287 3.027 -1.009 17 HB3 SER 4 1HB SER 4 -8.423 3.376 0.291 18 HG SER 4 HG SER 4 -6.564 4.792 1.079 19 H ASN 5 H ASN 5 -5.234 1.067 -0.774 20 HA ASN 5 HA ASN 5 -7.041 -1.301 -0.894 21 HB2 ASN 5 2HB ASN 5 -6.290 -0.132 -2.959 22 HB3 ASN 5 1HB ASN 5 -4.611 -0.440 -2.519 23 HD21 ASN 5 1HD2 ASN 5 -5.744 -1.431 -4.969 24 HD22 ASN 5 2HD2 ASN 5 -5.794 -3.121 -4.878 25 HA PRO 6 HA PRO 6 -4.233 -3.397 1.891 26 HB2 PRO 6 2HB PRO 6 -5.112 -5.961 1.388 27 HB3 PRO 6 1HB PRO 6 -5.956 -4.822 2.458 28 HG2 PRO 6 2HG PRO 6 -6.529 -5.501 -0.401 29 HG3 PRO 6 1HG PRO 6 -7.648 -5.276 0.954 30 HD2 PRO 6 2HD PRO 6 -7.264 -3.351 -0.866 31 HD3 PRO 6 1HD PRO 6 -7.549 -2.973 0.849 32 H ALA 7 H ALA 7 -4.771 -4.624 -1.415 33 HA ALA 7 HA ALA 7 -2.300 -6.082 -1.658 34 HB1 ALA 7 1HB ALA 7 -4.361 -6.176 -3.141 35 HB2 ALA 7 2HB ALA 7 -2.845 -6.024 -4.029 36 HB3 ALA 7 3HB ALA 7 -3.880 -4.615 -3.802 37 H CYS 8 H CYS 8 -3.210 -2.703 -2.330 38 HA CYS 8 HA CYS 8 -0.589 -1.942 -3.336 39 HB2 CYS 8 2HB CYS 8 -2.998 -0.882 -3.595 40 HB3 CYS 8 1HB CYS 8 -2.561 -0.044 -2.110 41 H MET 9 H MET 9 -2.241 -1.825 -0.193 42 HA MET 9 HA MET 9 -0.464 -0.265 1.333 43 HB2 MET 9 2HB MET 9 -2.635 -2.044 1.717 44 HB3 MET 9 1HB MET 9 -1.350 -2.613 2.779 45 HG2 MET 9 2HG MET 9 -1.368 0.206 3.010 46 HG3 MET 9 1HG MET 9 -3.053 -0.306 3.085 47 HE1 MET 9 3HE MET 9 0.294 -0.080 5.312 48 HE2 MET 9 1HE MET 9 0.425 -1.198 3.953 49 HE3 MET 9 2HE MET 9 0.438 -1.809 5.607 50 H VAL 10 H VAL 10 -0.379 -3.837 1.038 51 HA VAL 10 HA VAL 10 2.175 -4.147 2.308 52 HB VAL 10 HB VAL 10 0.470 -5.925 2.047 53 HG11 VAL 10 1HG1 VAL 10 1.266 -6.102 -0.862 54 HG12 VAL 10 2HG1 VAL 10 -0.142 -5.184 -0.332 55 HG13 VAL 10 3HG1 VAL 10 -0.065 -6.919 -0.042 56 HG21 VAL 10 3HG2 VAL 10 2.106 -7.680 0.971 57 HG22 VAL 10 1HG2 VAL 10 2.558 -6.876 2.475 58 HG23 VAL 10 2HG2 VAL 10 3.239 -6.328 0.943 59 H ASN 11 H ASN 11 1.263 -3.439 -1.031 60 HA ASN 11 HA ASN 11 3.893 -4.022 -2.157 61 HB2 ASN 11 2HB ASN 11 1.262 -2.966 -3.029 62 HB3 ASN 11 1HB ASN 11 2.646 -2.394 -3.957 63 HD21 ASN 11 1HD2 ASN 11 4.329 -4.559 -4.147 64 HD22 ASN 11 2HD2 ASN 11 3.536 -5.892 -4.837 65 H ASN 12 H ASN 12 2.388 -1.238 -0.632 66 HA ASN 12 HA ASN 12 4.843 0.363 -1.250 67 HB2 ASN 12 2HB ASN 12 1.918 0.935 -1.341 68 HB3 ASN 12 1HB ASN 12 2.976 2.238 -0.805 69 HD21 ASN 12 1HD2 ASN 12 2.076 0.254 -3.588 70 HD22 ASN 12 2HD2 ASN 12 3.001 1.110 -4.722 71 HA PRO 13 HA PRO 13 4.085 -0.278 3.369 72 HB2 PRO 13 2HB PRO 13 6.605 -1.221 3.911 73 HB3 PRO 13 1HB PRO 13 5.235 -2.274 3.495 74 HG2 PRO 13 2HG PRO 13 7.445 -1.254 1.753 75 HG3 PRO 13 1HG PRO 13 6.734 -2.877 1.837 76 HD2 PRO 13 2HD PRO 13 6.077 -1.146 -0.109 77 HD3 PRO 13 1HD PRO 13 4.892 -2.277 0.579 78 H GLN 14 H GLN 14 6.712 1.099 1.439 79 HA GLN 14 HA GLN 14 8.014 2.665 3.436 80 HB2 GLN 14 2HB GLN 14 7.533 3.601 0.603 81 HB3 GLN 14 1HB GLN 14 8.960 3.858 1.600 82 HG2 GLN 14 2HG GLN 14 9.862 2.089 0.509 83 HG3 GLN 14 1HG GLN 14 8.768 1.085 1.458 84 HE21 GLN 14 1HE2 GLN 14 8.955 2.855 -1.673 85 HE22 GLN 14 2HE2 GLN 14 7.816 1.868 -2.457 86 H ILE 15 H ILE 15 5.172 3.303 1.479 87 HA ILE 15 HA ILE 15 4.757 5.934 2.803 88 HB ILE 15 HB ILE 15 3.222 4.576 0.558 89 HG12 ILE 15 2HG1 ILE 15 5.122 6.769 -0.052 90 HG13 ILE 15 1HG1 ILE 15 5.868 5.239 0.407 91 HG21 ILE 15 1HG2 ILE 15 2.311 6.718 0.096 92 HG22 ILE 15 2HG2 ILE 15 3.501 7.537 1.108 93 HG23 ILE 15 3HG2 ILE 15 2.221 6.573 1.850 94 HD11 ILE 15 3HD1 ILE 15 5.238 4.237 -1.516 95 HD12 ILE 15 1HD1 ILE 15 4.952 5.872 -2.110 96 HD13 ILE 15 2HD1 ILE 15 3.619 4.932 -1.446 97 H CYS 16 H CYS 16 3.136 2.762 2.367 98 HA CYS 16 HA CYS 16 0.845 3.597 4.026 99 HB2 CYS 16 2HB CYS 16 1.718 1.028 2.692 100 HB3 CYS 16 1HB CYS 16 0.205 1.189 3.581 101 HN1 NH2 17 HN1 NH2 17 3.974 2.313 4.720 102 HN2 NH2 17 HN2 NH2 17 3.630 1.720 6.271 Start of MODEL 7 1 H1 GLY 1 1HT GLY 1 -8.136 5.566 -2.380 2 H2 GLY 1 2HT GLY 1 -7.408 5.106 -0.913 3 H3 GLY 1 3HT GLY 1 -7.556 3.989 -2.185 4 HA2 GLY 1 2HA GLY 1 -6.154 5.682 -3.513 5 HA3 GLY 1 1HA GLY 1 -5.702 6.248 -1.906 6 H CYS 2 H CYS 2 -3.535 5.332 -2.955 7 HA CYS 2 HA CYS 2 -3.097 2.550 -3.206 8 HB2 CYS 2 2HB CYS 2 -1.626 4.796 -3.527 9 HB3 CYS 2 1HB CYS 2 -0.937 4.196 -2.017 10 H CYS 3 H CYS 3 -2.685 4.600 -0.333 11 HA CYS 3 HA CYS 3 -1.885 2.484 1.423 12 HB2 CYS 3 2HB CYS 3 -2.181 5.241 1.522 13 HB3 CYS 3 1HB CYS 3 -3.427 4.671 2.637 14 H SER 4 H SER 4 -5.065 3.758 0.490 15 HA SER 4 HA SER 4 -6.556 2.147 2.392 16 HB2 SER 4 2HB SER 4 -7.986 2.906 -0.038 17 HB3 SER 4 1HB SER 4 -8.238 3.457 1.615 18 HG SER 4 HG SER 4 -6.727 5.038 1.324 19 H ASN 5 H ASN 5 -5.041 1.517 -0.664 20 HA ASN 5 HA ASN 5 -6.692 -0.777 -1.428 21 HB2 ASN 5 2HB ASN 5 -5.385 0.773 -2.969 22 HB3 ASN 5 1HB ASN 5 -3.906 0.057 -2.322 23 HD21 ASN 5 1HD2 ASN 5 -4.660 -0.142 -5.108 24 HD22 ASN 5 2HD2 ASN 5 -4.956 -1.778 -5.444 25 HA PRO 6 HA PRO 6 -4.565 -3.448 1.470 26 HB2 PRO 6 2HB PRO 6 -5.512 -5.817 0.444 27 HB3 PRO 6 1HB PRO 6 -6.443 -4.780 1.550 28 HG2 PRO 6 2HG PRO 6 -6.570 -4.972 -1.434 29 HG3 PRO 6 1HG PRO 6 -7.893 -4.867 -0.260 30 HD2 PRO 6 2HD PRO 6 -7.111 -2.720 -1.652 31 HD3 PRO 6 1HD PRO 6 -7.625 -2.578 0.046 32 H ALA 7 H ALA 7 -4.591 -3.973 -2.047 33 HA ALA 7 HA ALA 7 -2.278 -5.686 -2.175 34 HB1 ALA 7 1HB ALA 7 -2.285 -4.834 -4.576 35 HB2 ALA 7 2HB ALA 7 -3.597 -3.753 -4.109 36 HB3 ALA 7 3HB ALA 7 -3.825 -5.500 -4.030 37 H CYS 8 H CYS 8 -2.660 -2.151 -2.694 38 HA CYS 8 HA CYS 8 0.148 -1.625 -2.963 39 HB2 CYS 8 2HB CYS 8 -1.574 -0.098 -3.775 40 HB3 CYS 8 1HB CYS 8 -2.182 0.117 -2.135 41 H MET 9 H MET 9 -2.058 -1.629 -0.161 42 HA MET 9 HA MET 9 -0.537 -0.447 1.851 43 HB2 MET 9 2HB MET 9 -2.657 -2.427 1.578 44 HB3 MET 9 1HB MET 9 -1.633 -2.785 2.969 45 HG2 MET 9 2HG MET 9 -2.282 0.068 2.733 46 HG3 MET 9 1HG MET 9 -3.708 -0.954 2.942 47 HE1 MET 9 3HE MET 9 -4.256 0.188 4.953 48 HE2 MET 9 1HE MET 9 -2.829 1.186 5.245 49 HE3 MET 9 2HE MET 9 -3.438 0.124 6.507 50 H VAL 10 H VAL 10 -0.372 -3.892 0.893 51 HA VAL 10 HA VAL 10 1.990 -4.359 2.566 52 HB VAL 10 HB VAL 10 0.705 -6.105 0.436 53 HG11 VAL 10 1HG1 VAL 10 2.955 -6.774 1.375 54 HG12 VAL 10 2HG1 VAL 10 1.666 -7.943 1.668 55 HG13 VAL 10 3HG1 VAL 10 2.196 -6.865 2.960 56 HG21 VAL 10 3HG2 VAL 10 -0.432 -7.080 2.563 57 HG22 VAL 10 1HG2 VAL 10 -1.086 -5.593 1.880 58 HG23 VAL 10 2HG2 VAL 10 -0.042 -5.527 3.300 59 H ASN 11 H ASN 11 1.318 -3.929 -0.916 60 HA ASN 11 HA ASN 11 3.993 -4.593 -1.810 61 HB2 ASN 11 2HB ASN 11 1.550 -3.260 -2.945 62 HB3 ASN 11 1HB ASN 11 3.069 -3.158 -3.835 63 HD21 ASN 11 1HD2 ASN 11 0.491 -5.348 -2.853 64 HD22 ASN 11 2HD2 ASN 11 1.073 -6.694 -3.709 65 H ASN 12 H ASN 12 2.478 -1.586 -0.692 66 HA ASN 12 HA ASN 12 5.092 -0.192 -1.179 67 HB2 ASN 12 2HB ASN 12 2.258 0.474 -1.694 68 HB3 ASN 12 1HB ASN 12 3.221 1.789 -1.018 69 HD21 ASN 12 1HD2 ASN 12 3.112 -0.536 -3.730 70 HD22 ASN 12 2HD2 ASN 12 4.094 0.381 -4.767 71 HA PRO 13 HA PRO 13 4.158 -0.293 3.404 72 HB2 PRO 13 2HB PRO 13 6.720 -0.977 4.125 73 HB3 PRO 13 1HB PRO 13 5.462 -2.177 3.776 74 HG2 PRO 13 2HG PRO 13 7.642 -1.171 2.002 75 HG3 PRO 13 1HG PRO 13 7.063 -2.831 2.247 76 HD2 PRO 13 2HD PRO 13 6.329 -1.391 0.100 77 HD3 PRO 13 1HD PRO 13 5.215 -2.525 0.894 78 H GLN 14 H GLN 14 6.706 1.019 1.364 79 HA GLN 14 HA GLN 14 7.908 2.941 3.049 80 HB2 GLN 14 2HB GLN 14 7.106 3.323 0.142 81 HB3 GLN 14 1HB GLN 14 8.461 4.084 0.975 82 HG2 GLN 14 2HG GLN 14 9.756 2.371 0.302 83 HG3 GLN 14 1HG GLN 14 8.811 1.313 1.347 84 HE21 GLN 14 1HE2 GLN 14 8.531 2.827 -1.927 85 HE22 GLN 14 2HE2 GLN 14 7.820 1.464 -2.647 86 H ILE 15 H ILE 15 4.906 3.088 1.222 87 HA ILE 15 HA ILE 15 4.260 5.823 2.099 88 HB ILE 15 HB ILE 15 2.671 3.687 0.614 89 HG12 ILE 15 2HG1 ILE 15 4.708 4.326 -0.592 90 HG13 ILE 15 1HG1 ILE 15 3.302 5.011 -1.406 91 HG21 ILE 15 1HG2 ILE 15 1.008 5.151 1.208 92 HG22 ILE 15 2HG2 ILE 15 1.605 5.990 -0.225 93 HG23 ILE 15 3HG2 ILE 15 2.117 6.506 1.381 94 HD11 ILE 15 3HD1 ILE 15 5.551 6.380 -0.119 95 HD12 ILE 15 1HD1 ILE 15 3.990 6.970 0.457 96 HD13 ILE 15 2HD1 ILE 15 4.366 7.009 -1.264 97 H CYS 16 H CYS 16 2.992 2.520 2.695 98 HA CYS 16 HA CYS 16 1.457 3.603 5.034 99 HB2 CYS 16 2HB CYS 16 1.193 0.932 3.616 100 HB3 CYS 16 1HB CYS 16 0.026 1.684 4.706 101 HN1 NH2 17 HN1 NH2 17 3.292 3.529 6.568 102 HN2 NH2 17 HN2 NH2 17 3.950 2.049 7.077 Start of MODEL 8 1 H1 GLY 1 1HT GLY 1 -6.733 5.129 -3.125 2 H2 GLY 1 2HT GLY 1 -6.634 6.715 -2.530 3 H3 GLY 1 3HT GLY 1 -6.487 5.397 -1.468 4 HA2 GLY 1 2HA GLY 1 -4.592 5.988 -3.675 5 HA3 GLY 1 1HA GLY 1 -4.335 6.462 -1.995 6 H CYS 2 H CYS 2 -2.371 4.931 -2.632 7 HA CYS 2 HA CYS 2 -2.656 2.134 -2.850 8 HB2 CYS 2 2HB CYS 2 -0.609 3.787 -2.882 9 HB3 CYS 2 1HB CYS 2 -0.501 3.371 -1.176 10 H CYS 3 H CYS 3 -2.320 4.082 0.075 11 HA CYS 3 HA CYS 3 -2.452 2.003 1.996 12 HB2 CYS 3 2HB CYS 3 -3.295 4.908 2.001 13 HB3 CYS 3 1HB CYS 3 -3.325 3.912 3.461 14 H SER 4 H SER 4 -5.023 3.480 0.096 15 HA SER 4 HA SER 4 -7.238 2.593 1.742 16 HB2 SER 4 2HB SER 4 -7.383 3.016 -1.230 17 HB3 SER 4 1HB SER 4 -8.526 3.509 0.010 18 HG SER 4 HG SER 4 -7.116 5.134 0.637 19 H ASN 5 H ASN 5 -5.169 0.985 -0.576 20 HA ASN 5 HA ASN 5 -7.087 -1.315 -0.735 21 HB2 ASN 5 2HB ASN 5 -6.389 -0.140 -2.842 22 HB3 ASN 5 1HB ASN 5 -4.717 -0.570 -2.490 23 HD21 ASN 5 1HD2 ASN 5 -6.071 -1.494 -4.859 24 HD22 ASN 5 2HD2 ASN 5 -6.244 -3.176 -4.746 25 HA PRO 6 HA PRO 6 -4.125 -3.334 1.938 26 HB2 PRO 6 2HB PRO 6 -5.103 -5.896 1.610 27 HB3 PRO 6 1HB PRO 6 -5.845 -4.700 2.696 28 HG2 PRO 6 2HG PRO 6 -6.611 -5.455 -0.100 29 HG3 PRO 6 1HG PRO 6 -7.648 -5.182 1.313 30 HD2 PRO 6 2HD PRO 6 -7.357 -3.312 -0.578 31 HD3 PRO 6 1HD PRO 6 -7.504 -2.867 1.140 32 H ALA 7 H ALA 7 -4.896 -4.448 -1.355 33 HA ALA 7 HA ALA 7 -2.528 -6.085 -1.707 34 HB1 ALA 7 1HB ALA 7 -3.186 -5.399 -4.208 35 HB2 ALA 7 2HB ALA 7 -4.649 -4.825 -3.413 36 HB3 ALA 7 3HB ALA 7 -4.185 -6.521 -3.287 37 H CYS 8 H CYS 8 -3.306 -2.662 -2.222 38 HA CYS 8 HA CYS 8 -0.736 -2.028 -3.466 39 HB2 CYS 8 2HB CYS 8 -3.070 -0.869 -3.669 40 HB3 CYS 8 1HB CYS 8 -2.629 -0.074 -2.158 41 H MET 9 H MET 9 -2.215 -1.713 -0.234 42 HA MET 9 HA MET 9 -0.287 -0.224 1.140 43 HB2 MET 9 2HB MET 9 -2.125 -2.511 1.821 44 HB3 MET 9 1HB MET 9 -1.070 -1.836 3.054 45 HG2 MET 9 2HG MET 9 -2.510 0.193 1.491 46 HG3 MET 9 1HG MET 9 -3.565 -0.864 2.427 47 HE1 MET 9 3HE MET 9 -2.885 -1.473 5.098 48 HE2 MET 9 1HE MET 9 -4.237 -0.461 4.559 49 HE3 MET 9 2HE MET 9 -3.247 0.038 5.926 50 H VAL 10 H VAL 10 -0.377 -3.811 0.958 51 HA VAL 10 HA VAL 10 2.129 -4.278 2.212 52 HB VAL 10 HB VAL 10 0.299 -5.921 1.752 53 HG11 VAL 10 1HG1 VAL 10 -0.094 -5.167 -0.612 54 HG12 VAL 10 2HG1 VAL 10 0.075 -6.917 -0.447 55 HG13 VAL 10 3HG1 VAL 10 1.422 -5.955 -1.065 56 HG21 VAL 10 3HG2 VAL 10 2.817 -6.487 2.160 57 HG22 VAL 10 1HG2 VAL 10 2.818 -6.938 0.450 58 HG23 VAL 10 2HG2 VAL 10 1.743 -7.766 1.583 59 H ASN 11 H ASN 11 1.362 -3.471 -1.138 60 HA ASN 11 HA ASN 11 4.012 -4.057 -2.194 61 HB2 ASN 11 2HB ASN 11 1.443 -2.841 -3.095 62 HB3 ASN 11 1HB ASN 11 2.887 -2.390 -4.001 63 HD21 ASN 11 1HD2 ASN 11 0.466 -4.751 -3.843 64 HD22 ASN 11 2HD2 ASN 11 1.280 -5.985 -4.678 65 H ASN 12 H ASN 12 2.432 -1.206 -0.792 66 HA ASN 12 HA ASN 12 4.952 0.359 -1.274 67 HB2 ASN 12 2HB ASN 12 2.040 0.951 -1.440 68 HB3 ASN 12 1HB ASN 12 3.061 2.229 -0.795 69 HD21 ASN 12 1HD2 ASN 12 2.515 0.207 -3.671 70 HD22 ASN 12 2HD2 ASN 12 3.427 1.173 -4.724 71 HA PRO 13 HA PRO 13 4.266 -0.285 3.327 72 HB2 PRO 13 2HB PRO 13 6.825 -1.151 3.829 73 HB3 PRO 13 1HB PRO 13 5.488 -2.247 3.422 74 HG2 PRO 13 2HG PRO 13 7.648 -1.159 1.667 75 HG3 PRO 13 1HG PRO 13 6.969 -2.794 1.734 76 HD2 PRO 13 2HD PRO 13 6.271 -1.033 -0.172 77 HD3 PRO 13 1HD PRO 13 5.131 -2.230 0.477 78 H GLN 14 H GLN 14 6.813 1.154 1.351 79 HA GLN 14 HA GLN 14 8.101 2.757 3.310 80 HB2 GLN 14 2HB GLN 14 8.873 4.040 1.359 81 HB3 GLN 14 1HB GLN 14 8.890 2.320 0.990 82 HG2 GLN 14 2HG GLN 14 6.315 3.561 0.358 83 HG3 GLN 14 1HG GLN 14 7.650 4.294 -0.524 84 HE21 GLN 14 1HE2 GLN 14 7.974 3.288 -2.486 85 HE22 GLN 14 2HE2 GLN 14 7.743 1.636 -2.794 86 H ILE 15 H ILE 15 4.964 3.138 1.863 87 HA ILE 15 HA ILE 15 4.760 5.893 3.027 88 HB ILE 15 HB ILE 15 3.280 4.568 0.726 89 HG12 ILE 15 2HG1 ILE 15 5.151 6.939 0.593 90 HG13 ILE 15 1HG1 ILE 15 5.759 5.290 0.451 91 HG21 ILE 15 1HG2 ILE 15 1.764 6.150 1.619 92 HG22 ILE 15 2HG2 ILE 15 2.606 7.048 0.353 93 HG23 ILE 15 3HG2 ILE 15 3.058 7.273 2.043 94 HD11 ILE 15 3HD1 ILE 15 3.662 6.593 -1.299 95 HD12 ILE 15 1HD1 ILE 15 4.156 4.906 -1.425 96 HD13 ILE 15 2HD1 ILE 15 5.314 6.192 -1.773 97 H CYS 16 H CYS 16 2.890 2.890 2.417 98 HA CYS 16 HA CYS 16 0.788 3.689 4.311 99 HB2 CYS 16 2HB CYS 16 1.405 1.199 2.702 100 HB3 CYS 16 1HB CYS 16 -0.024 1.365 3.722 101 HN1 NH2 17 HN1 NH2 17 3.874 2.120 4.641 102 HN2 NH2 17 HN2 NH2 17 3.599 1.438 6.170 Start of MODEL 9 1 H1 GLY 1 1HT GLY 1 -7.993 4.879 -3.227 2 H2 GLY 1 2HT GLY 1 -8.335 6.442 -2.656 3 H3 GLY 1 3HT GLY 1 -7.988 5.196 -1.561 4 HA2 GLY 1 2HA GLY 1 -6.112 6.420 -3.503 5 HA3 GLY 1 1HA GLY 1 -6.063 6.583 -1.748 6 H CYS 2 H CYS 2 -3.895 5.510 -3.283 7 HA CYS 2 HA CYS 2 -3.800 2.691 -3.469 8 HB2 CYS 2 2HB CYS 2 -2.123 4.658 -4.072 9 HB3 CYS 2 1HB CYS 2 -1.429 4.242 -2.506 10 H CYS 3 H CYS 3 -2.876 4.745 -0.733 11 HA CYS 3 HA CYS 3 -2.095 2.727 1.096 12 HB2 CYS 3 2HB CYS 3 -3.364 5.454 1.374 13 HB3 CYS 3 1HB CYS 3 -2.919 4.506 2.793 14 H SER 4 H SER 4 -5.325 3.738 0.095 15 HA SER 4 HA SER 4 -6.767 2.428 2.243 16 HB2 SER 4 2HB SER 4 -7.826 2.921 -0.535 17 HB3 SER 4 1HB SER 4 -8.661 3.094 1.006 18 HG SER 4 HG SER 4 -8.178 5.137 0.641 19 H ASN 5 H ASN 5 -5.211 1.304 -0.660 20 HA ASN 5 HA ASN 5 -6.799 -1.190 -0.812 21 HB2 ASN 5 2HB ASN 5 -5.994 0.142 -2.805 22 HB3 ASN 5 1HB ASN 5 -4.344 -0.264 -2.349 23 HD21 ASN 5 1HD2 ASN 5 -5.519 -1.095 -4.858 24 HD22 ASN 5 2HD2 ASN 5 -5.633 -2.788 -4.839 25 HA PRO 6 HA PRO 6 -3.924 -3.126 2.006 26 HB2 PRO 6 2HB PRO 6 -4.774 -5.711 1.574 27 HB3 PRO 6 1HB PRO 6 -5.622 -4.564 2.632 28 HG2 PRO 6 2HG PRO 6 -6.207 -5.307 -0.204 29 HG3 PRO 6 1HG PRO 6 -7.328 -5.089 1.155 30 HD2 PRO 6 2HD PRO 6 -6.995 -3.180 -0.703 31 HD3 PRO 6 1HD PRO 6 -7.265 -2.777 1.009 32 H ALA 7 H ALA 7 -4.498 -4.341 -1.308 33 HA ALA 7 HA ALA 7 -2.064 -5.819 -1.629 34 HB1 ALA 7 1HB ALA 7 -3.834 -6.065 -3.225 35 HB2 ALA 7 2HB ALA 7 -2.552 -5.224 -4.102 36 HB3 ALA 7 3HB ALA 7 -3.941 -4.326 -3.484 37 H CYS 8 H CYS 8 -2.885 -2.394 -2.236 38 HA CYS 8 HA CYS 8 -0.275 -1.622 -3.188 39 HB2 CYS 8 2HB CYS 8 -2.183 -0.235 -3.652 40 HB3 CYS 8 1HB CYS 8 -2.597 -0.134 -1.941 41 H MET 9 H MET 9 -1.864 -1.483 0.025 42 HA MET 9 HA MET 9 0.164 -0.259 1.532 43 HB2 MET 9 2HB MET 9 -1.902 -2.393 2.048 44 HB3 MET 9 1HB MET 9 -0.824 -1.869 3.334 45 HG2 MET 9 2HG MET 9 -1.543 0.510 2.833 46 HG3 MET 9 1HG MET 9 -2.775 -0.169 1.768 47 HE1 MET 9 3HE MET 9 -2.684 0.242 6.222 48 HE2 MET 9 1HE MET 9 -2.749 1.514 4.991 49 HE3 MET 9 2HE MET 9 -1.358 0.438 5.082 50 H VAL 10 H VAL 10 -0.232 -3.777 0.896 51 HA VAL 10 HA VAL 10 2.222 -4.542 2.212 52 HB VAL 10 HB VAL 10 0.678 -5.921 -0.011 53 HG11 VAL 10 1HG1 VAL 10 2.239 -7.187 2.239 54 HG12 VAL 10 2HG1 VAL 10 2.996 -6.791 0.696 55 HG13 VAL 10 3HG1 VAL 10 1.661 -7.943 0.757 56 HG21 VAL 10 3HG2 VAL 10 -0.032 -7.067 2.410 57 HG22 VAL 10 1HG2 VAL 10 -1.020 -5.956 1.469 58 HG23 VAL 10 2HG2 VAL 10 0.001 -5.340 2.771 59 H ASN 11 H ASN 11 1.428 -3.656 -1.152 60 HA ASN 11 HA ASN 11 4.022 -4.358 -2.255 61 HB2 ASN 11 2HB ASN 11 1.559 -2.875 -3.086 62 HB3 ASN 11 1HB ASN 11 3.033 -2.572 -4.005 63 HD21 ASN 11 1HD2 ASN 11 0.754 -5.137 -3.042 64 HD22 ASN 11 2HD2 ASN 11 1.239 -6.234 -4.244 65 H ASN 12 H ASN 12 2.679 -1.469 -0.705 66 HA ASN 12 HA ASN 12 5.354 -0.154 -1.019 67 HB2 ASN 12 2HB ASN 12 2.581 0.711 -1.627 68 HB3 ASN 12 1HB ASN 12 3.618 1.924 -0.882 69 HD21 ASN 12 1HD2 ASN 12 3.397 -0.283 -3.683 70 HD22 ASN 12 2HD2 ASN 12 4.484 0.577 -4.658 71 HA PRO 13 HA PRO 13 4.037 -0.458 3.474 72 HB2 PRO 13 2HB PRO 13 6.463 -1.403 4.363 73 HB3 PRO 13 1HB PRO 13 5.137 -2.464 3.839 74 HG2 PRO 13 2HG PRO 13 7.550 -1.561 2.321 75 HG3 PRO 13 1HG PRO 13 6.809 -3.170 2.406 76 HD2 PRO 13 2HD PRO 13 6.411 -1.546 0.308 77 HD3 PRO 13 1HD PRO 13 5.135 -2.630 0.906 78 H GLN 14 H GLN 14 6.916 0.671 1.786 79 HA GLN 14 HA GLN 14 8.054 2.410 3.678 80 HB2 GLN 14 2HB GLN 14 8.705 3.710 1.522 81 HB3 GLN 14 1HB GLN 14 9.229 2.036 1.657 82 HG2 GLN 14 2HG GLN 14 7.818 1.314 -0.002 83 HG3 GLN 14 1HG GLN 14 6.560 2.476 0.421 84 HE21 GLN 14 1HE2 GLN 14 6.730 2.609 -2.152 85 HE22 GLN 14 2HE2 GLN 14 7.784 3.804 -2.743 86 H ILE 15 H ILE 15 5.151 2.818 1.758 87 HA ILE 15 HA ILE 15 4.846 5.618 2.744 88 HB ILE 15 HB ILE 15 3.263 4.096 0.639 89 HG12 ILE 15 2HG1 ILE 15 5.684 4.221 0.063 90 HG13 ILE 15 1HG1 ILE 15 4.693 5.198 -1.015 91 HG21 ILE 15 1HG2 ILE 15 1.996 5.995 1.147 92 HG22 ILE 15 2HG2 ILE 15 3.049 6.613 -0.126 93 HG23 ILE 15 3HG2 ILE 15 3.420 6.950 1.563 94 HD11 ILE 15 3HD1 ILE 15 6.496 6.117 1.218 95 HD12 ILE 15 1HD1 ILE 15 5.194 7.150 0.622 96 HD13 ILE 15 2HD1 ILE 15 6.478 6.628 -0.468 97 H CYS 16 H CYS 16 3.020 2.540 2.456 98 HA CYS 16 HA CYS 16 1.527 3.262 4.940 99 HB2 CYS 16 2HB CYS 16 0.448 2.751 2.168 100 HB3 CYS 16 1HB CYS 16 -0.545 2.413 3.589 101 HN1 NH2 17 HN1 NH2 17 3.350 1.398 5.328 102 HN2 NH2 17 HN2 NH2 17 2.757 -0.187 5.201 Start of MODEL 10 1 H1 GLY 1 1HT GLY 1 -7.631 6.298 -1.705 2 H2 GLY 1 2HT GLY 1 -6.768 7.253 -0.604 3 H3 GLY 1 3HT GLY 1 -6.651 5.566 -0.524 4 HA2 GLY 1 2HA GLY 1 -5.898 6.882 -3.036 5 HA3 GLY 1 1HA GLY 1 -4.789 7.001 -1.667 6 H CYS 2 H CYS 2 -3.211 5.573 -2.497 7 HA CYS 2 HA CYS 2 -3.942 2.927 -3.476 8 HB2 CYS 2 2HB CYS 2 -1.850 4.553 -3.872 9 HB3 CYS 2 1HB CYS 2 -1.179 3.576 -2.567 10 H CYS 3 H CYS 3 -2.511 4.217 -0.521 11 HA CYS 3 HA CYS 3 -1.946 1.847 0.879 12 HB2 CYS 3 2HB CYS 3 -2.884 4.594 1.697 13 HB3 CYS 3 1HB CYS 3 -2.559 3.354 2.908 14 H SER 4 H SER 4 -5.115 3.446 0.451 15 HA SER 4 HA SER 4 -6.627 1.953 2.332 16 HB2 SER 4 2HB SER 4 -8.176 2.337 -0.020 17 HB3 SER 4 1HB SER 4 -8.142 3.351 1.414 18 HG SER 4 HG SER 4 -6.870 3.657 -1.049 19 H ASN 5 H ASN 5 -5.361 1.045 -0.837 20 HA ASN 5 HA ASN 5 -6.914 -1.435 -1.069 21 HB2 ASN 5 2HB ASN 5 -5.977 -0.031 -2.962 22 HB3 ASN 5 1HB ASN 5 -4.362 -0.552 -2.470 23 HD21 ASN 5 1HD2 ASN 5 -5.334 -1.210 -5.050 24 HD22 ASN 5 2HD2 ASN 5 -5.609 -2.883 -5.129 25 HA PRO 6 HA PRO 6 -4.223 -3.592 1.769 26 HB2 PRO 6 2HB PRO 6 -5.047 -6.143 1.102 27 HB3 PRO 6 1HB PRO 6 -5.936 -5.079 2.215 28 HG2 PRO 6 2HG PRO 6 -6.393 -5.585 -0.696 29 HG3 PRO 6 1HG PRO 6 -7.567 -5.473 0.626 30 HD2 PRO 6 2HD PRO 6 -7.183 -3.416 -1.045 31 HD3 PRO 6 1HD PRO 6 -7.481 -3.141 0.691 32 H ALA 7 H ALA 7 -4.565 -4.402 -1.661 33 HA ALA 7 HA ALA 7 -2.141 -5.931 -1.940 34 HB1 ALA 7 1HB ALA 7 -3.914 -4.297 -3.778 35 HB2 ALA 7 2HB ALA 7 -3.784 -6.052 -3.668 36 HB3 ALA 7 3HB ALA 7 -2.473 -5.116 -4.386 37 H CYS 8 H CYS 8 -2.866 -2.473 -2.616 38 HA CYS 8 HA CYS 8 -0.152 -1.736 -3.169 39 HB2 CYS 8 2HB CYS 8 -2.396 -0.522 -3.619 40 HB3 CYS 8 1HB CYS 8 -2.208 0.113 -1.984 41 H MET 9 H MET 9 -2.093 -1.674 -0.160 42 HA MET 9 HA MET 9 -0.314 -0.350 1.585 43 HB2 MET 9 2HB MET 9 -2.690 -1.709 1.751 44 HB3 MET 9 1HB MET 9 -1.615 -2.795 2.626 45 HG2 MET 9 2HG MET 9 -0.887 -0.305 3.584 46 HG3 MET 9 1HG MET 9 -2.635 -0.153 3.392 47 HE1 MET 9 3HE MET 9 -0.421 -3.359 5.852 48 HE2 MET 9 1HE MET 9 0.326 -1.933 5.128 49 HE3 MET 9 2HE MET 9 -0.322 -3.208 4.104 50 H VAL 10 H VAL 10 -0.394 -3.804 0.716 51 HA VAL 10 HA VAL 10 1.976 -4.458 2.297 52 HB VAL 10 HB VAL 10 0.462 -5.970 0.135 53 HG11 VAL 10 1HG1 VAL 10 2.402 -6.911 2.271 54 HG12 VAL 10 2HG1 VAL 10 2.690 -6.909 0.534 55 HG13 VAL 10 3HG1 VAL 10 1.467 -7.971 1.223 56 HG21 VAL 10 3HG2 VAL 10 -0.953 -5.323 2.069 57 HG22 VAL 10 1HG2 VAL 10 0.227 -6.041 3.167 58 HG23 VAL 10 2HG2 VAL 10 -0.671 -7.062 2.044 59 H ASN 11 H ASN 11 1.306 -3.640 -1.083 60 HA ASN 11 HA ASN 11 3.939 -4.399 -2.086 61 HB2 ASN 11 2HB ASN 11 1.523 -2.898 -3.040 62 HB3 ASN 11 1HB ASN 11 3.023 -2.720 -3.948 63 HD21 ASN 11 1HD2 ASN 11 0.828 -5.268 -2.646 64 HD22 ASN 11 2HD2 ASN 11 1.183 -6.399 -3.863 65 H ASN 12 H ASN 12 2.497 -1.404 -0.806 66 HA ASN 12 HA ASN 12 5.211 -0.133 -1.001 67 HB2 ASN 12 2HB ASN 12 2.472 0.748 -1.764 68 HB3 ASN 12 1HB ASN 12 3.526 1.967 -1.053 69 HD21 ASN 12 1HD2 ASN 12 3.089 -0.143 -3.850 70 HD22 ASN 12 2HD2 ASN 12 4.337 0.533 -4.780 71 HA PRO 13 HA PRO 13 3.582 -0.222 3.406 72 HB2 PRO 13 2HB PRO 13 5.839 -1.334 4.512 73 HB3 PRO 13 1HB PRO 13 4.475 -2.301 3.912 74 HG2 PRO 13 2HG PRO 13 7.075 -1.668 2.577 75 HG3 PRO 13 1HG PRO 13 6.173 -3.193 2.635 76 HD2 PRO 13 2HD PRO 13 6.110 -1.578 0.474 77 HD3 PRO 13 1HD PRO 13 4.711 -2.556 0.966 78 H GLN 14 H GLN 14 6.722 0.563 1.977 79 HA GLN 14 HA GLN 14 7.772 2.323 3.928 80 HB2 GLN 14 2HB GLN 14 7.901 2.603 0.913 81 HB3 GLN 14 1HB GLN 14 9.077 3.212 2.076 82 HG2 GLN 14 2HG GLN 14 10.189 1.265 1.834 83 HG3 GLN 14 1HG GLN 14 8.849 0.478 2.668 84 HE21 GLN 14 1HE2 GLN 14 9.451 1.760 -0.675 85 HE22 GLN 14 2HE2 GLN 14 8.793 0.403 -1.454 86 H ILE 15 H ILE 15 5.435 2.930 1.366 87 HA ILE 15 HA ILE 15 5.221 5.798 1.960 88 HB ILE 15 HB ILE 15 3.540 3.938 0.238 89 HG12 ILE 15 2HG1 ILE 15 5.979 5.631 -0.404 90 HG13 ILE 15 1HG1 ILE 15 5.879 3.873 -0.467 91 HG21 ILE 15 1HG2 ILE 15 2.401 5.769 -0.472 92 HG22 ILE 15 2HG2 ILE 15 3.870 6.746 -0.547 93 HG23 ILE 15 3HG2 ILE 15 3.019 6.552 0.986 94 HD11 ILE 15 3HD1 ILE 15 4.183 4.023 -2.257 95 HD12 ILE 15 1HD1 ILE 15 5.672 4.852 -2.724 96 HD13 ILE 15 2HD1 ILE 15 4.274 5.786 -2.186 97 H CYS 16 H CYS 16 3.123 2.912 2.368 98 HA CYS 16 HA CYS 16 0.966 4.325 3.665 99 HB2 CYS 16 2HB CYS 16 1.833 1.420 3.601 100 HB3 CYS 16 1HB CYS 16 0.305 1.966 4.293 101 HN1 NH2 17 HN1 NH2 17 3.868 2.638 4.973 102 HN2 NH2 17 HN2 NH2 17 3.613 3.132 6.578 Start of MODEL 11 1 H1 GLY 1 1HT GLY 1 -6.933 7.216 -0.400 2 H2 GLY 1 2HT GLY 1 -6.793 5.524 -0.388 3 H3 GLY 1 3HT GLY 1 -7.440 6.320 -1.741 4 HA2 GLY 1 2HA GLY 1 -5.449 6.958 -2.546 5 HA3 GLY 1 1HA GLY 1 -4.757 7.093 -0.929 6 H CYS 2 H CYS 2 -2.938 5.819 -1.989 7 HA CYS 2 HA CYS 2 -3.240 3.136 -2.886 8 HB2 CYS 2 2HB CYS 2 -1.200 4.909 -2.639 9 HB3 CYS 2 1HB CYS 2 -0.825 3.816 -1.310 10 H CYS 3 H CYS 3 -2.799 4.443 0.365 11 HA CYS 3 HA CYS 3 -2.486 1.977 1.774 12 HB2 CYS 3 2HB CYS 3 -3.713 4.641 2.542 13 HB3 CYS 3 1HB CYS 3 -3.361 3.364 3.700 14 H SER 4 H SER 4 -5.318 3.463 0.323 15 HA SER 4 HA SER 4 -7.291 1.933 1.824 16 HB2 SER 4 2HB SER 4 -7.667 3.090 -0.930 17 HB3 SER 4 1HB SER 4 -8.814 3.035 0.403 18 HG SER 4 HG SER 4 -7.743 4.666 1.402 19 H ASN 5 H ASN 5 -5.012 1.031 -0.530 20 HA ASN 5 HA ASN 5 -6.725 -1.203 -1.558 21 HB2 ASN 5 2HB ASN 5 -5.586 0.434 -3.148 22 HB3 ASN 5 1HB ASN 5 -4.037 -0.199 -2.575 23 HD21 ASN 5 1HD2 ASN 5 -4.769 -0.508 -5.309 24 HD22 ASN 5 2HD2 ASN 5 -5.073 -2.150 -5.616 25 HA PRO 6 HA PRO 6 -4.283 -3.669 1.279 26 HB2 PRO 6 2HB PRO 6 -5.208 -6.101 0.385 27 HB3 PRO 6 1HB PRO 6 -6.102 -5.074 1.522 28 HG2 PRO 6 2HG PRO 6 -6.432 -5.342 -1.439 29 HG3 PRO 6 1HG PRO 6 -7.673 -5.274 -0.172 30 HD2 PRO 6 2HD PRO 6 -7.088 -3.121 -1.650 31 HD3 PRO 6 1HD PRO 6 -7.478 -2.972 0.082 32 H ALA 7 H ALA 7 -4.533 -4.188 -2.230 33 HA ALA 7 HA ALA 7 -2.204 -5.853 -2.531 34 HB1 ALA 7 1HB ALA 7 -3.583 -3.848 -4.348 35 HB2 ALA 7 2HB ALA 7 -3.867 -5.585 -4.293 36 HB3 ALA 7 3HB ALA 7 -2.331 -4.964 -4.897 37 H CYS 8 H CYS 8 -2.696 -2.327 -2.506 38 HA CYS 8 HA CYS 8 0.113 -1.723 -3.015 39 HB2 CYS 8 2HB CYS 8 -1.610 -0.147 -3.695 40 HB3 CYS 8 1HB CYS 8 -2.221 -0.052 -2.038 41 H MET 9 H MET 9 -2.040 -1.653 -0.158 42 HA MET 9 HA MET 9 -0.300 -0.647 1.788 43 HB2 MET 9 2HB MET 9 -2.597 -2.546 1.657 44 HB3 MET 9 1HB MET 9 -1.700 -2.479 3.170 45 HG2 MET 9 2HG MET 9 -2.788 -0.029 1.761 46 HG3 MET 9 1HG MET 9 -3.644 -0.876 3.049 47 HE1 MET 9 3HE MET 9 -2.784 -1.478 5.137 48 HE2 MET 9 1HE MET 9 -1.792 -0.442 6.174 49 HE3 MET 9 2HE MET 9 -1.030 -1.660 5.155 50 H VAL 10 H VAL 10 -0.682 -4.115 0.918 51 HA VAL 10 HA VAL 10 1.462 -4.952 2.695 52 HB VAL 10 HB VAL 10 0.200 -6.388 0.337 53 HG11 VAL 10 1HG1 VAL 10 2.309 -7.194 1.883 54 HG12 VAL 10 2HG1 VAL 10 1.175 -8.293 1.097 55 HG13 VAL 10 3HG1 VAL 10 0.947 -7.851 2.789 56 HG21 VAL 10 3HG2 VAL 10 -1.724 -6.448 1.496 57 HG22 VAL 10 1HG2 VAL 10 -1.013 -5.403 2.725 58 HG23 VAL 10 2HG2 VAL 10 -0.883 -7.160 2.877 59 H ASN 11 H ASN 11 1.460 -3.725 -0.593 60 HA ASN 11 HA ASN 11 4.210 -4.842 -1.002 61 HB2 ASN 11 2HB ASN 11 2.052 -3.778 -2.827 62 HB3 ASN 11 1HB ASN 11 3.693 -4.081 -3.400 63 HD21 ASN 11 1HD2 ASN 11 0.670 -5.570 -2.701 64 HD22 ASN 11 2HD2 ASN 11 1.180 -7.184 -2.877 65 H ASN 12 H ASN 12 2.714 -1.886 -0.101 66 HA ASN 12 HA ASN 12 5.195 -0.423 -0.942 67 HB2 ASN 12 2HB ASN 12 2.343 0.079 -1.495 68 HB3 ASN 12 1HB ASN 12 3.220 1.491 -0.912 69 HD21 ASN 12 1HD2 ASN 12 3.270 -1.023 -3.449 70 HD22 ASN 12 2HD2 ASN 12 4.207 -0.123 -4.542 71 HA PRO 13 HA PRO 13 4.471 -0.028 3.637 72 HB2 PRO 13 2HB PRO 13 7.094 -0.484 4.318 73 HB3 PRO 13 1HB PRO 13 5.894 -1.778 4.136 74 HG2 PRO 13 2HG PRO 13 7.981 -0.858 2.213 75 HG3 PRO 13 1HG PRO 13 7.462 -2.504 2.612 76 HD2 PRO 13 2HD PRO 13 6.646 -1.233 0.370 77 HD3 PRO 13 1HD PRO 13 5.628 -2.410 1.230 78 H GLN 14 H GLN 14 6.996 1.201 1.460 79 HA GLN 14 HA GLN 14 7.803 3.436 3.084 80 HB2 GLN 14 2HB GLN 14 8.890 4.178 1.045 81 HB3 GLN 14 1HB GLN 14 9.035 2.425 1.136 82 HG2 GLN 14 2HG GLN 14 6.611 3.387 -0.254 83 HG3 GLN 14 1HG GLN 14 8.125 3.788 -1.056 84 HE21 GLN 14 1HE2 GLN 14 7.990 2.227 -2.765 85 HE22 GLN 14 2HE2 GLN 14 8.029 0.554 -2.477 86 H ILE 15 H ILE 15 4.980 2.859 1.172 87 HA ILE 15 HA ILE 15 4.303 5.754 1.030 88 HB ILE 15 HB ILE 15 2.850 3.307 -0.044 89 HG12 ILE 15 2HG1 ILE 15 5.103 3.429 -1.013 90 HG13 ILE 15 1HG1 ILE 15 3.901 3.882 -2.218 91 HG21 ILE 15 1HG2 ILE 15 2.371 5.502 -1.676 92 HG22 ILE 15 2HG2 ILE 15 2.325 6.175 -0.048 93 HG23 ILE 15 3HG2 ILE 15 1.260 4.839 -0.482 94 HD11 ILE 15 3HD1 ILE 15 4.324 6.280 -1.739 95 HD12 ILE 15 1HD1 ILE 15 5.793 5.456 -2.268 96 HD13 ILE 15 2HD1 ILE 15 5.552 5.815 -0.561 97 H CYS 16 H CYS 16 3.118 2.671 2.401 98 HA CYS 16 HA CYS 16 1.140 4.233 4.027 99 HB2 CYS 16 2HB CYS 16 1.273 1.347 3.099 100 HB3 CYS 16 1HB CYS 16 0.062 1.945 4.237 101 HN1 NH2 17 HN1 NH2 17 3.226 1.280 4.358 102 HN2 NH2 17 HN2 NH2 17 3.594 1.551 5.987 Start of MODEL 12 1 H1 GLY 1 1HT GLY 1 -6.487 6.592 -3.834 2 H2 GLY 1 2HT GLY 1 -6.725 5.442 -2.607 3 H3 GLY 1 3HT GLY 1 -6.246 4.948 -4.160 4 HA2 GLY 1 2HA GLY 1 -4.180 6.303 -3.831 5 HA3 GLY 1 1HA GLY 1 -4.660 6.403 -2.134 6 H CYS 2 H CYS 2 -2.496 5.146 -1.966 7 HA CYS 2 HA CYS 2 -2.677 2.315 -2.755 8 HB2 CYS 2 2HB CYS 2 -0.624 3.947 -2.712 9 HB3 CYS 2 1HB CYS 2 -0.542 3.500 -1.011 10 H CYS 3 H CYS 3 -2.304 4.117 0.272 11 HA CYS 3 HA CYS 3 -2.500 1.968 2.099 12 HB2 CYS 3 2HB CYS 3 -3.418 4.852 2.282 13 HB3 CYS 3 1HB CYS 3 -3.276 3.779 3.672 14 H SER 4 H SER 4 -5.028 3.530 0.227 15 HA SER 4 HA SER 4 -7.293 2.650 1.767 16 HB2 SER 4 2HB SER 4 -8.213 2.885 -0.771 17 HB3 SER 4 1HB SER 4 -7.870 4.275 0.251 18 HG SER 4 HG SER 4 -6.440 3.213 -1.908 19 H ASN 5 H ASN 5 -5.199 1.057 -0.569 20 HA ASN 5 HA ASN 5 -7.036 -1.313 -0.655 21 HB2 ASN 5 2HB ASN 5 -6.380 -0.198 -2.772 22 HB3 ASN 5 1HB ASN 5 -4.684 -0.467 -2.379 23 HD21 ASN 5 1HD2 ASN 5 -5.985 -1.561 -4.747 24 HD22 ASN 5 2HD2 ASN 5 -5.963 -3.254 -4.596 25 HA PRO 6 HA PRO 6 -4.112 -3.211 2.141 26 HB2 PRO 6 2HB PRO 6 -4.976 -5.803 1.813 27 HB3 PRO 6 1HB PRO 6 -5.792 -4.619 2.854 28 HG2 PRO 6 2HG PRO 6 -6.451 -5.447 0.060 29 HG3 PRO 6 1HG PRO 6 -7.531 -5.185 1.443 30 HD2 PRO 6 2HD PRO 6 -7.261 -3.335 -0.471 31 HD3 PRO 6 1HD PRO 6 -7.460 -2.876 1.236 32 H ALA 7 H ALA 7 -4.720 -4.475 -1.141 33 HA ALA 7 HA ALA 7 -2.257 -5.989 -1.375 34 HB1 ALA 7 1HB ALA 7 -3.593 -4.608 -3.699 35 HB2 ALA 7 2HB ALA 7 -4.484 -5.860 -2.832 36 HB3 ALA 7 3HB ALA 7 -2.948 -6.249 -3.607 37 H CYS 8 H CYS 8 -3.214 -2.677 -2.318 38 HA CYS 8 HA CYS 8 -0.665 -1.864 -3.352 39 HB2 CYS 8 2HB CYS 8 -3.059 -0.809 -3.466 40 HB3 CYS 8 1HB CYS 8 -2.597 -0.024 -1.958 41 H MET 9 H MET 9 -2.126 -1.649 -0.089 42 HA MET 9 HA MET 9 -0.150 -0.185 1.282 43 HB2 MET 9 2HB MET 9 -1.934 -2.514 2.013 44 HB3 MET 9 1HB MET 9 -0.932 -1.705 3.205 45 HG2 MET 9 2HG MET 9 -2.326 0.280 1.663 46 HG3 MET 9 1HG MET 9 -3.488 -0.901 2.266 47 HE1 MET 9 3HE MET 9 -3.532 -0.782 5.907 48 HE2 MET 9 1HE MET 9 -3.715 -1.719 4.420 49 HE3 MET 9 2HE MET 9 -4.658 -0.257 4.659 50 H VAL 10 H VAL 10 -0.313 -3.705 0.685 51 HA VAL 10 HA VAL 10 2.184 -4.392 1.934 52 HB VAL 10 HB VAL 10 0.482 -5.609 -0.266 53 HG11 VAL 10 1HG1 VAL 10 2.688 -6.517 -0.590 54 HG12 VAL 10 2HG1 VAL 10 1.752 -7.736 0.278 55 HG13 VAL 10 3HG1 VAL 10 2.917 -6.733 1.144 56 HG21 VAL 10 3HG2 VAL 10 0.029 -5.357 2.442 57 HG22 VAL 10 1HG2 VAL 10 0.754 -6.966 2.326 58 HG23 VAL 10 2HG2 VAL 10 -0.700 -6.581 1.404 59 H ASN 11 H ASN 11 1.320 -3.545 -1.423 60 HA ASN 11 HA ASN 11 3.943 -3.922 -2.551 61 HB2 ASN 11 2HB ASN 11 1.423 -2.455 -3.296 62 HB3 ASN 11 1HB ASN 11 2.874 -2.250 -4.273 63 HD21 ASN 11 1HD2 ASN 11 0.658 -4.786 -3.013 64 HD22 ASN 11 2HD2 ASN 11 0.971 -5.887 -4.268 65 H ASN 12 H ASN 12 2.345 -1.173 -0.970 66 HA ASN 12 HA ASN 12 4.855 0.438 -1.338 67 HB2 ASN 12 2HB ASN 12 1.924 0.990 -1.316 68 HB3 ASN 12 1HB ASN 12 2.967 2.239 -0.636 69 HD21 ASN 12 1HD2 ASN 12 3.335 0.032 -3.490 70 HD22 ASN 12 2HD2 ASN 12 3.671 1.278 -4.584 71 HA PRO 13 HA PRO 13 4.440 -0.621 3.189 72 HB2 PRO 13 2HB PRO 13 7.083 -1.246 3.550 73 HB3 PRO 13 1HB PRO 13 5.861 -2.432 3.047 74 HG2 PRO 13 2HG PRO 13 7.863 -0.961 1.398 75 HG3 PRO 13 1HG PRO 13 7.327 -2.643 1.280 76 HD2 PRO 13 2HD PRO 13 6.446 -0.691 -0.389 77 HD3 PRO 13 1HD PRO 13 5.461 -2.105 0.062 78 H GLN 14 H GLN 14 6.837 1.249 1.360 79 HA GLN 14 HA GLN 14 7.779 2.851 3.569 80 HB2 GLN 14 2HB GLN 14 9.014 3.952 1.899 81 HB3 GLN 14 1HB GLN 14 8.734 2.377 1.169 82 HG2 GLN 14 2HG GLN 14 6.695 4.513 0.686 83 HG3 GLN 14 1HG GLN 14 8.233 4.642 -0.157 84 HE21 GLN 14 1HE2 GLN 14 7.943 3.800 -2.227 85 HE22 GLN 14 2HE2 GLN 14 7.119 2.360 -2.582 86 H ILE 15 H ILE 15 4.838 2.894 1.787 87 HA ILE 15 HA ILE 15 4.306 5.722 2.570 88 HB ILE 15 HB ILE 15 3.059 3.785 0.601 89 HG12 ILE 15 2HG1 ILE 15 4.623 6.373 0.348 90 HG13 ILE 15 1HG1 ILE 15 5.128 4.763 -0.164 91 HG21 ILE 15 1HG2 ILE 15 2.107 6.450 1.610 92 HG22 ILE 15 2HG2 ILE 15 1.171 4.996 1.271 93 HG23 ILE 15 3HG2 ILE 15 1.779 5.980 -0.057 94 HD11 ILE 15 3HD1 ILE 15 4.213 5.170 -2.183 95 HD12 ILE 15 1HD1 ILE 15 3.572 6.709 -1.620 96 HD13 ILE 15 2HD1 ILE 15 2.629 5.231 -1.410 97 H CYS 16 H CYS 16 2.722 2.481 2.652 98 HA CYS 16 HA CYS 16 0.883 3.525 4.769 99 HB2 CYS 16 2HB CYS 16 0.827 0.899 3.245 100 HB3 CYS 16 1HB CYS 16 -0.485 1.613 4.177 101 HN1 NH2 17 HN1 NH2 17 3.589 1.297 4.344 102 HN2 NH2 17 HN2 NH2 17 3.565 0.669 5.920 Start of MODEL 13 1 H1 GLY 1 1HT GLY 1 -7.361 6.092 -1.721 2 H2 GLY 1 2HT GLY 1 -6.843 7.090 -0.458 3 H3 GLY 1 3HT GLY 1 -6.644 5.405 -0.340 4 HA2 GLY 1 2HA GLY 1 -5.412 6.767 -2.608 5 HA3 GLY 1 1HA GLY 1 -4.676 6.985 -1.024 6 H CYS 2 H CYS 2 -2.899 5.760 -2.246 7 HA CYS 2 HA CYS 2 -3.072 3.068 -3.053 8 HB2 CYS 2 2HB CYS 2 -1.142 4.915 -2.931 9 HB3 CYS 2 1HB CYS 2 -0.703 3.996 -1.495 10 H CYS 3 H CYS 3 -2.468 4.378 0.179 11 HA CYS 3 HA CYS 3 -2.055 1.948 1.589 12 HB2 CYS 3 2HB CYS 3 -3.250 4.624 2.337 13 HB3 CYS 3 1HB CYS 3 -2.973 3.355 3.531 14 H SER 4 H SER 4 -5.070 3.497 0.531 15 HA SER 4 HA SER 4 -6.884 1.885 2.069 16 HB2 SER 4 2HB SER 4 -7.491 2.961 -0.672 17 HB3 SER 4 1HB SER 4 -8.504 2.971 0.769 18 HG SER 4 HG SER 4 -7.406 4.679 1.550 19 H ASN 5 H ASN 5 -4.996 1.242 -0.812 20 HA ASN 5 HA ASN 5 -6.642 -1.067 -1.645 21 HB2 ASN 5 2HB ASN 5 -5.292 0.620 -3.097 22 HB3 ASN 5 1HB ASN 5 -3.871 -0.304 -2.598 23 HD21 ASN 5 1HD2 ASN 5 -4.053 -0.569 -5.186 24 HD22 ASN 5 2HD2 ASN 5 -4.870 -1.966 -5.697 25 HA PRO 6 HA PRO 6 -4.457 -3.665 1.270 26 HB2 PRO 6 2HB PRO 6 -5.265 -6.071 0.203 27 HB3 PRO 6 1HB PRO 6 -6.270 -5.083 1.287 28 HG2 PRO 6 2HG PRO 6 -6.304 -5.240 -1.704 29 HG3 PRO 6 1HG PRO 6 -7.661 -5.234 -0.561 30 HD2 PRO 6 2HD PRO 6 -6.988 -3.014 -1.871 31 HD3 PRO 6 1HD PRO 6 -7.505 -2.948 -0.169 32 H ALA 7 H ALA 7 -4.361 -4.254 -2.247 33 HA ALA 7 HA ALA 7 -1.966 -5.822 -2.297 34 HB1 ALA 7 1HB ALA 7 -2.291 -3.981 -4.540 35 HB2 ALA 7 2HB ALA 7 -3.819 -4.737 -4.093 36 HB3 ALA 7 3HB ALA 7 -2.434 -5.738 -4.520 37 H CYS 8 H CYS 8 -2.469 -2.282 -2.684 38 HA CYS 8 HA CYS 8 0.339 -1.631 -2.822 39 HB2 CYS 8 2HB CYS 8 -1.367 -0.112 -3.652 40 HB3 CYS 8 1HB CYS 8 -2.096 0.006 -2.052 41 H MET 9 H MET 9 -2.019 -1.545 -0.116 42 HA MET 9 HA MET 9 -0.397 -0.527 1.930 43 HB2 MET 9 2HB MET 9 -2.862 -1.797 1.651 44 HB3 MET 9 1HB MET 9 -1.971 -2.872 2.725 45 HG2 MET 9 2HG MET 9 -1.344 -0.741 4.041 46 HG3 MET 9 1HG MET 9 -2.633 0.051 3.128 47 HE1 MET 9 3HE MET 9 -4.639 -1.325 2.565 48 HE2 MET 9 1HE MET 9 -5.764 -1.718 3.874 49 HE3 MET 9 2HE MET 9 -4.759 -2.979 3.164 50 H VAL 10 H VAL 10 -0.531 -3.879 0.716 51 HA VAL 10 HA VAL 10 1.538 -4.793 2.583 52 HB VAL 10 HB VAL 10 0.120 -6.069 0.216 53 HG11 VAL 10 1HG1 VAL 10 2.307 -7.154 0.715 54 HG12 VAL 10 2HG1 VAL 10 0.942 -8.207 1.097 55 HG13 VAL 10 3HG1 VAL 10 1.791 -7.358 2.388 56 HG21 VAL 10 3HG2 VAL 10 -0.317 -6.144 3.213 57 HG22 VAL 10 1HG2 VAL 10 -1.073 -7.289 2.096 58 HG23 VAL 10 2HG2 VAL 10 -1.439 -5.567 1.978 59 H ASN 11 H ASN 11 1.342 -4.333 -0.984 60 HA ASN 11 HA ASN 11 4.151 -4.997 -1.382 61 HB2 ASN 11 2HB ASN 11 1.943 -3.809 -3.054 62 HB3 ASN 11 1HB ASN 11 3.582 -3.959 -3.683 63 HD21 ASN 11 1HD2 ASN 11 4.410 -6.431 -2.671 64 HD22 ASN 11 2HD2 ASN 11 3.395 -7.659 -3.249 65 H ASN 12 H ASN 12 2.461 -2.004 -0.656 66 HA ASN 12 HA ASN 12 5.024 -0.523 -1.174 67 HB2 ASN 12 2HB ASN 12 2.201 -0.077 -1.881 68 HB3 ASN 12 1HB ASN 12 2.993 1.340 -1.202 69 HD21 ASN 12 1HD2 ASN 12 2.773 -0.674 -4.025 70 HD22 ASN 12 2HD2 ASN 12 3.972 0.108 -4.929 71 HA PRO 13 HA PRO 13 3.972 -0.263 3.364 72 HB2 PRO 13 2HB PRO 13 6.553 -0.657 4.214 73 HB3 PRO 13 1HB PRO 13 5.411 -1.987 3.937 74 HG2 PRO 13 2HG PRO 13 7.586 -0.967 2.160 75 HG3 PRO 13 1HG PRO 13 7.105 -2.640 2.507 76 HD2 PRO 13 2HD PRO 13 6.377 -1.380 0.232 77 HD3 PRO 13 1HD PRO 13 5.338 -2.582 1.028 78 H GLN 14 H GLN 14 6.554 1.040 1.331 79 HA GLN 14 HA GLN 14 7.407 3.219 2.931 80 HB2 GLN 14 2HB GLN 14 8.006 4.190 0.639 81 HB3 GLN 14 1HB GLN 14 8.659 2.596 0.995 82 HG2 GLN 14 2HG GLN 14 7.476 1.626 -0.692 83 HG3 GLN 14 1HG GLN 14 5.997 2.474 -0.245 84 HE21 GLN 14 1HE2 GLN 14 5.572 2.980 -2.536 85 HE22 GLN 14 2HE2 GLN 14 6.473 4.181 -3.329 86 H ILE 15 H ILE 15 4.512 2.830 1.015 87 HA ILE 15 HA ILE 15 3.825 5.671 0.947 88 HB ILE 15 HB ILE 15 2.091 3.201 0.532 89 HG12 ILE 15 2HG1 ILE 15 4.128 3.203 -0.917 90 HG13 ILE 15 1HG1 ILE 15 2.644 3.409 -1.847 91 HG21 ILE 15 1HG2 ILE 15 1.828 6.038 -0.512 92 HG22 ILE 15 2HG2 ILE 15 0.868 5.345 0.795 93 HG23 ILE 15 3HG2 ILE 15 0.725 4.709 -0.842 94 HD11 ILE 15 3HD1 ILE 15 4.010 5.090 -2.746 95 HD12 ILE 15 1HD1 ILE 15 4.762 5.450 -1.188 96 HD13 ILE 15 2HD1 ILE 15 3.108 5.977 -1.516 97 H CYS 16 H CYS 16 2.876 2.834 2.902 98 HA CYS 16 HA CYS 16 1.331 4.657 4.712 99 HB2 CYS 16 2HB CYS 16 1.329 1.640 4.752 100 HB3 CYS 16 1HB CYS 16 0.056 2.745 5.261 101 HN1 NH2 17 HN1 NH2 17 4.290 4.556 4.868 102 HN2 NH2 17 HN2 NH2 17 4.682 3.885 6.375 Start of MODEL 14 1 H1 GLY 1 1HT GLY 1 -7.576 6.338 -1.864 2 H2 GLY 1 2HT GLY 1 -6.928 6.977 -0.428 3 H3 GLY 1 3HT GLY 1 -6.951 5.296 -0.680 4 HA2 GLY 1 2HA GLY 1 -5.615 6.609 -2.811 5 HA3 GLY 1 1HA GLY 1 -4.892 7.044 -1.265 6 H CYS 2 H CYS 2 -3.037 5.751 -2.161 7 HA CYS 2 HA CYS 2 -3.092 3.011 -2.747 8 HB2 CYS 2 2HB CYS 2 -1.202 4.985 -2.409 9 HB3 CYS 2 1HB CYS 2 -0.837 3.885 -1.084 10 H CYS 3 H CYS 3 -3.041 4.586 0.415 11 HA CYS 3 HA CYS 3 -2.613 2.284 2.046 12 HB2 CYS 3 2HB CYS 3 -3.285 5.041 2.329 13 HB3 CYS 3 1HB CYS 3 -4.448 4.120 3.281 14 H SER 4 H SER 4 -5.540 3.534 0.478 15 HA SER 4 HA SER 4 -7.403 1.785 1.848 16 HB2 SER 4 2HB SER 4 -7.934 2.859 -0.892 17 HB3 SER 4 1HB SER 4 -8.960 2.884 0.538 18 HG SER 4 HG SER 4 -7.835 4.597 1.323 19 H ASN 5 H ASN 5 -5.098 1.277 -0.667 20 HA ASN 5 HA ASN 5 -6.553 -1.027 -1.836 21 HB2 ASN 5 2HB ASN 5 -5.185 0.793 -3.084 22 HB3 ASN 5 1HB ASN 5 -3.758 -0.047 -2.474 23 HD21 ASN 5 1HD2 ASN 5 -4.322 0.098 -5.267 24 HD22 ASN 5 2HD2 ASN 5 -4.693 -1.462 -5.825 25 HA PRO 6 HA PRO 6 -4.431 -3.583 1.173 26 HB2 PRO 6 2HB PRO 6 -5.255 -5.987 0.115 27 HB3 PRO 6 1HB PRO 6 -6.268 -4.987 1.179 28 HG2 PRO 6 2HG PRO 6 -6.270 -5.181 -1.798 29 HG3 PRO 6 1HG PRO 6 -7.639 -5.132 -0.672 30 HD2 PRO 6 2HD PRO 6 -6.881 -2.960 -2.046 31 HD3 PRO 6 1HD PRO 6 -7.480 -2.838 -0.376 32 H ALA 7 H ALA 7 -4.330 -4.073 -2.351 33 HA ALA 7 HA ALA 7 -1.974 -5.715 -2.429 34 HB1 ALA 7 1HB ALA 7 -3.295 -5.596 -4.397 35 HB2 ALA 7 2HB ALA 7 -1.883 -4.624 -4.800 36 HB3 ALA 7 3HB ALA 7 -3.387 -3.832 -4.335 37 H CYS 8 H CYS 8 -2.457 -2.167 -2.510 38 HA CYS 8 HA CYS 8 0.351 -1.539 -2.829 39 HB2 CYS 8 2HB CYS 8 -1.435 0.016 -3.450 40 HB3 CYS 8 1HB CYS 8 -1.993 0.075 -1.775 41 H MET 9 H MET 9 -1.843 -1.528 0.013 42 HA MET 9 HA MET 9 -0.048 -0.667 1.994 43 HB2 MET 9 2HB MET 9 -2.401 -2.547 1.873 44 HB3 MET 9 1HB MET 9 -1.573 -2.262 3.399 45 HG2 MET 9 2HG MET 9 -2.572 -0.007 1.652 46 HG3 MET 9 1HG MET 9 -3.559 -0.736 2.921 47 HE1 MET 9 3HE MET 9 -2.789 1.172 5.866 48 HE2 MET 9 1HE MET 9 -3.056 -0.545 5.518 49 HE3 MET 9 2HE MET 9 -3.959 0.686 4.638 50 H VAL 10 H VAL 10 -0.532 -4.015 0.797 51 HA VAL 10 HA VAL 10 1.516 -5.059 2.613 52 HB VAL 10 HB VAL 10 -0.590 -6.228 1.839 53 HG11 VAL 10 1HG1 VAL 10 -0.500 -7.337 -0.385 54 HG12 VAL 10 2HG1 VAL 10 0.999 -6.481 -0.736 55 HG13 VAL 10 3HG1 VAL 10 -0.499 -5.579 -0.541 56 HG21 VAL 10 3HG2 VAL 10 1.348 -7.444 2.826 57 HG22 VAL 10 1HG2 VAL 10 2.008 -7.665 1.206 58 HG23 VAL 10 2HG2 VAL 10 0.476 -8.420 1.643 59 H ASN 11 H ASN 11 1.443 -3.996 -0.768 60 HA ASN 11 HA ASN 11 4.179 -5.120 -1.206 61 HB2 ASN 11 2HB ASN 11 2.030 -3.953 -2.983 62 HB3 ASN 11 1HB ASN 11 3.644 -4.322 -3.580 63 HD21 ASN 11 1HD2 ASN 11 0.573 -5.677 -3.149 64 HD22 ASN 11 2HD2 ASN 11 1.014 -7.315 -3.236 65 H ASN 12 H ASN 12 2.747 -2.110 -0.320 66 HA ASN 12 HA ASN 12 5.312 -0.737 -1.046 67 HB2 ASN 12 2HB ASN 12 2.572 -0.254 -1.976 68 HB3 ASN 12 1HB ASN 12 3.328 1.191 -1.308 69 HD21 ASN 12 1HD2 ASN 12 3.723 -1.342 -3.786 70 HD22 ASN 12 2HD2 ASN 12 4.809 -0.463 -4.744 71 HA PRO 13 HA PRO 13 4.092 -0.094 3.407 72 HB2 PRO 13 2HB PRO 13 6.624 -0.507 4.387 73 HB3 PRO 13 1HB PRO 13 5.454 -1.824 4.162 74 HG2 PRO 13 2HG PRO 13 7.708 -0.968 2.411 75 HG3 PRO 13 1HG PRO 13 7.180 -2.603 2.844 76 HD2 PRO 13 2HD PRO 13 6.576 -1.489 0.463 77 HD3 PRO 13 1HD PRO 13 5.468 -2.606 1.292 78 H GLN 14 H GLN 14 6.790 1.023 1.395 79 HA GLN 14 HA GLN 14 7.628 3.279 2.899 80 HB2 GLN 14 2HB GLN 14 8.389 4.100 0.651 81 HB3 GLN 14 1HB GLN 14 8.834 2.423 0.966 82 HG2 GLN 14 2HG GLN 14 7.270 1.584 -0.556 83 HG3 GLN 14 1HG GLN 14 6.226 2.997 -0.416 84 HE21 GLN 14 1HE2 GLN 14 6.397 2.817 -2.915 85 HE22 GLN 14 2HE2 GLN 14 7.680 3.651 -3.648 86 H ILE 15 H ILE 15 4.738 2.786 1.031 87 HA ILE 15 HA ILE 15 4.087 5.644 0.807 88 HB ILE 15 HB ILE 15 2.410 3.145 0.339 89 HG12 ILE 15 2HG1 ILE 15 4.363 4.668 -1.397 90 HG13 ILE 15 1HG1 ILE 15 4.285 2.931 -1.096 91 HG21 ILE 15 1HG2 ILE 15 1.737 5.902 0.334 92 HG22 ILE 15 2HG2 ILE 15 0.749 4.564 -0.247 93 HG23 ILE 15 3HG2 ILE 15 1.826 5.412 -1.356 94 HD11 ILE 15 3HD1 ILE 15 1.902 3.146 -2.188 95 HD12 ILE 15 1HD1 ILE 15 3.332 3.083 -3.217 96 HD13 ILE 15 2HD1 ILE 15 2.567 4.627 -2.873 97 H CYS 16 H CYS 16 3.036 2.858 2.782 98 HA CYS 16 HA CYS 16 1.670 4.799 4.621 99 HB2 CYS 16 2HB CYS 16 0.947 2.011 3.674 100 HB3 CYS 16 1HB CYS 16 0.197 2.737 5.091 101 HN1 NH2 17 HN1 NH2 17 4.099 4.674 5.523 102 HN2 NH2 17 HN2 NH2 17 4.386 3.451 6.663 Start of MODEL 15 1 H1 GLY 1 1HT GLY 1 -7.621 5.178 -2.478 2 H2 GLY 1 2HT GLY 1 -6.582 4.580 -3.680 3 H3 GLY 1 3HT GLY 1 -7.105 6.195 -3.728 4 HA2 GLY 1 2HA GLY 1 -5.101 6.581 -2.814 5 HA3 GLY 1 1HA GLY 1 -5.991 6.195 -1.337 6 H CYS 2 H CYS 2 -3.095 5.670 -2.201 7 HA CYS 2 HA CYS 2 -2.714 2.879 -2.616 8 HB2 CYS 2 2HB CYS 2 -1.105 5.044 -2.476 9 HB3 CYS 2 1HB CYS 2 -0.788 4.337 -0.892 10 H CYS 3 H CYS 3 -2.875 4.734 0.391 11 HA CYS 3 HA CYS 3 -2.550 2.511 2.188 12 HB2 CYS 3 2HB CYS 3 -3.401 5.345 2.271 13 HB3 CYS 3 1HB CYS 3 -4.047 4.341 3.571 14 H SER 4 H SER 4 -5.330 3.833 0.458 15 HA SER 4 HA SER 4 -7.336 2.301 1.925 16 HB2 SER 4 2HB SER 4 -7.880 3.199 -0.851 17 HB3 SER 4 1HB SER 4 -8.768 3.546 0.628 18 HG SER 4 HG SER 4 -7.482 5.229 1.028 19 H ASN 5 H ASN 5 -4.977 1.521 -0.456 20 HA ASN 5 HA ASN 5 -6.535 -0.769 -1.545 21 HB2 ASN 5 2HB ASN 5 -5.235 0.879 -2.979 22 HB3 ASN 5 1HB ASN 5 -3.759 0.253 -2.239 23 HD21 ASN 5 1HD2 ASN 5 -4.380 0.009 -5.082 24 HD22 ASN 5 2HD2 ASN 5 -4.544 -1.647 -5.424 25 HA PRO 6 HA PRO 6 -4.419 -3.272 1.516 26 HB2 PRO 6 2HB PRO 6 -5.294 -5.698 0.563 27 HB3 PRO 6 1HB PRO 6 -6.290 -4.634 1.580 28 HG2 PRO 6 2HG PRO 6 -6.302 -4.952 -1.399 29 HG3 PRO 6 1HG PRO 6 -7.667 -4.832 -0.274 30 HD2 PRO 6 2HD PRO 6 -6.866 -2.720 -1.723 31 HD3 PRO 6 1HD PRO 6 -7.473 -2.535 -0.063 32 H ALA 7 H ALA 7 -4.387 -3.922 -1.995 33 HA ALA 7 HA ALA 7 -2.046 -5.572 -2.069 34 HB1 ALA 7 1HB ALA 7 -1.955 -4.334 -4.433 35 HB2 ALA 7 2HB ALA 7 -3.549 -3.768 -3.930 36 HB3 ALA 7 3HB ALA 7 -3.231 -5.497 -4.067 37 H CYS 8 H CYS 8 -2.457 -2.024 -2.318 38 HA CYS 8 HA CYS 8 0.319 -1.378 -2.619 39 HB2 CYS 8 2HB CYS 8 -1.295 0.308 -3.099 40 HB3 CYS 8 1HB CYS 8 -2.090 0.097 -1.539 41 H MET 9 H MET 9 -1.767 -1.425 0.312 42 HA MET 9 HA MET 9 0.072 -0.742 2.295 43 HB2 MET 9 2HB MET 9 -2.456 -1.872 2.117 44 HB3 MET 9 1HB MET 9 -1.527 -3.119 2.942 45 HG2 MET 9 2HG MET 9 -1.918 -1.930 4.828 46 HG3 MET 9 1HG MET 9 -0.682 -0.827 4.226 47 HE1 MET 9 3HE MET 9 -4.376 -1.554 2.866 48 HE2 MET 9 1HE MET 9 -5.237 -0.442 3.938 49 HE3 MET 9 2HE MET 9 -4.289 -1.763 4.615 50 H VAL 10 H VAL 10 -0.328 -3.948 0.791 51 HA VAL 10 HA VAL 10 1.837 -5.133 2.384 52 HB VAL 10 HB VAL 10 0.313 -6.168 -0.037 53 HG11 VAL 10 1HG1 VAL 10 0.927 -8.371 0.808 54 HG12 VAL 10 2HG1 VAL 10 1.716 -7.650 2.208 55 HG13 VAL 10 3HG1 VAL 10 2.389 -7.415 0.596 56 HG21 VAL 10 3HG2 VAL 10 -0.795 -5.403 2.369 57 HG22 VAL 10 1HG2 VAL 10 -0.437 -7.104 2.655 58 HG23 VAL 10 2HG2 VAL 10 -1.463 -6.636 1.299 59 H ASN 11 H ASN 11 1.415 -4.100 -1.027 60 HA ASN 11 HA ASN 11 4.161 -4.940 -1.710 61 HB2 ASN 11 2HB ASN 11 1.735 -3.874 -3.089 62 HB3 ASN 11 1HB ASN 11 3.287 -3.690 -3.898 63 HD21 ASN 11 1HD2 ASN 11 1.020 -6.136 -2.606 64 HD22 ASN 11 2HD2 ASN 11 1.678 -7.431 -3.482 65 H ASN 12 H ASN 12 2.750 -2.018 -0.485 66 HA ASN 12 HA ASN 12 5.250 -0.570 -1.271 67 HB2 ASN 12 2HB ASN 12 2.393 -0.019 -1.806 68 HB3 ASN 12 1HB ASN 12 3.333 1.370 -1.275 69 HD21 ASN 12 1HD2 ASN 12 3.016 -1.051 -3.862 70 HD22 ASN 12 2HD2 ASN 12 4.067 -0.270 -4.949 71 HA PRO 13 HA PRO 13 4.575 -0.223 3.289 72 HB2 PRO 13 2HB PRO 13 7.238 -0.364 3.902 73 HB3 PRO 13 1HB PRO 13 6.202 -1.794 3.720 74 HG2 PRO 13 2HG PRO 13 8.127 -0.592 1.784 75 HG3 PRO 13 1HG PRO 13 7.810 -2.296 2.148 76 HD2 PRO 13 2HD PRO 13 6.807 -1.068 -0.046 77 HD3 PRO 13 1HD PRO 13 5.961 -2.388 0.788 78 H GLN 14 H GLN 14 6.701 1.424 1.010 79 HA GLN 14 HA GLN 14 7.689 3.575 2.543 80 HB2 GLN 14 2HB GLN 14 6.682 3.648 -0.321 81 HB3 GLN 14 1HB GLN 14 7.880 4.724 0.392 82 HG2 GLN 14 2HG GLN 14 9.463 3.269 -0.294 83 HG3 GLN 14 1HG GLN 14 8.842 2.137 0.907 84 HE21 GLN 14 1HE2 GLN 14 8.914 2.880 -2.531 85 HE22 GLN 14 2HE2 GLN 14 8.055 1.505 -3.036 86 H ILE 15 H ILE 15 4.462 3.103 1.253 87 HA ILE 15 HA ILE 15 3.689 5.816 2.225 88 HB ILE 15 HB ILE 15 1.534 4.995 0.829 89 HG12 ILE 15 2HG1 ILE 15 2.938 2.790 0.360 90 HG13 ILE 15 1HG1 ILE 15 1.956 3.512 -0.909 91 HG21 ILE 15 1HG2 ILE 15 4.078 6.351 0.029 92 HG22 ILE 15 2HG2 ILE 15 2.443 7.003 0.145 93 HG23 ILE 15 3HG2 ILE 15 2.890 5.991 -1.226 94 HD11 ILE 15 3HD1 ILE 15 4.397 2.869 -1.507 95 HD12 ILE 15 1HD1 ILE 15 4.852 4.282 -0.558 96 HD13 ILE 15 2HD1 ILE 15 3.833 4.472 -1.986 97 H CYS 16 H CYS 16 2.748 2.369 2.413 98 HA CYS 16 HA CYS 16 1.272 3.023 4.936 99 HB2 CYS 16 2HB CYS 16 0.258 1.163 2.773 100 HB3 CYS 16 1HB CYS 16 -0.633 1.775 4.167 101 HN1 NH2 17 HN1 NH2 17 3.859 1.894 4.951 102 HN2 NH2 17 HN2 NH2 17 3.762 0.257 5.391 Start of MODEL 16 1 H1 GLY 1 1HT GLY 1 -6.689 5.544 -0.911 2 H2 GLY 1 2HT GLY 1 -7.699 6.039 -2.185 3 H3 GLY 1 3HT GLY 1 -6.883 7.196 -1.253 4 HA2 GLY 1 2HA GLY 1 -6.008 6.433 -3.605 5 HA3 GLY 1 1HA GLY 1 -4.921 6.915 -2.303 6 H CYS 2 H CYS 2 -3.419 5.410 -3.537 7 HA CYS 2 HA CYS 2 -3.785 2.623 -3.790 8 HB2 CYS 2 2HB CYS 2 -1.871 4.272 -4.506 9 HB3 CYS 2 1HB CYS 2 -1.155 3.821 -2.964 10 H CYS 3 H CYS 3 -2.344 4.403 -1.092 11 HA CYS 3 HA CYS 3 -1.742 2.226 0.605 12 HB2 CYS 3 2HB CYS 3 -2.021 5.105 0.762 13 HB3 CYS 3 1HB CYS 3 -2.630 4.350 2.234 14 H SER 4 H SER 4 -4.882 3.668 -0.119 15 HA SER 4 HA SER 4 -6.303 2.537 2.141 16 HB2 SER 4 2HB SER 4 -7.535 3.128 -0.538 17 HB3 SER 4 1HB SER 4 -8.160 3.490 1.066 18 HG SER 4 HG SER 4 -6.463 5.068 1.249 19 H ASN 5 H ASN 5 -4.924 1.129 -0.677 20 HA ASN 5 HA ASN 5 -6.852 -1.138 -0.794 21 HB2 ASN 5 2HB ASN 5 -6.021 -0.055 -2.863 22 HB3 ASN 5 1HB ASN 5 -4.360 -0.395 -2.377 23 HD21 ASN 5 1HD2 ASN 5 -4.547 -1.559 -4.651 24 HD22 ASN 5 2HD2 ASN 5 -5.032 -3.183 -4.609 25 HA PRO 6 HA PRO 6 -4.196 -3.312 2.073 26 HB2 PRO 6 2HB PRO 6 -5.189 -5.837 1.602 27 HB3 PRO 6 1HB PRO 6 -5.982 -4.643 2.651 28 HG2 PRO 6 2HG PRO 6 -6.550 -5.299 -0.218 29 HG3 PRO 6 1HG PRO 6 -7.683 -5.064 1.128 30 HD2 PRO 6 2HD PRO 6 -7.261 -3.111 -0.634 31 HD3 PRO 6 1HD PRO 6 -7.450 -2.748 1.099 32 H ALA 7 H ALA 7 -4.705 -4.391 -1.278 33 HA ALA 7 HA ALA 7 -2.360 -6.051 -1.491 34 HB1 ALA 7 1HB ALA 7 -4.506 -5.509 -3.060 35 HB2 ALA 7 2HB ALA 7 -3.014 -6.198 -3.699 36 HB3 ALA 7 3HB ALA 7 -3.314 -4.466 -3.835 37 H CYS 8 H CYS 8 -2.995 -2.620 -2.281 38 HA CYS 8 HA CYS 8 -0.301 -2.000 -3.054 39 HB2 CYS 8 2HB CYS 8 -2.255 -0.652 -3.696 40 HB3 CYS 8 1HB CYS 8 -2.537 -0.244 -2.001 41 H MET 9 H MET 9 -2.054 -1.835 0.052 42 HA MET 9 HA MET 9 -0.254 -0.407 1.652 43 HB2 MET 9 2HB MET 9 -2.070 -2.782 2.053 44 HB3 MET 9 1HB MET 9 -1.116 -2.169 3.394 45 HG2 MET 9 2HG MET 9 -2.633 -0.166 1.812 46 HG3 MET 9 1HG MET 9 -3.567 -1.237 2.856 47 HE1 MET 9 3HE MET 9 -4.286 -0.469 4.871 48 HE2 MET 9 1HE MET 9 -3.237 -0.004 6.215 49 HE3 MET 9 2HE MET 9 -3.044 -1.580 5.458 50 H VAL 10 H VAL 10 -0.167 -3.857 0.731 51 HA VAL 10 HA VAL 10 2.301 -4.414 2.184 52 HB VAL 10 HB VAL 10 0.912 -5.906 -0.075 53 HG11 VAL 10 1HG1 VAL 10 2.113 -7.673 1.760 54 HG12 VAL 10 2HG1 VAL 10 3.304 -6.406 1.476 55 HG13 VAL 10 3HG1 VAL 10 2.653 -7.320 0.119 56 HG21 VAL 10 3HG2 VAL 10 -0.775 -5.968 1.482 57 HG22 VAL 10 1HG2 VAL 10 0.308 -5.587 2.817 58 HG23 VAL 10 2HG2 VAL 10 0.226 -7.235 2.193 59 H ASN 11 H ASN 11 1.422 -3.858 -1.230 60 HA ASN 11 HA ASN 11 4.050 -4.149 -2.337 61 HB2 ASN 11 2HB ASN 11 1.620 -2.549 -3.196 62 HB3 ASN 11 1HB ASN 11 3.021 -2.841 -4.223 63 HD21 ASN 11 1HD2 ASN 11 3.259 -5.695 -2.988 64 HD22 ASN 11 2HD2 ASN 11 2.043 -6.565 -3.782 65 H ASN 12 H ASN 12 2.407 -1.367 -0.860 66 HA ASN 12 HA ASN 12 4.889 0.259 -1.314 67 HB2 ASN 12 2HB ASN 12 1.937 0.867 -1.186 68 HB3 ASN 12 1HB ASN 12 3.130 2.133 -0.933 69 HD21 ASN 12 1HD2 ASN 12 1.868 -0.153 -3.348 70 HD22 ASN 12 2HD2 ASN 12 2.592 0.598 -4.685 71 HA PRO 13 HA PRO 13 4.326 -0.536 3.243 72 HB2 PRO 13 2HB PRO 13 6.959 -1.135 3.724 73 HB3 PRO 13 1HB PRO 13 5.755 -2.354 3.262 74 HG2 PRO 13 2HG PRO 13 7.802 -0.978 1.591 75 HG3 PRO 13 1HG PRO 13 7.274 -2.667 1.561 76 HD2 PRO 13 2HD PRO 13 6.431 -0.838 -0.257 77 HD3 PRO 13 1HD PRO 13 5.429 -2.212 0.262 78 H GLN 14 H GLN 14 6.708 1.257 1.339 79 HA GLN 14 HA GLN 14 7.739 2.947 3.392 80 HB2 GLN 14 2HB GLN 14 8.698 4.136 1.592 81 HB3 GLN 14 1HB GLN 14 8.487 2.518 0.935 82 HG2 GLN 14 2HG GLN 14 6.269 4.517 0.593 83 HG3 GLN 14 1HG GLN 14 7.695 4.648 -0.432 84 HE21 GLN 14 1HE2 GLN 14 6.001 4.087 -2.168 85 HE22 GLN 14 2HE2 GLN 14 5.715 2.440 -2.466 86 H ILE 15 H ILE 15 4.658 2.940 1.810 87 HA ILE 15 HA ILE 15 4.068 5.722 2.685 88 HB ILE 15 HB ILE 15 2.180 3.830 1.271 89 HG12 ILE 15 2HG1 ILE 15 4.459 5.417 0.036 90 HG13 ILE 15 1HG1 ILE 15 4.251 3.664 -0.008 91 HG21 ILE 15 1HG2 ILE 15 1.397 5.942 0.249 92 HG22 ILE 15 2HG2 ILE 15 2.640 6.826 1.136 93 HG23 ILE 15 3HG2 ILE 15 1.337 6.023 2.013 94 HD11 ILE 15 3HD1 ILE 15 1.868 4.445 -1.066 95 HD12 ILE 15 1HD1 ILE 15 3.294 4.114 -2.048 96 HD13 ILE 15 2HD1 ILE 15 2.890 5.774 -1.609 97 H CYS 16 H CYS 16 2.780 2.396 3.059 98 HA CYS 16 HA CYS 16 1.681 3.218 5.722 99 HB2 CYS 16 2HB CYS 16 0.363 1.623 3.508 100 HB3 CYS 16 1HB CYS 16 -0.295 1.763 5.136 101 HN1 NH2 17 HN1 NH2 17 2.261 0.287 3.663 102 HN2 NH2 17 HN2 NH2 17 2.895 -0.653 4.925 Start of MODEL 17 1 H1 GLY 1 1HT GLY 1 -8.472 6.221 -2.380 2 H2 GLY 1 2HT GLY 1 -7.858 5.199 -1.173 3 H3 GLY 1 3HT GLY 1 -8.123 4.604 -2.740 4 HA2 GLY 1 2HA GLY 1 -6.442 6.217 -3.561 5 HA3 GLY 1 1HA GLY 1 -6.067 6.540 -1.865 6 H CYS 2 H CYS 2 -3.897 5.599 -2.822 7 HA CYS 2 HA CYS 2 -3.655 2.813 -3.405 8 HB2 CYS 2 2HB CYS 2 -2.011 4.870 -3.611 9 HB3 CYS 2 1HB CYS 2 -1.490 4.340 -2.011 10 H CYS 3 H CYS 3 -2.995 4.529 -0.368 11 HA CYS 3 HA CYS 3 -2.429 2.265 1.245 12 HB2 CYS 3 2HB CYS 3 -3.352 5.074 1.652 13 HB3 CYS 3 1HB CYS 3 -3.491 3.977 3.027 14 H SER 4 H SER 4 -5.520 3.498 0.084 15 HA SER 4 HA SER 4 -7.205 2.092 1.976 16 HB2 SER 4 2HB SER 4 -8.107 2.617 -0.815 17 HB3 SER 4 1HB SER 4 -8.897 3.010 0.709 18 HG SER 4 HG SER 4 -7.601 4.786 0.927 19 H ASN 5 H ASN 5 -5.487 1.188 -0.944 20 HA ASN 5 HA ASN 5 -6.979 -1.310 -1.372 21 HB2 ASN 5 2HB ASN 5 -5.916 0.095 -3.165 22 HB3 ASN 5 1HB ASN 5 -4.337 -0.296 -2.486 23 HD21 ASN 5 1HD2 ASN 5 -5.116 -1.030 -5.179 24 HD22 ASN 5 2HD2 ASN 5 -5.174 -2.721 -5.261 25 HA PRO 6 HA PRO 6 -4.542 -3.492 1.677 26 HB2 PRO 6 2HB PRO 6 -5.266 -6.032 0.899 27 HB3 PRO 6 1HB PRO 6 -6.300 -4.990 1.898 28 HG2 PRO 6 2HG PRO 6 -6.386 -5.476 -1.049 29 HG3 PRO 6 1HG PRO 6 -7.722 -5.394 0.113 30 HD2 PRO 6 2HD PRO 6 -7.129 -3.325 -1.491 31 HD3 PRO 6 1HD PRO 6 -7.694 -3.066 0.176 32 H ALA 7 H ALA 7 -4.521 -4.182 -1.805 33 HA ALA 7 HA ALA 7 -2.061 -5.719 -1.824 34 HB1 ALA 7 1HB ALA 7 -3.188 -3.990 -4.048 35 HB2 ALA 7 2HB ALA 7 -3.928 -5.523 -3.597 36 HB3 ALA 7 3HB ALA 7 -2.275 -5.488 -4.201 37 H CYS 8 H CYS 8 -2.825 -2.259 -2.451 38 HA CYS 8 HA CYS 8 -0.113 -1.440 -2.885 39 HB2 CYS 8 2HB CYS 8 -1.933 -0.032 -3.581 40 HB3 CYS 8 1HB CYS 8 -2.593 0.013 -1.945 41 H MET 9 H MET 9 -2.169 -1.464 0.047 42 HA MET 9 HA MET 9 -0.480 -0.251 1.922 43 HB2 MET 9 2HB MET 9 -2.681 -2.157 1.882 44 HB3 MET 9 1HB MET 9 -1.545 -2.538 3.175 45 HG2 MET 9 2HG MET 9 -1.797 0.242 3.286 46 HG3 MET 9 1HG MET 9 -3.432 -0.335 2.971 47 HE1 MET 9 3HE MET 9 -0.348 -0.327 5.085 48 HE2 MET 9 1HE MET 9 -0.413 -2.091 4.973 49 HE3 MET 9 2HE MET 9 -0.697 -1.292 6.518 50 H VAL 10 H VAL 10 -0.329 -3.610 0.722 51 HA VAL 10 HA VAL 10 2.026 -4.250 2.372 52 HB VAL 10 HB VAL 10 0.606 -5.685 0.094 53 HG11 VAL 10 1HG1 VAL 10 1.950 -7.509 0.451 54 HG12 VAL 10 2HG1 VAL 10 2.140 -7.166 2.166 55 HG13 VAL 10 3HG1 VAL 10 3.098 -6.281 0.984 56 HG21 VAL 10 3HG2 VAL 10 0.377 -5.967 3.110 57 HG22 VAL 10 1HG2 VAL 10 -0.448 -6.979 1.926 58 HG23 VAL 10 2HG2 VAL 10 -0.838 -5.266 2.045 59 H ASN 11 H ASN 11 1.310 -3.591 -1.065 60 HA ASN 11 HA ASN 11 3.960 -4.023 -2.086 61 HB2 ASN 11 2HB ASN 11 1.454 -2.635 -2.945 62 HB3 ASN 11 1HB ASN 11 2.931 -2.278 -3.833 63 HD21 ASN 11 1HD2 ASN 11 0.596 -4.821 -3.076 64 HD22 ASN 11 2HD2 ASN 11 1.194 -5.949 -4.198 65 H ASN 12 H ASN 12 2.506 -1.272 -0.434 66 HA ASN 12 HA ASN 12 4.976 0.349 -0.957 67 HB2 ASN 12 2HB ASN 12 2.066 0.905 -0.538 68 HB3 ASN 12 1HB ASN 12 3.211 2.100 0.061 69 HD21 ASN 12 1HD2 ASN 12 2.877 0.115 -2.965 70 HD22 ASN 12 2HD2 ASN 12 3.227 1.410 -4.002 71 HA PRO 13 HA PRO 13 4.991 -1.087 3.501 72 HB2 PRO 13 2HB PRO 13 7.634 -1.798 3.555 73 HB3 PRO 13 1HB PRO 13 6.342 -2.907 3.051 74 HG2 PRO 13 2HG PRO 13 8.208 -1.290 1.377 75 HG3 PRO 13 1HG PRO 13 7.659 -2.959 1.151 76 HD2 PRO 13 2HD PRO 13 6.634 -0.878 -0.252 77 HD3 PRO 13 1HD PRO 13 5.669 -2.307 0.185 78 H GLN 14 H GLN 14 7.236 0.943 1.661 79 HA GLN 14 HA GLN 14 8.068 2.352 4.143 80 HB2 GLN 14 2HB GLN 14 9.185 3.628 1.876 81 HB3 GLN 14 1HB GLN 14 9.998 2.557 3.007 82 HG2 GLN 14 2HG GLN 14 10.393 1.584 0.893 83 HG3 GLN 14 1HG GLN 14 9.073 0.624 1.554 84 HE21 GLN 14 1HE2 GLN 14 9.796 3.278 -0.721 85 HE22 GLN 14 2HE2 GLN 14 8.371 3.115 -1.626 86 H ILE 15 H ILE 15 5.657 2.635 1.781 87 HA ILE 15 HA ILE 15 5.418 5.583 2.168 88 HB ILE 15 HB ILE 15 3.877 3.820 0.247 89 HG12 ILE 15 2HG1 ILE 15 6.276 3.414 -0.130 90 HG13 ILE 15 1HG1 ILE 15 5.594 4.364 -1.449 91 HG21 ILE 15 1HG2 ILE 15 3.581 6.463 0.877 92 HG22 ILE 15 2HG2 ILE 15 3.165 5.772 -0.690 93 HG23 ILE 15 3HG2 ILE 15 4.721 6.567 -0.463 94 HD11 ILE 15 3HD1 ILE 15 6.424 6.444 -0.293 95 HD12 ILE 15 1HD1 ILE 15 7.714 5.360 -0.817 96 HD13 ILE 15 2HD1 ILE 15 7.239 5.406 0.882 97 H CYS 16 H CYS 16 3.659 2.506 2.498 98 HA CYS 16 HA CYS 16 1.539 3.945 4.059 99 HB2 CYS 16 2HB CYS 16 1.160 2.644 1.782 100 HB3 CYS 16 1HB CYS 16 1.220 1.220 2.820 101 HN1 NH2 17 HN1 NH2 17 3.585 3.480 5.727 102 HN2 NH2 17 HN2 NH2 17 3.442 2.029 6.595 Start of MODEL 18 1 H1 GLY 1 1HT GLY 1 -5.586 7.621 -4.074 2 H2 GLY 1 2HT GLY 1 -7.005 7.794 -3.167 3 H3 GLY 1 3HT GLY 1 -6.633 6.308 -3.896 4 HA2 GLY 1 2HA GLY 1 -4.731 7.448 -1.976 5 HA3 GLY 1 1HA GLY 1 -6.194 6.668 -1.372 6 H CYS 2 H CYS 2 -3.316 5.765 -1.277 7 HA CYS 2 HA CYS 2 -3.505 3.252 -2.886 8 HB2 CYS 2 2HB CYS 2 -1.522 5.012 -2.787 9 HB3 CYS 2 1HB CYS 2 -1.094 4.106 -1.342 10 H CYS 3 H CYS 3 -2.713 4.386 0.380 11 HA CYS 3 HA CYS 3 -2.328 1.918 1.680 12 HB2 CYS 3 2HB CYS 3 -2.722 4.655 2.343 13 HB3 CYS 3 1HB CYS 3 -3.818 3.721 3.361 14 H SER 4 H SER 4 -5.372 3.403 0.668 15 HA SER 4 HA SER 4 -7.146 1.767 2.230 16 HB2 SER 4 2HB SER 4 -7.646 2.975 -0.509 17 HB3 SER 4 1HB SER 4 -8.827 2.669 0.761 18 HG SER 4 HG SER 4 -8.396 4.696 1.223 19 H ASN 5 H ASN 5 -5.272 1.155 -0.663 20 HA ASN 5 HA ASN 5 -6.830 -1.268 -1.364 21 HB2 ASN 5 2HB ASN 5 -5.766 0.360 -3.033 22 HB3 ASN 5 1HB ASN 5 -4.197 -0.251 -2.495 23 HD21 ASN 5 1HD2 ASN 5 -4.224 -0.900 -4.956 24 HD22 ASN 5 2HD2 ASN 5 -4.836 -2.444 -5.309 25 HA PRO 6 HA PRO 6 -4.249 -3.522 1.523 26 HB2 PRO 6 2HB PRO 6 -5.100 -6.036 0.758 27 HB3 PRO 6 1HB PRO 6 -6.002 -4.989 1.877 28 HG2 PRO 6 2HG PRO 6 -6.390 -5.407 -1.060 29 HG3 PRO 6 1HG PRO 6 -7.600 -5.314 0.230 30 HD2 PRO 6 2HD PRO 6 -7.135 -3.208 -1.359 31 HD3 PRO 6 1HD PRO 6 -7.478 -2.989 0.376 32 H ALA 7 H ALA 7 -4.547 -4.263 -1.939 33 HA ALA 7 HA ALA 7 -2.149 -5.814 -2.211 34 HB1 ALA 7 1HB ALA 7 -4.230 -5.030 -3.809 35 HB2 ALA 7 2HB ALA 7 -2.734 -5.725 -4.434 36 HB3 ALA 7 3HB ALA 7 -2.945 -3.975 -4.402 37 H CYS 8 H CYS 8 -2.778 -2.295 -2.367 38 HA CYS 8 HA CYS 8 -0.005 -1.638 -2.969 39 HB2 CYS 8 2HB CYS 8 -1.604 -0.056 -3.693 40 HB3 CYS 8 1HB CYS 8 -2.476 -0.108 -2.162 41 H MET 9 H MET 9 -2.063 -1.451 -0.060 42 HA MET 9 HA MET 9 -0.316 -0.322 1.794 43 HB2 MET 9 2HB MET 9 -2.769 -1.553 1.794 44 HB3 MET 9 1HB MET 9 -1.811 -2.692 2.738 45 HG2 MET 9 2HG MET 9 -0.983 -0.607 4.042 46 HG3 MET 9 1HG MET 9 -2.354 0.225 3.306 47 HE1 MET 9 3HE MET 9 -1.397 -3.147 4.566 48 HE2 MET 9 1HE MET 9 -2.561 -3.595 5.819 49 HE3 MET 9 2HE MET 9 -1.301 -2.417 6.164 50 H VAL 10 H VAL 10 -0.556 -3.803 1.008 51 HA VAL 10 HA VAL 10 1.675 -4.501 2.750 52 HB VAL 10 HB VAL 10 -0.314 -5.935 2.192 53 HG11 VAL 10 1HG1 VAL 10 0.188 -5.253 -0.407 54 HG12 VAL 10 2HG1 VAL 10 -0.785 -6.637 0.079 55 HG13 VAL 10 3HG1 VAL 10 0.914 -6.860 -0.331 56 HG21 VAL 10 3HG2 VAL 10 1.941 -7.569 1.215 57 HG22 VAL 10 1HG2 VAL 10 0.913 -7.802 2.629 58 HG23 VAL 10 2HG2 VAL 10 2.275 -6.681 2.703 59 H ASN 11 H ASN 11 1.409 -3.714 -0.694 60 HA ASN 11 HA ASN 11 4.113 -4.763 -1.258 61 HB2 ASN 11 2HB ASN 11 1.741 -4.004 -2.700 62 HB3 ASN 11 1HB ASN 11 3.129 -3.160 -3.372 63 HD21 ASN 11 1HD2 ASN 11 1.454 -6.101 -3.473 64 HD22 ASN 11 2HD2 ASN 11 2.669 -7.047 -4.179 65 H ASN 12 H ASN 12 2.661 -1.658 -0.439 66 HA ASN 12 HA ASN 12 5.264 -0.325 -1.106 67 HB2 ASN 12 2HB ASN 12 2.374 0.443 -1.198 68 HB3 ASN 12 1HB ASN 12 3.561 1.710 -0.895 69 HD21 ASN 12 1HD2 ASN 12 2.296 -0.484 -3.304 70 HD22 ASN 12 2HD2 ASN 12 3.244 0.070 -4.597 71 HA PRO 13 HA PRO 13 5.040 -0.348 3.532 72 HB2 PRO 13 2HB PRO 13 7.777 -0.396 3.820 73 HB3 PRO 13 1HB PRO 13 6.788 -1.863 3.653 74 HG2 PRO 13 2HG PRO 13 8.344 -0.388 1.561 75 HG3 PRO 13 1HG PRO 13 8.246 -2.132 1.867 76 HD2 PRO 13 2HD PRO 13 6.829 -1.011 -0.105 77 HD3 PRO 13 1HD PRO 13 6.152 -2.328 0.882 78 H GLN 14 H GLN 14 6.836 1.494 1.145 79 HA GLN 14 HA GLN 14 7.670 3.705 2.780 80 HB2 GLN 14 2HB GLN 14 8.697 3.387 0.653 81 HB3 GLN 14 1HB GLN 14 7.142 3.216 -0.156 82 HG2 GLN 14 2HG GLN 14 6.968 5.760 0.923 83 HG3 GLN 14 1HG GLN 14 8.670 5.647 0.473 84 HE21 GLN 14 1HE2 GLN 14 8.421 3.923 -1.824 85 HE22 GLN 14 2HE2 GLN 14 7.581 4.777 -3.026 86 H ILE 15 H ILE 15 4.799 3.041 0.858 87 HA ILE 15 HA ILE 15 3.498 5.587 1.530 88 HB ILE 15 HB ILE 15 2.647 3.044 0.103 89 HG12 ILE 15 2HG1 ILE 15 4.396 4.682 -0.885 90 HG13 ILE 15 1HG1 ILE 15 3.021 4.259 -1.905 91 HG21 ILE 15 1HG2 ILE 15 1.129 5.539 0.801 92 HG22 ILE 15 2HG2 ILE 15 0.569 3.866 0.784 93 HG23 ILE 15 3HG2 ILE 15 0.797 4.735 -0.733 94 HD11 ILE 15 3HD1 ILE 15 1.907 6.328 -1.393 95 HD12 ILE 15 1HD1 ILE 15 3.570 6.738 -1.813 96 HD13 ILE 15 2HD1 ILE 15 3.070 6.706 -0.124 97 H CYS 16 H CYS 16 3.152 2.143 2.415 98 HA CYS 16 HA CYS 16 1.492 3.005 4.759 99 HB2 CYS 16 2HB CYS 16 1.298 0.487 3.069 100 HB3 CYS 16 1HB CYS 16 0.263 0.885 4.441 101 HN1 NH2 17 HN1 NH2 17 3.073 2.827 6.436 102 HN2 NH2 17 HN2 NH2 17 3.997 1.431 6.718 Start of MODEL 19 1 H1 GLY 1 1HT GLY 1 -7.908 6.343 -2.072 2 H2 GLY 1 2HT GLY 1 -6.450 6.706 -1.286 3 H3 GLY 1 3HT GLY 1 -7.089 5.130 -1.210 4 HA2 GLY 1 2HA GLY 1 -6.905 5.473 -3.856 5 HA3 GLY 1 1HA GLY 1 -5.529 6.421 -3.286 6 H CYS 2 H CYS 2 -3.691 5.154 -3.324 7 HA CYS 2 HA CYS 2 -3.795 2.269 -3.313 8 HB2 CYS 2 2HB CYS 2 -1.932 4.309 -3.836 9 HB3 CYS 2 1HB CYS 2 -1.264 3.420 -2.472 10 H CYS 3 H CYS 3 -2.992 4.668 -0.826 11 HA CYS 3 HA CYS 3 -2.187 2.954 1.260 12 HB2 CYS 3 2HB CYS 3 -3.097 5.680 0.904 13 HB3 CYS 3 1HB CYS 3 -3.734 5.017 2.409 14 H SER 4 H SER 4 -5.501 3.777 0.211 15 HA SER 4 HA SER 4 -6.794 2.370 2.418 16 HB2 SER 4 2HB SER 4 -8.745 2.634 0.607 17 HB3 SER 4 1HB SER 4 -8.141 4.022 1.505 18 HG SER 4 HG SER 4 -7.571 3.200 -1.147 19 H ASN 5 H ASN 5 -5.087 1.206 -0.236 20 HA ASN 5 HA ASN 5 -6.795 -1.233 -0.519 21 HB2 ASN 5 2HB ASN 5 -6.211 0.132 -2.530 22 HB3 ASN 5 1HB ASN 5 -4.502 -0.147 -2.194 23 HD21 ASN 5 1HD2 ASN 5 -5.659 -1.016 -4.657 24 HD22 ASN 5 2HD2 ASN 5 -5.697 -2.714 -4.671 25 HA PRO 6 HA PRO 6 -3.696 -3.184 2.052 26 HB2 PRO 6 2HB PRO 6 -4.483 -5.780 1.579 27 HB3 PRO 6 1HB PRO 6 -5.304 -4.698 2.724 28 HG2 PRO 6 2HG PRO 6 -6.027 -5.341 -0.104 29 HG3 PRO 6 1HG PRO 6 -7.070 -5.230 1.324 30 HD2 PRO 6 2HD PRO 6 -6.937 -3.220 -0.440 31 HD3 PRO 6 1HD PRO 6 -7.077 -2.901 1.305 32 H ALA 7 H ALA 7 -4.429 -4.242 -1.286 33 HA ALA 7 HA ALA 7 -1.985 -5.649 -1.813 34 HB1 ALA 7 1HB ALA 7 -2.751 -4.271 -4.154 35 HB2 ALA 7 2HB ALA 7 -4.249 -4.518 -3.258 36 HB3 ALA 7 3HB ALA 7 -3.246 -5.899 -3.691 37 H CYS 8 H CYS 8 -2.892 -2.214 -2.096 38 HA CYS 8 HA CYS 8 -0.371 -1.242 -3.064 39 HB2 CYS 8 2HB CYS 8 -2.754 -0.139 -1.601 40 HB3 CYS 8 1HB CYS 8 -1.340 0.880 -1.832 41 H MET 9 H MET 9 -1.758 -1.572 0.216 42 HA MET 9 HA MET 9 0.368 -0.470 1.728 43 HB2 MET 9 2HB MET 9 -1.764 -2.556 2.165 44 HB3 MET 9 1HB MET 9 -0.633 -2.153 3.448 45 HG2 MET 9 2HG MET 9 -1.555 -0.093 3.806 46 HG3 MET 9 1HG MET 9 -1.883 0.163 2.091 47 HE1 MET 9 3HE MET 9 -3.746 -1.640 5.475 48 HE2 MET 9 1HE MET 9 -2.366 -2.379 4.653 49 HE3 MET 9 2HE MET 9 -3.981 -3.036 4.431 50 H VAL 10 H VAL 10 -0.189 -3.854 0.710 51 HA VAL 10 HA VAL 10 2.200 -4.920 1.921 52 HB VAL 10 HB VAL 10 0.495 -5.849 -0.426 53 HG11 VAL 10 1HG1 VAL 10 1.503 -8.117 0.646 54 HG12 VAL 10 2HG1 VAL 10 2.851 -7.021 0.962 55 HG13 VAL 10 3HG1 VAL 10 2.278 -7.263 -0.691 56 HG21 VAL 10 3HG2 VAL 10 -0.696 -7.185 1.188 57 HG22 VAL 10 1HG2 VAL 10 -0.634 -5.543 1.832 58 HG23 VAL 10 2HG2 VAL 10 0.461 -6.778 2.462 59 H ASN 11 H ASN 11 1.500 -3.629 -1.328 60 HA ASN 11 HA ASN 11 4.172 -4.239 -2.355 61 HB2 ASN 11 2HB ASN 11 1.723 -2.745 -3.277 62 HB3 ASN 11 1HB ASN 11 3.220 -2.638 -4.196 63 HD21 ASN 11 1HD2 ASN 11 0.432 -4.558 -3.689 64 HD22 ASN 11 2HD2 ASN 11 0.951 -5.936 -4.534 65 H ASN 12 H ASN 12 2.656 -1.495 -0.735 66 HA ASN 12 HA ASN 12 5.245 0.006 -1.007 67 HB2 ASN 12 2HB ASN 12 2.447 0.685 -1.711 68 HB3 ASN 12 1HB ASN 12 3.329 1.954 -0.864 69 HD21 ASN 12 1HD2 ASN 12 3.344 -0.064 -3.797 70 HD22 ASN 12 2HD2 ASN 12 4.418 0.918 -4.662 71 HA PRO 13 HA PRO 13 3.651 -0.377 3.428 72 HB2 PRO 13 2HB PRO 13 5.896 -1.584 4.453 73 HB3 PRO 13 1HB PRO 13 4.507 -2.493 3.818 74 HG2 PRO 13 2HG PRO 13 7.104 -1.841 2.510 75 HG3 PRO 13 1HG PRO 13 6.175 -3.347 2.474 76 HD2 PRO 13 2HD PRO 13 6.160 -1.587 0.421 77 HD3 PRO 13 1HD PRO 13 4.742 -2.584 0.829 78 H GLN 14 H GLN 14 6.739 0.554 1.959 79 HA GLN 14 HA GLN 14 7.840 2.084 4.091 80 HB2 GLN 14 2HB GLN 14 9.105 3.195 2.263 81 HB3 GLN 14 1HB GLN 14 9.061 1.446 2.067 82 HG2 GLN 14 2HG GLN 14 6.807 2.819 0.766 83 HG3 GLN 14 1HG GLN 14 8.380 3.282 0.119 84 HE21 GLN 14 1HE2 GLN 14 8.635 2.025 -1.758 85 HE22 GLN 14 2HE2 GLN 14 8.399 0.343 -1.826 86 H ILE 15 H ILE 15 5.188 2.812 1.955 87 HA ILE 15 HA ILE 15 5.039 5.578 3.105 88 HB ILE 15 HB ILE 15 3.986 4.499 0.463 89 HG12 ILE 15 2HG1 ILE 15 6.454 4.605 0.496 90 HG13 ILE 15 1HG1 ILE 15 5.793 5.863 -0.541 91 HG21 ILE 15 1HG2 ILE 15 3.816 7.123 1.875 92 HG22 ILE 15 2HG2 ILE 15 2.623 6.319 0.855 93 HG23 ILE 15 3HG2 ILE 15 4.002 7.141 0.120 94 HD11 ILE 15 3HD1 ILE 15 5.864 7.244 1.768 95 HD12 ILE 15 1HD1 ILE 15 7.238 7.181 0.664 96 HD13 ILE 15 2HD1 ILE 15 7.190 6.121 2.075 97 H CYS 16 H CYS 16 3.061 2.834 1.904 98 HA CYS 16 HA CYS 16 0.829 3.749 3.685 99 HB2 CYS 16 2HB CYS 16 0.998 2.115 1.142 100 HB3 CYS 16 1HB CYS 16 -0.461 2.146 2.133 101 HN1 NH2 17 HN1 NH2 17 2.818 2.468 5.119 102 HN2 NH2 17 HN2 NH2 17 2.378 0.868 5.474 Start of MODEL 20 1 H1 GLY 1 1HT GLY 1 -7.155 5.439 -0.446 2 H2 GLY 1 2HT GLY 1 -7.602 5.862 -2.027 3 H3 GLY 1 3HT GLY 1 -7.540 7.047 -0.820 4 HA2 GLY 1 2HA GLY 1 -5.626 6.991 -2.438 5 HA3 GLY 1 1HA GLY 1 -5.234 7.025 -0.722 6 H CYS 2 H CYS 2 -3.165 6.030 -1.769 7 HA CYS 2 HA CYS 2 -3.129 3.380 -2.802 8 HB2 CYS 2 2HB CYS 2 -1.276 5.241 -2.463 9 HB3 CYS 2 1HB CYS 2 -0.976 4.364 -0.969 10 H CYS 3 H CYS 3 -2.796 4.502 0.537 11 HA CYS 3 HA CYS 3 -2.473 1.993 1.813 12 HB2 CYS 3 2HB CYS 3 -3.936 4.477 2.753 13 HB3 CYS 3 1HB CYS 3 -3.360 3.187 3.801 14 H SER 4 H SER 4 -5.388 3.465 0.461 15 HA SER 4 HA SER 4 -7.331 1.814 1.805 16 HB2 SER 4 2HB SER 4 -7.598 2.893 -0.996 17 HB3 SER 4 1HB SER 4 -8.816 2.811 0.264 18 HG SER 4 HG SER 4 -7.542 4.381 1.426 19 H ASN 5 H ASN 5 -5.078 1.196 -0.791 20 HA ASN 5 HA ASN 5 -6.554 -1.203 -1.742 21 HB2 ASN 5 2HB ASN 5 -5.411 0.472 -3.261 22 HB3 ASN 5 1HB ASN 5 -3.872 -0.023 -2.554 23 HD21 ASN 5 1HD2 ASN 5 -4.244 -0.400 -5.313 24 HD22 ASN 5 2HD2 ASN 5 -4.396 -2.057 -5.642 25 HA PRO 6 HA PRO 6 -4.168 -3.598 1.195 26 HB2 PRO 6 2HB PRO 6 -4.817 -6.081 0.184 27 HB3 PRO 6 1HB PRO 6 -5.893 -5.145 1.249 28 HG2 PRO 6 2HG PRO 6 -5.921 -5.383 -1.732 29 HG3 PRO 6 1HG PRO 6 -7.274 -5.414 -0.588 30 HD2 PRO 6 2HD PRO 6 -6.698 -3.206 -1.996 31 HD3 PRO 6 1HD PRO 6 -7.287 -3.114 -0.319 32 H ALA 7 H ALA 7 -4.105 -4.141 -2.332 33 HA ALA 7 HA ALA 7 -1.628 -5.568 -2.484 34 HB1 ALA 7 1HB ALA 7 -2.002 -5.313 -4.724 35 HB2 ALA 7 2HB ALA 7 -2.131 -3.560 -4.583 36 HB3 ALA 7 3HB ALA 7 -3.528 -4.576 -4.232 37 H CYS 8 H CYS 8 -2.362 -2.068 -2.473 38 HA CYS 8 HA CYS 8 0.392 -1.208 -2.676 39 HB2 CYS 8 2HB CYS 8 -1.365 0.314 -3.301 40 HB3 CYS 8 1HB CYS 8 -2.175 0.110 -1.750 41 H MET 9 H MET 9 -1.876 -1.537 0.094 42 HA MET 9 HA MET 9 -0.153 -0.652 2.156 43 HB2 MET 9 2HB MET 9 -2.481 -2.542 1.903 44 HB3 MET 9 1HB MET 9 -1.683 -2.345 3.457 45 HG2 MET 9 2HG MET 9 -2.537 0.064 1.885 46 HG3 MET 9 1HG MET 9 -3.694 -0.799 2.900 47 HE1 MET 9 3HE MET 9 -3.606 0.113 5.966 48 HE2 MET 9 1HE MET 9 -2.343 -1.107 6.156 49 HE3 MET 9 2HE MET 9 -3.620 -1.336 4.959 50 H VAL 10 H VAL 10 -0.523 -3.922 0.765 51 HA VAL 10 HA VAL 10 1.447 -5.043 2.622 52 HB VAL 10 HB VAL 10 0.082 -6.174 0.156 53 HG11 VAL 10 1HG1 VAL 10 1.834 -7.668 0.561 54 HG12 VAL 10 2HG1 VAL 10 0.545 -8.341 1.555 55 HG13 VAL 10 3HG1 VAL 10 1.814 -7.373 2.301 56 HG21 VAL 10 3HG2 VAL 10 -0.632 -6.220 3.102 57 HG22 VAL 10 1HG2 VAL 10 -1.382 -7.266 1.900 58 HG23 VAL 10 2HG2 VAL 10 -1.574 -5.522 1.789 59 H ASN 11 H ASN 11 1.416 -4.306 -0.913 60 HA ASN 11 HA ASN 11 4.249 -5.140 -1.099 61 HB2 ASN 11 2HB ASN 11 1.990 -4.554 -2.891 62 HB3 ASN 11 1HB ASN 11 3.552 -4.052 -3.527 63 HD21 ASN 11 1HD2 ASN 11 1.513 -6.637 -3.610 64 HD22 ASN 11 2HD2 ASN 11 2.644 -7.892 -3.758 65 H ASN 12 H ASN 12 2.595 -2.182 -0.444 66 HA ASN 12 HA ASN 12 5.105 -0.671 -1.090 67 HB2 ASN 12 2HB ASN 12 2.249 -0.237 -1.801 68 HB3 ASN 12 1HB ASN 12 3.161 1.196 -1.343 69 HD21 ASN 12 1HD2 ASN 12 2.945 -1.400 -3.752 70 HD22 ASN 12 2HD2 ASN 12 4.027 -0.701 -4.852 71 HA PRO 13 HA PRO 13 3.754 -0.223 3.388 72 HB2 PRO 13 2HB PRO 13 6.205 -0.867 4.448 73 HB3 PRO 13 1HB PRO 13 4.929 -2.066 4.137 74 HG2 PRO 13 2HG PRO 13 7.332 -1.381 2.489 75 HG3 PRO 13 1HG PRO 13 6.638 -2.968 2.870 76 HD2 PRO 13 2HD PRO 13 6.222 -1.760 0.500 77 HD3 PRO 13 1HD PRO 13 4.988 -2.787 1.265 78 H GLN 14 H GLN 14 6.553 0.784 1.491 79 HA GLN 14 HA GLN 14 7.479 2.928 3.154 80 HB2 GLN 14 2HB GLN 14 7.500 2.769 0.120 81 HB3 GLN 14 1HB GLN 14 8.635 3.647 1.142 82 HG2 GLN 14 2HG GLN 14 9.946 1.816 1.065 83 HG3 GLN 14 1HG GLN 14 8.753 1.026 2.096 84 HE21 GLN 14 1HE2 GLN 14 9.070 1.830 -1.430 85 HE22 GLN 14 2HE2 GLN 14 8.457 0.339 -1.964 86 H ILE 15 H ILE 15 4.920 2.693 0.763 87 HA ILE 15 HA ILE 15 4.336 5.512 0.531 88 HB ILE 15 HB ILE 15 2.692 2.989 0.112 89 HG12 ILE 15 2HG1 ILE 15 4.879 3.451 -1.231 90 HG13 ILE 15 1HG1 ILE 15 3.425 3.044 -2.139 91 HG21 ILE 15 1HG2 ILE 15 1.654 4.861 -1.587 92 HG22 ILE 15 2HG2 ILE 15 2.046 5.856 -0.183 93 HG23 ILE 15 3HG2 ILE 15 0.965 4.472 -0.009 94 HD11 ILE 15 3HD1 ILE 15 4.845 5.100 -2.910 95 HD12 ILE 15 1HD1 ILE 15 4.082 5.928 -1.547 96 HD13 ILE 15 2HD1 ILE 15 3.089 5.263 -2.847 97 H CYS 16 H CYS 16 2.816 2.873 2.418 98 HA CYS 16 HA CYS 16 1.333 4.882 4.042 99 HB2 CYS 16 2HB CYS 16 1.246 1.846 3.943 100 HB3 CYS 16 1HB CYS 16 0.129 2.875 4.837 101 HN1 NH2 17 HN1 NH2 17 3.754 5.399 4.892 102 HN2 NH2 17 HN2 NH2 17 4.224 4.525 6.269