REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 13-MAR-07 2UVP COMPND HOBA; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES; COMPND 5 OTHER_DETAILS: FOUR CALCIUM ATOMS IN THE STRUCTURE; COMPND 6 MOL_ID: 2; COMPND 7 MOLECULE: HOBA; COMPND 8 CHAIN: B, C, D; COMPND 9 ENGINEERED: YES; COMPND 10 OTHER_DETAILS: FOUR CALCIUM ATOMS IN THE STRUCTURE SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 3 ORGANISM_TAXID: 210; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21 STAR PLYSS; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PPROEX-HTC; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PPHP1230; SOURCE 9 OTHER_DETAILS: BACTERIA THAT IS FOUND IN THE GUT. AFFECTS SOURCE 10 AROUND A THIRD OF THE WORLD'S POPULATION AND IS A LEADING SOURCE 11 CAUSE OF ULCERS AND GASTRITIS; SOURCE 12 MOL_ID: 2; SOURCE 13 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; SOURCE 14 ORGANISM_TAXID: 210; SOURCE 15 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 16 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 17 EXPRESSION_SYSTEM_STRAIN: BL21 STAR PLYSS; SOURCE 18 EXPRESSION_SYSTEM_VECTOR_TYPE: PPROEX-HTC; SOURCE 19 EXPRESSION_SYSTEM_PLASMID: PPHP1230; SOURCE 20 OTHER_DETAILS: BACTERIA THAT IS FOUND IN THE GUT. AFFECTS SOURCE 21 AROUND A THIRD OF THE WORLD'S POPULATION AND IS A LEADING SOURCE 22 CAUSE OF ULCERS AND GASTRITIS AUTHOR L.TERRADOT,G.NATRAJAN,A.C.THOMPSON,D.R.HALL HET CA C1181 1 HET CA B1181 1 HET CA C1182 1 HET ACT A1181 4 HET GOL D1181 6 HET ACT C1183 4 HET ACT A1182 4 HET CA C1184 1 HET GOL B1182 6 HET CA B1183 1 SITE 1 AC1 6 GLU C 17 ASN C 176 HOH C2224 HOH C2225 SITE 1 AC2 6 GLU A 27 HOH A2043 GLU B 17 ASN B 176 SITE 1 AC3 6 GLU C 17 ASN C 176 HOH C2224 HOH C2225 SITE 1 AC4 6 ILE A 19 GLN A 22 SER A 23 TRP A 25 SITE 1 AC5 8 ILE D 19 GLN D 22 SER D 23 TRP D 25 SITE 1 AC6 8 ILE B 83 TYR B 107 HOH B2124 ILE C 83 SITE 1 AC7 7 ILE A 83 TYR A 107 HOH A2107 HOH A2190 SITE 1 AC8 5 GLU B 140 GLU C 140 GLU C 143 HOH C2184 SITE 1 AC9 7 TRP B 25 GLU B 29 ARG B 30 TYR B 33 SITE 1 BC1 6 GLU B 140 GLU B 143 HOH B2197 GLU C 140 >MET.A 1 -72.10 26.74 -5.53 -73.95 25.49 -2.12 -73.02 26.11 -3.82 2 0 6.26 -999 ? CA CA B1181 >LYS^A 2 -70.83 25.29 -8.78 -66.22 27.65 -9.14 -68.53 26.47 -8.96 2 0 14.71 -999 ? CA CA B1181 >ASN^A 3 -72.70 21.43 -11.05 -73.07 19.35 -11.09 -72.89 20.39 -11.07 2 0 12.04 -999 ? CA CA B1181 >PHE~A 4 -68.73 16.96 -7.75 -66.64 15.21 -7.29 -67.68 16.08 -7.52 3 0 11.12 -999 ? CA CA B1181 >TYR~A 5 -70.28 15.77 -12.22 -70.83 13.52 -10.65 -70.56 14.65 -11.43 3 0 13.40 -999 ? O1 GOL B1182 >ASP~A 6 -69.29 22.53 -13.68 -71.00 22.18 -14.88 -70.15 22.36 -14.28 2 0 16.17 -999 ? CA CA B1181 >TRP~A 7 -64.51 23.48 -8.12 -63.01 20.07 -6.83 -63.76 21.77 -7.48 3 0 13.17 -999 ? CA CA B1181 >ILE~A 8 -64.37 17.61 -10.70 -64.31 16.23 -10.64 -64.34 16.92 -10.67 3 0 11.09 -999 ? C1 GOL B1182 >LYS~A 9 -63.23 19.50 -14.81 -65.35 21.15 -20.54 -64.29 20.33 -17.68 2 0 15.21 -999 ? O1 GOL B1182 >GLU~A 10 -63.89 24.62 -14.30 -65.11 25.98 -13.14 -64.50 25.30 -13.72 2 0 17.55 -999 ? CA CA B1181 >PHE~A 11 -59.46 20.91 -8.75 -57.53 20.52 -6.75 -58.49 20.72 -7.75 3 0 14.32 -999 ? C1 GOL B1182 >ILE~A 12 -59.01 17.82 -13.67 -58.26 16.78 -13.10 -58.64 17.30 -13.38 3 0 9.30 -999 ? C1 GOL B1182 >ARG~A 13 -58.47 23.67 -18.83 -59.87 25.50 -16.74 -59.17 24.58 -17.78 2 0 17.46 -999 ? CH3 ACT A1181 >ASP~A 14 -56.57 24.69 -12.57 -57.85 26.13 -13.49 -57.21 25.41 -13.03 2 0 14.99 -999 ? CH3 ACT A1181 >GLN~A 15 -53.85 19.12 -9.94 -54.79 17.30 -9.37 -54.32 18.21 -9.66 2 0 11.07 -999 ? C3 GOL B1182 >GLY~A 16 -52.14 19.77 -14.51 -52.26 20.60 -14.34 -52.20 20.18 -14.43 1 0 8.84 -999 ? CH3 ACT A1181 >GLU~A 17 -53.17 23.87 -17.57 -54.60 25.28 -18.31 -53.89 24.57 -17.94 2 0 13.61 -999 ? CH3 ACT A1181 >PHE~A 18 -49.53 25.29 -10.30 -47.93 26.67 -8.41 -48.73 25.98 -9.36 3 0 7.18 -999 ? CH3 ACT A1181 >ILE~A 19 -48.23 19.59 -12.57 -48.43 18.31 -12.08 -48.33 18.95 -12.33 3 0 -4.78 -999 ? CH3 ACT A1181s >ALA~A 20 -46.52 21.79 -16.07 -47.44 21.93 -17.26 -46.98 21.86 -16.66 2 0 7.25 -999 ? CH3 ACT A1181 >GLN~A 21 -46.14 27.82 -14.56 -47.41 29.11 -13.48 -46.77 28.47 -14.02 2 0 9.37 -999 ? CH3 ACT A1181 >GLN~A 22 -45.00 25.67 -10.53 -43.78 27.45 -10.62 -44.39 26.56 -10.57 2 0 -6.74 -999 ? CH3 ACT A1181s >SER~A 23 -42.07 21.42 -13.85 -42.41 21.34 -16.27 -42.24 21.38 -15.06 2 0 -5.63 -999 ? CH3 ACT A1181s >GLY~A 24 -38.70 23.07 -14.67 -39.06 23.24 -13.96 -38.88 23.15 -14.32 1 0 6.98 -999 ? CH3 ACT A1181 >TRP~A 25 -39.57 21.42 -9.88 -37.14 20.90 -6.80 -38.36 21.16 -8.34 3 0 -4.63 -999 ? O ACT A1181s >LEU~A 26 -35.11 20.39 -10.59 -34.03 19.20 -9.13 -34.57 19.79 -9.86 3 0 8.46 -999 ? O ACT A1181 >GLU~A 27 -34.14 22.58 -15.68 -34.47 22.99 -17.72 -34.31 22.78 -16.70 2 0 -12.01 -999 ? CH3 ACT A1181s >LEU~A 28 -34.70 27.68 -11.63 -35.42 28.80 -13.35 -35.06 28.24 -12.49 3 0 11.55 -999 ? O ACT A1181 >GLU~A 29 -32.63 23.57 -6.21 -33.51 24.93 -4.84 -33.07 24.25 -5.53 2 0 11.10 -999 ? O ACT A1181 >ARG.A 30 -29.59 28.63 -9.22 -30.43 28.64 -12.20 -30.01 28.63 -10.71 2 0 15.23 -999 ? O ACT A1181 >SER.A 31 -28.88 24.94 -3.50 -30.71 23.40 -2.97 -29.80 24.17 -3.24 2 0 13.84 -999 ? O ACT A1181 >SER~A 32 -26.00 22.49 -3.90 -24.16 23.96 -3.37 -25.08 23.22 -3.64 2 0 19.83 -999 ? O ACT A1181 >TYR~A 33 -29.65 19.68 -6.55 -29.87 20.32 -9.24 -29.76 20.00 -7.89 3 0 13.22 -999 ? O ACT A1181 >ALA~A 34 -25.61 17.94 -7.13 -25.09 18.62 -8.43 -25.35 18.28 -7.78 2 0 17.95 -999 ? O ACT A1181 >LYS~A 35 -22.68 18.18 -4.70 -20.35 22.35 -1.14 -21.52 20.27 -2.92 2 0 23.91 -999 ? O ACT A1181 >LEU~A 36 -25.97 17.47 -1.20 -25.68 19.48 -0.33 -25.83 18.48 -0.77 3 0 19.03 -999 ? O ACT A1181 >ILE~A 37 -26.81 13.98 -5.23 -27.97 13.65 -6.03 -27.39 13.82 -5.63 3 0 17.12 -999 ? OXT ACT A1181 >ALA~A 38 -22.35 13.14 -5.03 -21.40 14.08 -5.75 -21.87 13.61 -5.39 2 0 22.67 -999 ? OXT ACT A1181 >GLN~A 39 -20.25 15.54 -1.05 -20.17 17.31 0.14 -20.21 16.43 -0.46 2 0 23.73 -999 ? CH3 ACT A1182 >THR~A 40 -23.93 10.90 -0.33 -25.94 11.33 0.34 -24.93 11.12 0.00 2 0 17.59 -999 ? CH3 ACT A1182 >ILE~A 41 -23.18 8.76 -4.69 -23.67 8.57 -5.99 -23.42 8.66 -5.34 3 0 21.46 -999 ? CH3 ACT A1182 >SER~A 42 -19.46 8.46 -2.16 -18.17 10.05 -3.40 -18.81 9.25 -2.78 2 0 22.64 -999 ? CH3 ACT A1182 >HIS~A 43 -21.65 8.05 3.64 -22.04 7.30 5.57 -21.84 7.67 4.61 3 0 14.01 -999 ? CH3 ACT A1182 >VAL~A 44 -22.59 4.76 0.20 -24.62 4.47 -0.57 -23.60 4.62 -0.18 3 0 15.48 -999 ? CH3 ACT A1182 >LEU~A 45 -19.05 4.33 -3.11 -20.15 4.65 -4.98 -19.60 4.49 -4.04 3 0 20.56 -999 ? CH3 ACT A1182 >ASN~A 46 -16.92 5.08 1.56 -15.60 6.18 0.30 -16.26 5.63 0.93 2 0 20.18 -999 ? CH3 ACT A1182 >GLY.A 47 -19.56 1.31 2.99 -19.68 2.11 3.04 -19.62 1.71 3.01 1 0 14.54 -999 ? CH3 ACT A1182 >GLY.A 48 -21.38 4.08 4.86 -21.74 3.48 4.45 -21.56 3.78 4.66 1 0 12.55 -999 ? CH3 ACT A1182 >SER^A 49 -24.82 3.72 6.45 -24.44 3.87 8.86 -24.63 3.79 7.66 2 0 7.92 -999 ? CH3 ACT A1182 >LEU^A 50 -28.42 6.32 4.60 -27.60 7.24 2.85 -28.01 6.78 3.73 3 0 11.81 -999 ? CH3 ACT A1182 >LEU^A 51 -29.07 7.28 10.42 -27.57 6.02 11.41 -28.32 6.65 10.91 3 0 7.18 -999 ? CH3 ACT A1182 >VAL^A 52 -32.94 8.41 7.70 -33.51 7.90 5.60 -33.22 8.15 6.65 3 0 10.46 -999 ? OXT ACT A1182 >SER^A 53 -35.29 10.69 9.61 -33.77 12.39 10.51 -34.53 11.54 10.06 2 0 12.21 -999 ? OXT ACT A1182 >ALA^A 54 -38.22 13.01 8.71 -39.06 12.37 7.62 -38.64 12.69 8.17 2 0 15.02 -999 ? OXT ACT A1182 >ASP.A 55 -40.70 16.96 10.07 -41.68 17.42 8.23 -41.19 17.19 9.15 2 0 17.41 -999 ? O ACT A1181 >SER.A 56 -44.08 14.33 11.46 -44.92 16.36 12.58 -44.50 15.34 12.02 2 0 20.33 -999 ? OXT ACT A1182 >SER.A 57 -45.76 15.37 8.19 -46.87 17.43 8.67 -46.32 16.40 8.43 2 0 18.23 -999 ? O ACT A1181 >ARG~A 58 -43.27 15.99 4.53 -43.95 18.83 5.47 -43.61 17.41 5.00 2 0 14.46 -999 ? O ACT A1181 >HIS~A 59 -43.78 10.05 10.24 -43.35 10.65 12.21 -43.56 10.35 11.23 3 0 15.34 -999 ? OXT ACT A1182 >TRP~A 60 -46.08 11.97 3.88 -44.48 12.30 0.28 -45.28 12.13 2.08 3 0 14.03 -999 ? O ACT A1181 >PHE~A 61 -40.24 11.67 1.36 -38.20 12.01 -0.57 -39.22 11.84 0.40 3 0 13.18 -999 ? OXT ACT A1181 >LEU~A 62 -39.55 8.38 6.71 -38.08 7.45 8.12 -38.81 7.91 7.41 3 0 11.91 -999 ? OXT ACT A1182 >ASN~A 63 -42.85 5.00 4.60 -43.72 3.09 4.23 -43.29 4.05 4.41 2 0 15.00 -999 ? O ACT A1182 >TYR~A 64 -41.23 7.24 -1.52 -40.97 7.41 -4.31 -41.10 7.32 -2.91 3 0 13.66 -999 ? OXT ACT A1181 >ILE~A 65 -36.41 7.24 1.85 -35.53 8.33 2.09 -35.97 7.79 1.97 3 0 14.20 -999 ? O ACT A1182 >LEU~A 66 -37.36 2.64 4.22 -36.76 3.92 5.91 -37.06 3.28 5.06 3 0 9.96 -999 ? O ACT A1182 >SER~A 67 -39.02 0.91 0.50 -41.06 2.13 -0.03 -40.04 1.52 0.23 2 0 15.83 -999 ? O ACT A1182 >ASN~A 68 -37.69 3.73 -3.29 -39.63 4.05 -4.09 -38.66 3.89 -3.69 2 0 16.27 -999 ? OXT ACT A1181 >LEU~A 69 -33.16 2.72 -0.52 -32.21 4.66 -0.97 -32.68 3.69 -0.75 3 0 14.00 -999 ? O ACT A1182 >ASN~A 70 -33.93 -2.05 0.89 -31.84 -1.69 1.12 -32.89 -1.87 1.00 2 0 11.41 -999 ? O ACT A1182 >PRO.A 71 -36.18 -2.89 -4.28 -36.87 -2.69 -2.15 -36.53 -2.79 -3.22 3 0 16.51 -999 ? O ACT A1182 >LYS.A 72 -39.12 -6.30 -1.31 -44.22 -9.01 -0.49 -41.67 -7.66 -0.90 2 0 19.74 -999 ? O ACT A1182 >ASP.A 73 -38.43 -8.42 -5.54 -37.44 -9.76 -6.88 -37.93 -9.09 -6.21 2 0 22.06 -999 ? O ACT A1182 >LEU.A 74 -32.79 -7.15 -3.79 -32.17 -6.08 -2.01 -32.48 -6.61 -2.90 3 0 16.46 -999 ? O ACT A1182 >LYS.A 75 -33.45 -8.66 -7.93 -38.30 -6.69 -11.44 -35.87 -7.68 -9.69 2 0 21.85 -999 ? O3 GOL B1182 >GLU.A 76 -29.57 -9.56 -10.67 -29.13 -11.11 -9.28 -29.35 -10.34 -9.97 2 0 24.24 -999 ? O ACT A1182 >ARG.A 77 -32.84 -2.84 -6.53 -32.97 0.18 -5.99 -32.91 -1.33 -6.26 2 0 18.54 -999 ? O ACT A1182 >PRO.A 78 -26.63 -2.35 -4.29 -27.50 -4.42 -4.16 -27.07 -3.39 -4.23 3 0 17.57 -999 ? O ACT A1182 >LEU.A 79 -28.71 -5.67 0.97 -30.10 -5.92 2.65 -29.41 -5.79 1.81 3 0 12.03 -999 ? O ACT A1182 >LEU.A 80 -28.70 0.29 0.11 -28.24 0.92 -1.86 -28.47 0.61 -0.87 3 0 13.85 -999 ? O ACT A1182 >SER.A 81 -27.20 0.16 4.39 -25.70 0.48 6.25 -26.45 0.32 5.32 2 0 8.12 -999 ? CH3 ACT A1182 >VAL^A 82 -30.31 2.23 5.24 -31.41 3.04 3.49 -30.86 2.64 4.36 3 0 8.88 -999 ? O ACT A1182 >ILE^A 83 -30.77 2.73 9.81 -29.92 2.42 10.28 -30.35 2.58 10.05 3 0 -4.13 -999 ? CH3 ACT A1182s >ASP^A 84 -36.44 3.40 10.01 -38.05 4.61 10.68 -37.25 4.00 10.35 2 0 7.98 -999 ? OXT ACT A1182 >PHE.A 85 -32.11 8.47 13.22 -30.83 9.73 15.38 -31.47 9.10 14.30 3 0 8.27 -999 ? OXT ACT A1182 >ASN.A 86 -38.42 8.17 12.63 -38.52 10.18 11.86 -38.47 9.17 12.24 2 0 11.67 -999 ? OXT ACT A1182 >ALA.A 87 -37.93 4.41 14.70 -38.35 3.33 13.74 -38.14 3.87 14.22 2 0 6.96 -999 ? OXT ACT A1182 >SER.A 88 -34.67 3.69 16.47 -32.74 5.08 16.23 -33.70 4.38 16.35 2 0 4.86 -999 ? OXT ACT A1182 >SER.A 89 -34.05 3.70 20.21 -34.55 1.39 20.81 -34.30 2.54 20.51 2 0 7.33 -999 ? OXT ACT A1182 >PHE.A 90 -29.59 4.57 18.91 -28.81 1.88 19.12 -29.20 3.23 19.01 3 0 6.14 -999 ? OXT ACT A1182 >TYR.A 91 -35.52 10.03 17.00 -36.51 12.40 15.90 -36.01 11.22 16.45 3 0 11.44 -999 ? OXT ACT A1182 >PRO.A 92 -32.22 13.08 18.59 -33.09 11.49 19.92 -32.65 12.29 19.25 3 0 12.61 -999 ? OXT ACT A1182 >LYS.A 93 -36.14 12.80 22.42 -38.75 8.18 20.02 -37.44 10.49 21.22 2 0 11.72 -999 ? OXT ACT A1182 >ASN.A 94 -34.68 14.84 26.15 -33.66 16.63 26.68 -34.17 15.74 26.41 2 0 20.31 -999 ? OXT ACT A1182 >ASP~A 95 -30.02 14.86 26.58 -28.64 13.51 27.46 -29.33 14.19 27.02 2 0 18.75 -999 ? OXT ACT A1182 >ALA~A 96 -28.64 14.50 22.33 -28.62 15.76 21.46 -28.63 15.13 21.89 2 0 16.98 -999 ? OXT ACT A1182 >ASN~A 97 -24.46 14.50 24.96 -23.77 16.46 24.44 -24.11 15.48 24.70 2 0 20.44 -999 ? OXT ACT A1182 >LEU~A 98 -27.39 9.92 25.94 -26.97 9.12 27.93 -27.18 9.52 26.94 3 0 16.25 -999 ? OXT ACT A1182 >SER~A 99 -27.81 9.50 21.53 -30.13 10.20 21.65 -28.97 9.85 21.59 2 0 12.20 -999 ? OXT ACT A1182 >LEU~A 100 -24.18 12.19 19.74 -23.04 13.28 18.29 -23.61 12.74 19.02 3 0 15.28 -999 ? CH3 ACT A1182 >ALA~A 101 -22.27 8.71 21.69 -22.00 8.86 23.18 -22.14 8.78 22.43 2 0 15.42 -999 ? CH3 ACT A1182 >THR~A 102 -24.41 5.58 21.31 -25.97 4.66 22.51 -25.19 5.12 21.91 2 0 11.01 -999 ? OXT ACT A1182 >ILE~A 103 -25.45 7.39 16.89 -26.42 8.06 16.19 -25.93 7.72 16.54 3 0 9.23 -999 ? CH3 ACT A1182 >GLU~A 104 -20.64 9.26 17.21 -19.66 10.90 18.17 -20.15 10.08 17.69 2 0 15.66 -999 ? CH3 ACT A1182 >THR~A 106 -22.92 1.43 17.31 -24.99 1.20 17.89 -23.95 1.31 17.60 2 0 6.79 -999 ? CH3 ACT A1182 >TYR~A 107 -24.81 2.99 13.30 -27.48 2.42 13.94 -26.14 2.70 13.62 3 0 -4.55 -999 ? CH3 ACT A1182s >GLN.A 108 -18.52 -0.46 11.37 -17.51 -1.74 9.99 -18.01 -1.10 10.68 2 0 12.83 -999 ? CH3 ACT A1182 >ASN.A 109 -18.98 4.63 8.19 -18.49 6.24 6.88 -18.74 5.44 7.53 2 0 14.39 -999 ? CH3 ACT A1182 >PRO^A 110 -22.64 7.30 11.97 -22.53 6.46 9.88 -22.59 6.88 10.93 3 0 10.22 -999 ? CH3 ACT A1182 >MET^A 111 -24.57 9.65 7.75 -24.52 11.07 3.80 -24.55 10.36 5.77 2 0 15.46 -999 ? CH3 ACT A1182 >PHE^A 112 -27.44 11.88 11.25 -26.56 10.93 13.74 -27.00 11.41 12.49 3 0 11.72 -999 ? OXT ACT A1182 >TRP^A 113 -32.02 12.53 3.55 -32.27 9.72 0.81 -32.14 11.13 2.18 3 0 15.68 -999 ? OXT ACT A1182 >HIS^A 114 -33.97 15.61 9.27 -35.78 16.19 10.17 -34.88 15.90 9.72 3 0 15.94 -999 ? OXT ACT A1182 >VAL^A 115 -36.13 15.59 5.61 -36.83 14.64 3.78 -36.48 15.12 4.69 3 0 15.97 -999 ? O ACT A1181 >GLY.A 116 -38.20 18.52 6.75 -37.47 18.49 7.12 -37.83 18.51 6.93 1 0 16.42 -999 ? O ACT A1181 >LYS.A 117 -38.62 20.41 10.01 -44.40 21.40 11.23 -41.51 20.90 10.62 2 0 20.14 -999 ? O ACT A1181 >ILE.A 118 -34.85 20.28 13.02 -33.45 20.18 12.88 -34.15 20.23 12.95 3 0 19.55 -999 ? OXT ACT A1182 >GLU.A 119 -40.83 18.78 13.92 -42.39 17.53 13.21 -41.61 18.16 13.56 2 0 19.75 -999 ? OXT ACT A1182 >ASN~A 120 -37.16 17.92 19.64 -35.92 16.19 19.48 -36.54 17.06 19.56 2 0 16.79 -999 ? OXT ACT A1182 >GLU~A 121 -33.98 22.68 21.15 -32.78 23.95 19.94 -33.38 23.31 20.54 2 0 23.87 -999 ? OXT ACT A1182 >GLY~A 122 -31.93 16.98 20.49 -32.19 17.34 19.79 -32.06 17.16 20.14 1 0 17.38 -999 ? OXT ACT A1182 >LEU~A 123 -33.56 16.12 15.97 -33.69 15.04 14.07 -33.63 15.58 15.02 3 0 14.88 -999 ? OXT ACT A1182 >LYS~A 124 -30.92 19.75 15.99 -32.39 25.70 15.74 -31.65 22.73 15.87 2 0 24.92 -999 ? OXT ACT A1182 >THR~A 125 -27.86 19.04 18.16 -27.51 19.22 20.30 -27.69 19.13 19.23 2 0 19.90 -999 ? OXT ACT A1182 >ILE~A 126 -28.22 14.50 16.42 -28.54 13.15 16.59 -28.38 13.82 16.50 3 0 13.66 -999 ? OXT ACT A1182 >LEU~A 127 -28.85 17.74 12.29 -30.33 16.33 11.51 -29.59 17.03 11.90 3 0 16.48 -999 ? OXT ACT A1182 >LEU~A 128 -25.50 20.97 15.25 -26.54 22.89 14.85 -26.02 21.93 15.05 3 0 21.90 -999 ? OXT ACT A1182 >SER.A 129 -22.58 17.38 14.97 -23.31 15.06 14.68 -22.94 16.22 14.83 2 0 16.45 -999 ? CH3 ACT A1182 >LYS.A 130 -19.41 16.20 13.18 -20.24 16.85 17.21 -19.82 16.52 15.19 2 0 19.75 -999 ? CH3 ACT A1182 >ILE.A 131 -22.33 12.31 12.32 -22.29 11.76 13.07 -22.31 12.04 12.70 3 0 14.17 -999 ? CH3 ACT A1182 >PRO.A 132 -20.02 11.95 7.71 -21.56 13.35 8.54 -20.79 12.65 8.12 3 0 16.34 -999 ? CH3 ACT A1182 >SER^A 133 -25.30 14.53 6.77 -25.42 16.79 7.63 -25.36 15.66 7.20 2 0 18.22 -999 ? CH3 ACT A1182 >PHE^A 134 -28.37 13.63 1.61 -29.29 13.61 -1.07 -28.83 13.62 0.27 3 0 18.18 -999 ? O ACT A1181 >LEU^A 135 -29.57 18.51 5.89 -28.72 17.93 7.83 -29.15 18.22 6.86 3 0 18.99 -999 ? OXT ACT A1182 >TRP^A 136 -31.97 16.13 1.41 -34.31 14.15 -1.08 -33.14 15.14 0.16 3 0 14.38 -999 ? O ACT A1181 >LEU^A 137 -33.30 21.94 5.95 -32.14 20.80 7.40 -32.72 21.37 6.68 3 0 18.59 -999 ? O ACT A1181 >PHE.A 138 -38.96 23.20 5.34 -40.61 21.03 4.70 -39.78 22.12 5.02 3 0 14.29 -999 ? O ACT A1181 >GLU.A 139 -34.64 27.04 8.52 -35.38 28.56 9.82 -35.01 27.80 9.17 2 0 21.64 -999 ? O ACT A1181 >GLU.A 140 -27.69 26.26 5.34 -26.17 27.35 4.33 -26.93 26.81 4.83 2 0 22.35 -999 ? O ACT A1181 >LEU.A 141 -29.13 23.30 9.85 -29.08 22.31 11.78 -29.11 22.81 10.81 3 0 22.36 -999 ? OXT ACT A1182 >LYS.A 142 -25.15 24.34 9.11 -21.81 19.66 9.96 -23.48 22.00 9.53 2 0 21.46 -999 ? CH3 ACT A1182 >GLU.A 143 -21.50 21.88 6.93 -19.95 23.25 7.45 -20.73 22.57 7.19 2 0 25.89 -999 ? CH3 ACT A1182 >ASP.A 144 -24.09 23.13 1.13 -22.88 24.73 0.42 -23.49 23.93 0.78 2 0 22.46 -999 ? O ACT A1181 >CYH.A 145 -28.16 21.72 2.56 -30.09 23.43 3.54 -29.12 22.58 3.05 2 0 18.06 -999 ? O ACT A1181 >LEU^A 146 -31.13 19.53 -0.53 -32.02 18.95 -2.45 -31.58 19.24 -1.49 3 0 13.59 -999 ? O ACT A1181 >LEU^A 147 -32.90 25.17 0.16 -32.14 26.51 1.66 -32.52 25.84 0.91 3 0 15.19 -999 ? O ACT A1181 >LEU.A 148 -37.66 21.84 0.69 -37.25 19.71 0.41 -37.46 20.78 0.55 3 0 10.87 -999 ? O ACT A1181 >LYS.A 149 -40.01 25.58 0.52 -39.09 27.65 -5.03 -39.55 26.61 -2.25 2 0 8.87 -999 ? O ACT A1181 >GLU.A 150 -43.03 24.31 5.88 -42.80 24.92 7.90 -42.91 24.61 6.89 2 0 17.29 -999 ? O ACT A1181 >HIS.A 151 -46.06 27.03 4.30 -45.69 27.09 6.36 -45.88 27.06 5.33 3 0 15.84 -999 ? O ACT A1181 >ASP.A 152 -43.60 24.63 -2.03 -43.51 24.01 -4.05 -43.56 24.32 -3.04 2 0 5.90 -999 ? O ACT A1181 >SER.A 153 -48.21 23.38 -2.65 -49.08 24.42 -4.65 -48.64 23.90 -3.65 2 0 8.36 -999 ? O ACT A1181 >LEU~A 154 -45.58 21.65 -6.34 -46.95 22.06 -8.00 -46.26 21.85 -7.17 3 0 3.93 -999 ? O ACT A1181 >LEU~A 155 -43.73 20.49 -0.69 -42.12 20.15 0.73 -42.92 20.32 0.02 3 0 8.86 -999 ? O ACT A1181 >ASP~A 156 -46.26 16.00 -1.85 -46.95 16.56 0.08 -46.61 16.28 -0.89 2 0 10.59 -999 ? O ACT A1181 >TYR~A 157 -46.22 16.76 -7.11 -49.01 16.68 -7.45 -47.61 16.72 -7.28 3 0 5.66 -999 ? OXT ACT A1181 >LYS~A 158 -40.67 17.71 -5.46 -41.24 24.02 -6.17 -40.96 20.86 -5.81 2 0 -4.64 -999 ? O ACT A1181s >LEU~A 159 -40.53 14.98 -1.43 -40.24 16.08 0.45 -40.39 15.53 -0.49 3 0 10.10 -999 ? O ACT A1181 >LEU~A 160 -41.85 11.99 -5.74 -43.38 10.84 -4.79 -42.62 11.41 -5.27 3 0 8.80 -999 ? OXT ACT A1181 >GLN~A 161 -38.30 15.63 -9.77 -38.66 17.57 -10.57 -38.48 16.60 -10.17 2 0 4.67 -999 ? OXT ACT A1181 >LEU~A 162 -35.38 15.50 -4.49 -35.01 17.64 -4.54 -35.19 16.57 -4.51 3 0 9.74 -999 ? O ACT A1181 >PHE~A 163 -36.26 8.81 -3.56 -35.28 6.20 -3.15 -35.77 7.50 -3.36 3 0 15.05 -999 ? OXT ACT A1181 >LYS~A 164 -35.84 9.74 -8.05 -40.64 7.29 -8.85 -38.24 8.51 -8.45 2 0 11.79 -999 ? OXT ACT A1181 >LEU~A 165 -32.81 13.49 -8.77 -31.34 14.80 -9.66 -32.07 14.15 -9.21 3 0 12.03 -999 ? OXT ACT A1181 >PHE~A 166 -30.34 9.87 -3.70 -28.58 8.30 -2.17 -29.46 9.09 -2.94 3 0 18.23 -999 ? OXT ACT A1181 >GLU~A 167 -32.78 4.71 -6.52 -34.47 3.65 -5.83 -33.62 4.18 -6.18 2 0 17.93 -999 ? OXT ACT A1181 >ASN~A 168 -31.58 8.23 -11.56 -33.27 7.25 -12.34 -32.42 7.74 -11.95 2 0 15.32 -999 ? OXT ACT A1181 >ALA~A 169 -27.60 9.14 -9.68 -27.49 10.41 -8.90 -27.55 9.77 -9.29 2 0 17.78 -999 ? OXT ACT A1181 >LEU~A 170 -27.47 5.97 -6.00 -26.81 4.66 -4.41 -27.14 5.32 -5.21 3 0 19.30 -999 ? O ACT A1182 >PHE~A 171 -29.04 2.00 -8.65 -29.75 0.52 -6.40 -29.40 1.26 -7.53 3 0 20.27 -999 ? O ACT A1182 >SER~A 172 -25.78 5.39 -12.50 -27.32 6.81 -13.66 -26.55 6.10 -13.08 2 0 20.14 -999 ? OXT ACT A1181 >VAL~A 173 -22.49 5.36 -10.60 -21.95 6.78 -8.92 -22.22 6.07 -9.76 3 0 24.47 -999 ? OXT ACT A1181 >LEU~A 174 -24.08 1.31 -8.32 -23.99 1.21 -6.16 -24.03 1.26 -7.24 3 0 21.31 -999 ? CH3 ACT A1182 >TYR~A 175 -25.97 -0.55 -12.33 -27.68 -2.03 -10.65 -26.82 -1.29 -11.49 3 0 24.50 -999 ? O ACT A1182 >ASN.A 176 -19.36 1.51 -14.26 -19.79 -0.51 -14.77 -19.58 0.50 -14.51 2 0 29.75 -999 ? CH3 ACT A1182 >LYS.A 177 -22.65 4.65 -16.37 -26.75 7.46 -18.74 -24.70 6.06 -17.55 2 0 21.69 -999 ? OXT ACT A1181 >VAL^A 178 -21.43 7.83 -14.70 -22.98 9.33 -14.16 -22.20 8.58 -14.43 3 0 23.68 -999 ? OXT ACT A1181 >THR^A 179 -18.20 8.65 -12.85 -16.17 9.02 -13.57 -17.19 8.83 -13.21 2 0 28.89 -999 ? OXT ACT A1181 >LEU.A 180 -18.09 10.47 -8.36 -19.95 10.33 -7.21 -19.02 10.40 -7.78 3 0 25.64 -999 ? OXT ACT A1181 >MET.B 1 -18.56 6.99 -19.10 -16.61 4.50 -16.30 -17.58 5.75 -17.70 2 0 30.75 -999 ? OXT ACT A1181 >LYS^B 2 -20.20 10.38 -18.51 -23.30 13.86 -21.27 -21.75 12.12 -19.89 2 0 23.29 -999 ? OXT ACT A1181 >ASN^B 3 -18.33 14.30 -16.20 -18.26 15.53 -14.45 -18.30 14.91 -15.32 2 0 25.47 -999 ? OXT ACT A1181 >PHE~B 4 -22.20 13.21 -10.55 -24.23 13.70 -8.68 -23.21 13.45 -9.61 3 0 20.64 -999 ? OXT ACT A1181 >TYR~B 5 -20.60 17.75 -11.10 -19.92 17.17 -8.44 -20.26 17.46 -9.77 3 0 22.90 -999 ? O ACT A1181 >ASP~B 6 -21.58 16.53 -17.87 -19.92 17.81 -18.11 -20.75 17.17 -17.99 2 0 24.59 -999 ? OXT ACT A1181 >TRP~B 7 -26.39 11.02 -16.75 -27.73 11.07 -13.04 -27.06 11.05 -14.90 3 0 18.47 -999 ? OXT ACT A1181 >ILE~B 8 -26.56 15.62 -12.24 -26.67 16.24 -10.94 -26.62 15.93 -11.59 3 0 16.84 -999 ? OXT ACT A1181 >LYS~B 9 -27.67 18.71 -15.51 -26.70 22.99 -17.12 -27.19 20.85 -16.32 2 0 18.37 -999 ? O ACT A1181 >GLU~B 10 -27.02 16.65 -20.13 -25.98 15.39 -21.46 -26.50 16.02 -20.79 2 0 20.86 -999 ? OXT ACT A1181 >PHE~B 11 -31.34 12.52 -14.69 -33.24 10.78 -13.61 -32.29 11.65 -14.15 3 0 13.58 -999 ? OXT ACT A1181 >VAL~B 12 -32.64 17.14 -14.35 -32.11 18.38 -12.61 -32.37 17.76 -13.48 3 0 11.34 -999 ? OXT ACT A1181 >ARG~B 13 -32.45 21.03 -20.61 -29.60 19.86 -21.02 -31.03 20.44 -20.82 2 0 17.43 -999 ? OXT ACT A1181 >ASP~B 14 -34.30 14.67 -19.52 -35.49 13.01 -20.13 -34.89 13.84 -19.82 2 0 13.85 -999 ? OXT ACT A1181 >GLN~B 15 -37.01 14.07 -13.41 -36.09 14.23 -11.49 -36.55 14.15 -12.45 2 0 8.49 -999 ? OXT ACT A1181 >GLY~B 16 -38.85 18.09 -15.57 -38.71 17.64 -16.26 -38.78 17.86 -15.92 1 0 6.98 -999 ? OXT ACT A1181 >GLU~B 17 -38.08 19.88 -20.29 -36.49 20.35 -21.57 -37.29 20.12 -20.93 2 0 -13.09 -999 ? CH3 ACT A1181s >PHE~B 18 -41.22 12.14 -19.23 -42.79 9.87 -19.80 -42.01 11.01 -19.51 3 0 12.22 -999 ? OXT ACT A1181 >ILE~B 19 -42.78 16.21 -14.87 -42.59 16.17 -13.52 -42.69 16.19 -14.19 3 0 4.83 -999 ? OXT ACT A1181 >ALA~B 20 -44.41 18.69 -18.32 -43.53 19.83 -18.84 -43.97 19.26 -18.58 2 0 7.98 -999 ? CH3 ACT A1181 >GLN~B 21 -44.65 14.99 -23.33 -43.37 13.47 -24.10 -44.01 14.23 -23.72 2 0 14.95 -999 ? OXT ACT A1181 >GLN~B 22 -45.83 12.14 -19.65 -47.02 11.43 -21.30 -46.42 11.78 -20.47 2 0 12.24 -999 ? O3 GOL B1182 >SER~B 23 -48.93 16.79 -17.08 -48.50 18.95 -17.97 -48.71 17.87 -17.52 2 0 8.48 -999 ? CH3 ACT A1181 >GLY~B 24 -52.31 16.92 -18.92 -51.97 16.19 -18.78 -52.14 16.56 -18.85 1 0 11.88 -999 ? C1 GOL B1182 >TRP~B 25 -51.25 13.14 -15.70 -53.64 10.62 -13.83 -52.45 11.88 -14.77 3 0 -6.17 -999 ? O3 GOL B1182s >LEU~B 26 -55.85 13.90 -14.75 -57.02 12.86 -13.20 -56.43 13.38 -13.98 3 0 5.85 -999 ? C1 GOL B1182 >GLU~B 27 -57.79 18.33 -19.74 -56.95 20.26 -20.07 -57.37 19.30 -19.90 2 0 13.41 -999 ? O1 GOL B1182 >LEU~B 28 -56.27 13.21 -21.94 -55.13 14.40 -23.39 -55.70 13.81 -22.67 3 0 10.06 -999 ? O1 GOL B1182 >GLU~B 29 -57.44 9.91 -17.53 -57.08 7.94 -18.23 -57.26 8.92 -17.88 2 0 -3.75 -999 ? O1 GOL B1182s >ARG.B 30 -65.37 6.99 -20.70 -65.41 4.49 -18.90 -65.39 5.74 -19.80 2 0 -4.36 -999 ? CA CA B1183s >SER~B 31 -64.40 11.60 -16.83 -66.74 12.27 -17.06 -65.57 11.94 -16.94 2 0 8.40 -999 ? O1 GOL B1182 >SER~B 32 -65.53 8.28 -15.19 -66.24 6.55 -16.73 -65.88 7.42 -15.96 2 0 5.72 -999 ? CA CA B1183 >TYR~B 33 -61.61 10.66 -12.93 -61.26 13.14 -14.14 -61.43 11.90 -13.54 3 0 -4.73 -999 ? C1 GOL B1182s >ALA~B 34 -65.40 11.95 -11.28 -65.85 13.06 -12.24 -65.63 12.51 -11.76 2 0 8.65 -999 ? O1 GOL B1182 >LYS~B 35 -68.46 9.78 -10.58 -72.55 6.75 -11.95 -70.50 8.26 -11.26 2 0 11.04 -999 ? CA CA B1183 >LEU~B 36 -65.15 6.57 -9.02 -64.58 4.62 -8.22 -64.86 5.59 -8.62 3 0 8.31 -999 ? O2 GOL B1182 >ILE~B 37 -64.02 11.40 -6.99 -62.81 12.21 -6.99 -63.42 11.81 -6.99 3 0 9.52 -999 ? C1 GOL B1182 >ALA~B 38 -68.47 11.61 -6.00 -69.42 12.03 -7.12 -68.94 11.82 -6.56 2 0 12.14 -999 ? CA CA B1181 >GLN~B 39 -70.82 6.88 -6.62 -70.59 5.36 -8.10 -70.70 6.12 -7.36 2 0 11.27 -999 ? CA CA B1183 >THR~B 40 -66.85 8.08 -2.24 -64.82 7.37 -2.52 -65.83 7.73 -2.38 2 0 13.23 -999 ? O2 GOL B1182 >ILE~B 41 -67.57 12.88 -1.85 -67.07 14.18 -2.20 -67.32 13.53 -2.02 3 0 9.61 -999 ? CA CA B1181 >SER~B 42 -71.32 10.68 -0.61 -72.48 11.28 -2.66 -71.90 10.98 -1.64 2 0 9.53 -999 ? CA CA B1181 >HIS~B 43 -68.93 5.59 2.00 -68.67 4.03 3.39 -68.80 4.81 2.70 3 0 14.15 -999 ? CH3 ACT C1183 >VAL~B 44 -68.22 9.96 3.77 -66.16 10.79 3.82 -67.19 10.38 3.80 3 0 12.02 -999 ? CA CA B1181 >LEU~B 45 -71.79 13.10 2.71 -72.25 15.18 2.44 -72.02 14.14 2.58 3 0 6.36 -999 ? CA CA B1181 >ASN~B 46 -74.04 8.69 3.83 -75.20 9.76 2.34 -74.62 9.23 3.08 2 0 10.46 -999 ? CA CA B1181 >GLY.B 47 -71.37 8.67 7.89 -71.19 8.33 7.17 -71.28 8.50 7.53 1 0 13.54 -999 ? CA CA B1181 >GLY.B 48 -69.35 5.93 6.20 -69.01 6.58 6.53 -69.18 6.26 6.37 1 0 12.64 -999 ? CH3 ACT C1183 >SER^B 49 -65.82 4.78 7.06 -66.17 2.51 7.90 -65.99 3.65 7.48 2 0 8.06 -999 ? CH3 ACT C1183 >LEU^B 50 -62.19 5.55 4.03 -63.32 6.92 2.64 -62.76 6.23 3.33 3 0 11.88 -999 ? CH3 ACT C1183 >LEU^B 51 -61.53 -0.27 5.43 -63.08 -0.69 6.89 -62.31 -0.48 6.16 3 0 7.28 -999 ? CH3 ACT C1183 >VAL^B 52 -57.65 1.84 3.37 -57.03 3.95 3.09 -57.34 2.89 3.23 3 0 10.37 -999 ? O ACT C1183 >SER^B 53 -55.28 -0.85 2.05 -56.85 -2.35 0.91 -56.07 -1.60 1.48 2 0 12.05 -999 ? O ACT C1183 >ALA^B 54 -52.33 -0.83 -0.35 -51.49 0.42 -0.07 -51.91 -0.21 -0.21 2 0 14.74 -999 ? O ACT C1183 >ASP.B 55 -49.77 -3.61 -3.50 -48.83 -2.06 -4.64 -49.30 -2.83 -4.07 2 0 14.29 -999 ? O3 GOL B1182 >SER.B 56 -46.47 -3.76 -0.54 -45.56 -5.57 -1.92 -46.01 -4.67 -1.23 2 0 19.73 -999 ? O3 GOL B1182 >SER.B 57 -44.85 -1.14 -2.80 -43.72 -2.31 -4.56 -44.29 -1.72 -3.68 2 0 17.44 -999 ? O3 GOL B1182 >ARG~B 58 -47.41 1.88 -4.86 -46.76 -0.16 -7.06 -47.08 0.86 -5.96 2 0 12.97 -999 ? O3 GOL B1182 >HIS~B 59 -46.85 -1.06 2.89 -47.27 -3.11 3.11 -47.06 -2.08 3.00 3 0 15.18 -999 ? O ACT C1183 >TRP~B 60 -44.62 4.14 -1.38 -46.23 7.33 -3.05 -45.42 5.73 -2.22 3 0 15.39 -999 ? OXT ACT A1181 >PHE~B 61 -50.46 6.48 -2.03 -52.54 8.04 -3.12 -51.50 7.26 -2.57 3 0 12.02 -999 ? O3 GOL B1182 >LEU~B 62 -51.17 2.84 3.08 -52.53 1.95 4.64 -51.85 2.40 3.86 3 0 11.69 -999 ? O ACT C1183 >ASN~B 63 -47.83 6.22 5.31 -46.99 7.23 6.98 -47.41 6.73 6.15 2 0 14.86 -999 ? OXT ACT C1183 >TYR~B 64 -49.49 10.87 0.95 -49.71 13.38 -0.30 -49.60 12.13 0.33 3 0 13.94 -999 ? OXT ACT A1181 >ILE~B 65 -54.29 7.74 2.23 -55.14 7.06 1.34 -54.71 7.40 1.78 3 0 14.12 -999 ? OXT ACT C1183 >LEU~B 66 -53.32 7.37 7.37 -54.05 5.28 7.26 -53.68 6.33 7.31 3 0 9.71 -999 ? OXT ACT C1183 >SER~B 67 -51.74 11.42 7.51 -49.69 11.53 6.21 -50.72 11.48 6.86 2 0 15.74 -999 ? OXT ACT C1183 >ASN~B 68 -53.02 13.76 3.43 -51.10 14.43 2.89 -52.06 14.09 3.16 2 0 15.57 -999 ? O ACT A1181 >LEU~B 69 -57.60 11.66 5.41 -58.36 11.32 3.33 -57.98 11.49 4.37 3 0 14.05 -999 ? OXT ACT C1183 >ASN~B 70 -56.88 12.21 10.31 -58.96 11.82 10.06 -57.92 12.02 10.18 2 0 11.40 -999 ? OXT ACT C1183 >PRO.B 71 -54.75 17.37 9.13 -53.97 15.34 9.74 -54.36 16.35 9.44 3 0 16.48 -999 ? OXT ACT C1183 >LYS.B 72 -51.55 16.08 13.28 -45.97 15.76 16.18 -48.76 15.92 14.73 2 0 19.60 -999 ? OXT ACT C1183 >ASP.B 73 -52.42 20.74 13.73 -53.54 22.42 14.42 -52.98 21.58 14.07 2 0 22.00 -999 ? OXT ACT C1183 >LEU.B 74 -57.97 18.39 13.22 -58.43 16.27 12.99 -58.20 17.33 13.11 3 0 16.31 -999 ? OXT ACT C1183 >LYS.B 75 -57.47 22.90 13.02 -52.58 24.12 11.55 -55.03 23.51 12.29 2 0 22.83 -999 ? O ACT A1181 >GLU.B 76 -61.39 25.88 12.33 -62.09 25.88 14.33 -61.74 25.88 13.33 2 0 18.73 -999 ? CA CA B1181 >ARG.B 77 -57.98 19.33 8.28 -57.78 17.70 5.69 -57.88 18.51 6.99 2 0 16.85 -999 ? CA CA B1181 >PRO.B 78 -64.24 17.11 8.75 -63.33 17.71 10.72 -63.79 17.41 9.73 3 0 13.58 -999 ? CA CA B1181 >LEU.B 79 -62.00 13.48 13.75 -60.60 12.04 14.66 -61.30 12.76 14.21 3 0 12.01 -999 ? OXT ACT C1183 >LEU.B 80 -61.97 11.97 7.93 -62.50 13.57 6.57 -62.24 12.77 7.25 3 0 13.87 -999 ? OXT ACT C1183 >SER.B 81 -63.52 8.07 9.67 -64.94 6.18 10.18 -64.23 7.13 9.93 2 0 8.11 -999 ? CH3 ACT C1183 >VAL^B 82 -60.38 6.53 8.14 -59.34 7.83 6.68 -59.86 7.18 7.41 3 0 8.90 -999 ? OXT ACT C1183 >ILE^B 83 -59.96 2.06 9.28 -60.82 1.83 9.74 -60.39 1.95 9.51 3 0 -4.21 -999 ? CH3 ACT C1183s >ASP^B 84 -54.22 1.68 8.96 -52.58 0.65 8.12 -53.40 1.16 8.54 2 0 7.80 -999 ? O ACT C1183 >PHE.B 85 -58.48 -3.31 5.56 -59.66 -5.84 5.32 -59.07 -4.57 5.44 3 0 8.15 -999 ? O ACT C1183 >ASN.B 86 -52.20 -2.48 5.54 -51.99 -2.60 3.42 -52.09 -2.54 4.48 2 0 11.57 -999 ? O ACT C1183 >ALA.B 87 -52.69 -3.08 9.85 -52.24 -1.81 10.51 -52.46 -2.45 10.18 2 0 6.83 -999 ? O ACT C1183 >SER.B 88 -56.11 -4.45 10.90 -58.45 -5.07 10.53 -57.28 -4.76 10.72 2 0 4.64 -999 ? O ACT C1183 >SER.B 89 -56.52 -7.84 12.62 -56.01 -7.64 14.93 -56.27 -7.74 13.78 2 0 7.47 -999 ? O ACT C1183 >PHE.B 90 -61.00 -7.10 11.28 -61.80 -6.20 13.81 -61.40 -6.65 12.55 3 0 6.30 -999 ? O ACT C1183 >TYR.B 91 -54.93 -7.42 5.60 -53.90 -7.36 2.99 -54.42 -7.39 4.29 3 0 11.41 -999 ? O ACT C1183 >PRO.B 92 -58.42 -10.09 3.41 -57.41 -10.70 5.34 -57.91 -10.40 4.38 3 0 12.61 -999 ? O ACT C1183 >LYS.B 93 -54.77 -14.10 4.84 -51.86 -13.62 10.10 -53.32 -13.86 7.47 2 0 14.57 -999 ? O ACT C1183 >ASN.B 94 -55.90 -18.81 5.77 -53.88 -19.30 6.35 -54.89 -19.06 6.06 2 0 19.97 -999 ? O ACT C1183 >ASP.B 95 -58.00 -16.84 6.87 -57.88 -17.33 8.94 -57.94 -17.08 7.90 2 0 16.79 -999 ? O ACT C1183 >ALA.B 96 -62.34 -18.67 5.39 -62.96 -19.17 6.71 -62.65 -18.92 6.05 2 0 19.63 -999 ? O ACT C1183 >ASN~B 97 -64.58 -14.76 3.84 -63.20 -13.18 4.05 -63.89 -13.97 3.95 2 0 15.65 -999 ? O ACT C1183 >LEU~B 98 -63.33 -15.45 9.54 -63.70 -17.43 10.36 -63.52 -16.44 9.95 3 0 16.43 -999 ? O ACT C1183 >SER~B 99 -62.79 -11.40 7.59 -60.42 -11.55 7.06 -61.60 -11.48 7.32 2 0 12.12 -999 ? O ACT C1183 >LEU~B 100 -66.44 -10.56 4.44 -67.68 -9.43 3.09 -67.06 -9.99 3.76 3 0 15.18 -999 ? CH3 ACT C1183 >ALA~B 101 -68.31 -11.14 8.47 -68.68 -12.57 8.87 -68.50 -11.86 8.67 2 0 15.53 -999 ? CH3 ACT C1183 >THR~B 102 -66.17 -9.62 11.24 -64.70 -10.41 12.61 -65.43 -10.01 11.93 2 0 11.18 -999 ? CH3 ACT C1183 >ILE~B 103 -65.07 -6.29 7.81 -64.12 -5.91 6.92 -64.60 -6.10 7.36 3 0 9.33 -999 ? CH3 ACT C1183 >GLU~B 104 -69.87 -6.96 6.25 -71.31 -7.55 4.87 -70.59 -7.25 5.56 2 0 15.50 -999 ? CH3 ACT C1183 >MET~B 105 -70.35 -6.64 12.27 -69.57 -9.15 15.32 -69.96 -7.90 13.80 2 0 12.93 -999 ? CH3 ACT C1183 >THR~B 106 -67.60 -4.27 13.49 -65.53 -4.72 13.89 -66.56 -4.50 13.69 2 0 6.80 -999 ? CH3 ACT C1183 >TYR~B 107 -65.76 -1.20 10.47 -63.11 -1.54 11.28 -64.43 -1.37 10.88 3 0 -4.64 -999 ? CH3 ACT C1183s >GLN.B 108 -71.92 1.97 12.89 -73.14 3.55 13.64 -72.53 2.76 13.26 2 0 12.96 -999 ? CH3 ACT C1183 >ASN.B 109 -71.64 2.73 6.90 -72.13 3.19 4.89 -71.88 2.96 5.90 2 0 14.52 -999 ? CH3 ACT C1183 >PRO^B 110 -67.97 -1.84 6.26 -68.06 0.42 5.97 -68.02 -0.71 6.11 3 0 10.25 -999 ? CH3 ACT C1183 >MET^B 111 -66.03 1.17 2.20 -66.07 4.25 -0.63 -66.05 2.71 0.79 2 0 15.47 -999 ? O2 GOL B1182 >PHE^B 112 -63.06 -2.90 1.60 -63.81 -4.78 3.50 -63.43 -3.84 2.55 3 0 11.63 -999 ? O ACT C1183 >TRP^B 113 -58.56 4.00 -1.98 -58.40 7.66 -0.47 -58.49 5.83 -1.23 3 0 12.50 -999 ? C3 GOL B1182 >HIS^B 114 -56.53 -2.49 -2.49 -54.69 -3.47 -2.77 -55.61 -2.98 -2.63 3 0 14.73 -999 ? O2 GOL B1182 >VAL^B 115 -54.47 1.00 -3.95 -53.73 3.06 -3.76 -54.10 2.03 -3.86 3 0 11.10 -999 ? O3 GOL B1182 >GLY.B 116 -52.33 -1.19 -6.26 -53.05 -1.53 -6.05 -52.69 -1.36 -6.15 1 0 11.34 -999 ? O3 GOL B1182 >LYS.B 117 -51.85 -4.97 -6.63 -45.97 -6.38 -7.05 -48.91 -5.67 -6.84 2 0 17.47 -999 ? O3 GOL B1182 >ILE.B 118 -55.60 -7.68 -5.36 -57.00 -7.51 -5.37 -56.30 -7.60 -5.36 3 0 16.04 -999 ? CA CA B1183 >GLU.B 119 -49.69 -7.93 -3.61 -48.19 -6.64 -2.78 -48.94 -7.28 -3.19 2 0 18.74 -999 ? O3 GOL B1182 >ASN~B 120 -53.48 -12.76 -0.52 -54.66 -11.58 0.79 -54.07 -12.17 0.13 2 0 16.46 -999 ? O ACT C1183 >GLU~B 121 -56.51 -16.27 -4.35 -57.29 -15.23 -6.03 -56.90 -15.75 -5.19 2 0 20.57 -999 ? CA CA B1183 >GLY~B 122 -58.61 -13.33 0.48 -58.35 -12.82 -0.14 -58.48 -13.08 0.17 1 0 17.40 -999 ? O ACT C1183 >LEU~B 123 -56.96 -8.84 -0.37 -56.82 -6.67 -0.15 -56.89 -7.75 -0.26 3 0 14.76 -999 ? O ACT C1183 >LYS~B 124 -59.47 -10.21 -3.79 -60.04 -11.72 -8.85 -59.76 -10.96 -6.32 2 0 15.51 -999 ? CA CA B1183 >THR~B 125 -62.56 -11.96 -2.52 -62.99 -13.96 -1.86 -62.77 -12.96 -2.19 2 0 20.01 -999 ? O ACT C1183 >ILE~B 126 -62.68 -8.61 1.06 -62.51 -8.42 2.38 -62.59 -8.52 1.72 3 0 13.93 -999 ? O ACT C1183 >LEU~B 127 -61.40 -6.02 -3.34 -59.96 -4.82 -2.06 -60.68 -5.42 -2.70 3 0 15.50 -999 ? CA CA B1183 >LEU~B 128 -64.94 -9.65 -5.63 -64.04 -10.05 -7.55 -64.49 -9.85 -6.59 3 0 14.79 -999 ? CA CA B1183 >SER.B 129 -67.85 -8.37 -2.23 -67.26 -7.25 -0.20 -67.55 -7.81 -1.21 2 0 16.63 -999 ? CH3 ACT C1183 >LYS.B 130 -71.06 -6.27 -2.00 -70.24 -10.95 -0.22 -70.65 -8.61 -1.11 2 0 19.82 -999 ? CH3 ACT C1183 >ILE.B 131 -68.05 -4.28 1.19 -67.74 -3.98 1.88 -67.90 -4.13 1.53 3 0 14.36 -999 ? CH3 ACT C1183 >PRO.B 132 -70.58 0.18 0.28 -69.03 -0.96 -0.86 -69.81 -0.39 -0.29 3 0 16.33 -999 ? CH3 ACT C1183 >SER^B 133 -65.35 0.26 -2.64 -65.36 -1.24 -4.55 -65.36 -0.49 -3.60 2 0 12.08 -999 ? CA CA B1183 >PHE^B 134 -62.26 5.34 -3.80 -61.37 7.78 -4.90 -61.81 6.56 -4.35 3 0 10.29 -999 ? O2 GOL B1182 >LEU^B 135 -60.93 -0.58 -6.53 -61.83 -2.14 -5.33 -61.38 -1.36 -5.93 3 0 10.99 -999 ? CA CA B1183 >TRP^B 136 -58.60 4.51 -6.11 -56.30 7.63 -5.31 -57.45 6.07 -5.71 3 0 7.93 -999 ? C3 GOL B1182 >LEU^B 137 -57.25 -1.91 -9.74 -58.40 -2.76 -8.13 -57.82 -2.34 -8.94 3 0 9.63 -999 ? O2 GOL B1182 >PHE.B 138 -51.50 -1.79 -11.00 -49.88 -0.29 -9.29 -50.69 -1.04 -10.15 3 0 9.75 -999 ? O3 GOL B1182 >GLU.B 139 -55.66 -6.36 -12.61 -53.57 -6.46 -12.15 -54.61 -6.41 -12.38 2 0 13.29 -999 ? O3 GOL B1182 >GLU.B 140 -61.69 -2.09 -15.49 -62.76 -1.73 -17.26 -62.23 -1.91 -16.37 2 0 3.43 -999 ? CA CA B1183s >LEU.B 141 -60.45 -6.61 -10.73 -58.57 -7.78 -11.06 -59.51 -7.19 -10.90 3 0 11.01 -999 ? CA CA B1183 >LYS.B 142 -64.62 -4.19 -11.77 -67.07 -4.36 -7.79 -65.84 -4.28 -9.78 2 0 10.67 -999 ? CA CA B1183 >GLU.B 143 -68.55 -1.90 -14.29 -70.34 -1.88 -15.47 -69.44 -1.89 -14.88 2 0 -7.19 -999 ? CA CA B1183s >ASP.B 144 -67.28 1.35 -10.84 -69.02 1.72 -11.95 -68.15 1.54 -11.39 2 0 6.66 -999 ? CA CA B1183 >CYH.B 145 -62.49 1.50 -10.58 -60.97 -0.38 -12.04 -61.73 0.56 -11.31 2 0 5.45 -999 ? CA CA B1183 >LEU^B 146 -59.25 4.86 -9.92 -58.23 6.70 -10.06 -58.74 5.78 -9.99 3 0 -4.12 -999 ? O2 GOL B1182s >LEU^B 147 -57.70 1.88 -14.83 -58.68 0.02 -15.15 -58.19 0.95 -14.99 3 0 -4.90 -999 ? O2 GOL B1182s >LEU.B 148 -52.98 2.81 -11.36 -53.35 3.76 -9.47 -53.16 3.29 -10.41 3 0 5.32 -999 ? O3 GOL B1182 >LYS.B 149 -50.82 2.31 -15.26 -51.03 5.84 -20.47 -50.93 4.08 -17.87 2 0 7.98 -999 ? O3 GOL B1182 >GLU.B 150 -48.00 -2.44 -12.49 -48.57 -4.48 -12.31 -48.29 -3.46 -12.40 2 0 13.13 -999 ? O3 GOL B1182 >HIS.B 151 -44.56 -2.11 -14.97 -44.59 -3.90 -13.87 -44.57 -3.00 -14.42 3 0 14.53 -999 ? O3 GOL B1182 >ASP.B 152 -47.04 4.74 -15.30 -47.17 6.82 -15.76 -47.10 5.78 -15.53 2 0 8.52 -999 ? O3 GOL B1182 >SER.B 153 -42.50 5.86 -14.56 -41.69 7.35 -16.29 -42.10 6.60 -15.42 2 0 13.04 -999 ? OXT ACT A1181 >LEU~B 154 -45.25 9.80 -14.25 -43.98 11.23 -15.30 -44.61 10.51 -14.77 3 0 9.57 -999 ? OXT ACT A1181 >LEU~B 155 -46.89 4.99 -11.02 -48.49 3.73 -10.16 -47.69 4.36 -10.59 3 0 8.74 -999 ? O3 GOL B1182 >ASP~B 156 -44.48 7.85 -7.33 -43.76 5.86 -7.08 -44.12 6.85 -7.20 2 0 13.25 -999 ? OXT ACT A1181 >TYR~B 157 -44.58 12.35 -10.09 -41.80 12.65 -10.19 -43.19 12.50 -10.14 3 0 6.24 -999 ? OXT ACT A1181 >LYS~B 158 -50.07 10.43 -10.30 -49.56 8.69 -16.32 -49.82 9.56 -13.31 2 0 6.73 -999 ? O3 GOL B1182 >LEU~B 159 -50.12 7.79 -6.19 -50.39 5.62 -6.50 -50.25 6.71 -6.34 3 0 9.18 -999 ? O3 GOL B1182 >LEU~B 160 -48.88 12.92 -5.16 -47.30 12.65 -3.74 -48.09 12.79 -4.45 3 0 9.59 -999 ? OXT ACT A1181 >GLN~B 161 -52.63 15.11 -10.15 -52.19 15.21 -12.23 -52.41 15.16 -11.19 2 0 9.27 -999 ? C3 GOL B1182 >LEU~B 162 -55.25 10.28 -7.94 -55.75 9.53 -9.90 -55.50 9.91 -8.92 3 0 5.46 -999 ? C3 GOL B1182 >PHE~B 163 -54.45 12.00 -1.40 -55.38 12.66 1.16 -54.92 12.33 -0.12 3 0 14.45 -999 ? C3 GOL B1182 >LYS~B 164 -54.90 15.84 -3.99 -50.07 17.65 -1.98 -52.48 16.74 -2.98 2 0 10.34 -999 ? O ACT A1181 >LEU~B 165 -57.94 14.99 -7.70 -59.59 15.24 -9.13 -58.76 15.12 -8.42 3 0 9.28 -999 ? C1 GOL B1182 >PHE~B 166 -60.35 11.65 -2.48 -62.14 10.72 -0.50 -61.25 11.19 -1.49 3 0 13.46 -999 ? C3 GOL B1182 >GLU~B 167 -56.85 16.74 -0.78 -55.11 17.01 0.42 -55.98 16.87 -0.18 2 0 15.72 -999 ? O ACT A1181 >ASN~B 168 -59.27 19.54 -3.77 -57.59 20.58 -3.04 -58.43 20.06 -3.41 2 0 15.62 -999 ? CH3 ACT A1181 >ALA~B 169 -63.20 17.37 -4.05 -63.27 16.15 -4.99 -63.24 16.76 -4.52 2 0 12.65 -999 ? CA CA B1181 >LEU~B 170 -63.31 15.07 0.21 -63.98 13.98 1.99 -63.64 14.53 1.10 3 0 11.52 -999 ? CA CA B1181 >PHE~B 171 -61.99 19.06 3.03 -61.27 17.56 5.28 -61.63 18.31 4.15 3 0 12.68 -999 ? CA CA B1181 >SER~B 172 -65.24 21.33 -1.59 -63.69 21.95 -3.31 -64.46 21.64 -2.45 2 0 11.09 -999 ? CA CA B1181 >VAL~B 173 -68.41 19.35 -0.98 -69.08 17.31 -1.74 -68.74 18.33 -1.36 3 0 5.77 -999 ? CA CA B1181 >LEU~B 174 -66.92 18.58 3.64 -66.81 16.35 3.93 -66.86 17.47 3.78 3 0 7.90 -999 ? CA CA B1181 >TYR~B 175 -65.36 23.11 4.03 -63.61 22.29 6.06 -64.48 22.70 5.05 3 0 10.51 -999 ? CA CA B1181 >ASN.B 176 -71.77 24.24 1.63 -73.32 22.93 2.33 -72.54 23.58 1.98 2 0 -3.27 -999 ? CA CA B1181s >LYS.B 177 -68.49 25.09 -2.05 -63.14 26.93 0.36 -65.81 26.01 -0.85 2 0 12.69 -999 ? CA CA B1181 >VAL^B 178 -69.98 22.73 -4.63 -68.10 21.76 -5.26 -69.04 22.24 -4.94 3 0 7.85 -999 ? CA CA B1181 >THR^B 179 -73.24 20.81 -4.92 -74.72 22.26 -5.56 -73.98 21.53 -5.24 2 0 6.91 -999 ? CA CA B1181 >LEU.B 180 -72.43 16.19 -4.49 -71.33 14.41 -5.08 -71.88 15.30 -4.79 3 0 7.64 -999 ? CA CA B1181 >GLY.C -5 -18.00 -0.53 62.20 -18.04 -1.35 62.25 -18.02 -0.94 62.23 1 0 33.79 -999 ? CA CA C1182 >VAL.C -4 -20.98 -1.40 59.98 -23.03 -0.57 59.88 -22.01 -0.99 59.93 3 0 30.31 -999 ? CA CA C1182 >SER.C -3 -18.95 -1.86 56.73 -17.49 -3.58 57.60 -18.22 -2.72 57.17 2 0 30.05 -999 ? CA CA C1182 >ILE.C -2 -18.21 0.22 52.39 -18.77 1.54 52.23 -18.49 0.88 52.31 3 0 31.11 -999 ? CA CA C1182 >ARG.C -1 -23.32 -3.70 47.99 -26.29 -3.39 47.24 -24.81 -3.54 47.61 2 0 22.70 -999 ? CA CA C1182 >SER.C 0 -18.20 -5.51 49.38 -18.66 -7.72 50.34 -18.43 -6.61 49.86 2 0 24.40 -999 ? CA CA C1182 >MET.C 1 -19.23 -7.20 46.14 -16.88 -7.34 43.49 -18.05 -7.27 44.81 2 0 25.74 -999 ? CA CA C1182 >LYS^C 2 -20.31 -10.65 45.10 -24.59 -14.66 46.53 -22.45 -12.65 45.81 2 0 15.05 -999 ? CA CA C1182 >ASN^C 3 -18.27 -14.28 42.59 -18.15 -15.35 40.76 -18.21 -14.81 41.67 2 0 20.98 -999 ? CA CA C1182 >PHE~C 4 -22.18 -13.20 37.01 -24.26 -13.66 35.19 -23.22 -13.43 36.10 3 0 19.56 -999 ? CA CA C1182 >TYR~C 5 -20.63 -17.79 37.57 -20.04 -17.26 34.89 -20.34 -17.53 36.23 3 0 20.02 -999 ? CA CA C1182 >ASP~C 6 -21.58 -16.53 44.38 -19.90 -17.78 44.62 -20.74 -17.15 44.50 2 0 17.85 -999 ? CA CA C1182 >TRP~C 7 -26.42 -11.04 43.18 -27.72 -11.10 39.46 -27.07 -11.07 41.32 3 0 16.43 -999 ? CA CA C1182 >ILE~C 8 -26.55 -15.68 38.69 -26.60 -16.29 37.42 -26.57 -15.98 38.06 3 0 14.94 -999 ? CA CA C1182 >LYS~C 9 -27.74 -18.74 41.99 -22.99 -22.90 41.19 -25.36 -20.82 41.59 2 0 14.61 -999 ? CA CA C1182 >GLU~C 10 -27.27 -16.59 46.83 -26.38 -15.22 48.19 -26.82 -15.91 47.51 2 0 13.45 -999 ? CA CA C1182 >PHE~C 11 -31.36 -12.51 41.16 -33.23 -10.77 40.01 -32.29 -11.64 40.59 3 0 12.63 -999 ? O3 GOL D1181 >VAL~C 12 -32.65 -17.13 40.83 -32.11 -18.43 39.13 -32.38 -17.78 39.98 3 0 9.37 -999 ? CA CA C1182 >ARG~C 13 -32.51 -20.88 47.20 -29.56 -20.08 47.23 -31.03 -20.48 47.21 2 0 8.07 -999 ? CA CA C1182 >ASP~C 14 -34.30 -14.69 46.01 -33.14 -15.11 47.72 -33.72 -14.90 46.87 2 0 9.29 -999 ? CA CA C1182 >GLN~C 15 -36.99 -14.05 39.90 -36.11 -14.23 37.95 -36.55 -14.14 38.92 2 0 7.40 -999 ? O3 GOL D1181 >GLY~C 16 -38.82 -18.07 42.06 -38.69 -17.63 42.74 -38.76 -17.85 42.40 1 0 6.74 -999 ? C3 GOL D1181 >GLU~C 17 -38.10 -19.90 46.72 -36.47 -20.40 47.99 -37.29 -20.15 47.36 2 0 3.68 -999 ? CA CA C1182s >PHE~C 18 -41.21 -12.14 45.70 -42.78 -9.88 46.28 -41.99 -11.01 45.99 3 0 12.17 -999 ? O3 GOL D1181 >ILE~C 19 -42.77 -16.22 41.36 -42.59 -16.18 40.00 -42.68 -16.20 40.68 3 0 4.87 -999 ? C3 GOL D1181 >ALA~C 20 -44.43 -18.68 44.80 -43.59 -19.87 45.33 -44.01 -19.28 45.06 2 0 7.71 -999 ? O1 GOL D1181 >GLN~C 21 -42.83 -16.22 49.17 -41.46 -14.68 49.75 -42.15 -15.45 49.46 2 0 10.67 -999 ? CA CA C1182 >GLN~C 22 -45.78 -12.19 46.13 -46.92 -11.45 47.79 -46.35 -11.82 46.96 2 0 14.06 -999 ? O1 GOL D1181 >SER~C 23 -48.92 -16.81 43.56 -48.52 -18.99 44.45 -48.72 -17.90 44.00 2 0 8.22 -999 ? O1 GOL D1181 >GLY~C 24 -52.31 -16.92 45.35 -51.96 -16.19 45.23 -52.13 -16.56 45.29 1 0 11.82 -999 ? O1 GOL D1181 >TRP~C 25 -51.28 -13.11 42.19 -53.66 -10.63 40.27 -52.47 -11.87 41.23 3 0 12.15 -999 ? C1 GOL D1181 >LEU~C 26 -55.92 -14.00 41.24 -57.21 -13.07 39.65 -56.57 -13.53 40.44 3 0 14.05 -999 ? C1 GOL D1181 >GLU~C 27 -57.81 -18.31 46.30 -57.05 -20.28 46.55 -57.43 -19.30 46.43 2 0 15.61 -999 ? O1 GOL D1181 >LEU~C 28 -56.19 -13.18 48.34 -55.09 -14.57 49.65 -55.64 -13.87 48.99 3 0 16.32 -999 ? CA CA C1184 >ARG.C 30 -62.22 -10.49 50.42 -61.88 -13.41 51.37 -62.05 -11.95 50.89 2 0 14.99 -999 ? CA CA C1184 >SER.C 31 -64.71 -10.73 43.80 -66.67 -12.16 44.05 -65.69 -11.45 43.92 2 0 11.23 -999 ? CA CA C1184 >SER~C 32 -65.86 -7.98 41.44 -65.87 -6.54 43.37 -65.86 -7.26 42.40 2 0 5.57 -999 ? CA CA C1184 >TYR~C 33 -61.66 -10.64 39.47 -61.26 -13.15 40.60 -61.46 -11.90 40.03 3 0 11.20 -999 ? CA CA C1184 >ALA~C 34 -65.39 -11.97 37.73 -65.91 -13.10 38.66 -65.65 -12.54 38.20 2 0 12.61 -999 ? CA CA C1184 >LYS~C 35 -68.45 -9.84 37.00 -72.38 -5.53 38.73 -70.42 -7.68 37.87 2 0 10.20 -999 ? CA CA C1184 >LEU~C 36 -65.19 -6.55 35.50 -64.61 -4.63 34.62 -64.90 -5.59 35.06 3 0 8.84 -999 ? CA CA C1184 >ILE~C 37 -64.07 -11.44 33.47 -62.86 -12.23 33.46 -63.47 -11.84 33.46 3 0 14.03 -999 ? CA CA C1184 >ALA~C 38 -68.47 -11.63 32.46 -69.41 -12.04 33.57 -68.94 -11.83 33.02 2 0 12.06 -999 ? CA CA C1181 >GLN~C 39 -70.79 -6.86 33.04 -70.58 -5.33 34.49 -70.68 -6.10 33.77 2 0 11.29 -999 ? CA CA C1184 >THR~C 40 -66.85 -8.05 28.72 -64.85 -7.34 28.99 -65.85 -7.70 28.85 2 0 15.04 -999 ? CA CA C1184 >ILE~C 41 -67.57 -12.87 28.35 -67.07 -14.19 28.67 -67.32 -13.53 28.51 3 0 9.68 -999 ? CA CA C1181 >SER~C 42 -71.30 -10.68 27.08 -72.47 -11.31 29.07 -71.89 -10.99 28.07 2 0 9.40 -999 ? CA CA C1181 >HIS~C 43 -69.05 -5.52 24.49 -68.63 -4.06 23.04 -68.84 -4.79 23.76 3 0 14.16 -999 ? CH3 ACT C1183 >VAL~C 44 -68.22 -9.96 22.69 -66.14 -10.80 22.63 -67.18 -10.38 22.66 3 0 12.15 -999 ? CA CA C1181 >LEU~C 45 -71.67 -13.12 23.85 -72.20 -15.20 24.06 -71.94 -14.16 23.96 3 0 6.41 -999 ? CA CA C1181 >ASN~C 46 -74.04 -8.67 22.63 -75.10 -9.60 24.27 -74.57 -9.13 23.45 2 0 10.53 -999 ? CA CA C1181 >GLY.C 47 -71.37 -8.66 18.59 -71.18 -8.34 19.31 -71.28 -8.50 18.95 1 0 13.62 -999 ? CA CA C1181 >GLY.C 48 -69.33 -5.95 20.30 -68.98 -6.61 19.95 -69.15 -6.28 20.13 1 0 12.66 -999 ? CH3 ACT C1183 >SER^C 49 -65.83 -4.76 19.39 -66.15 -2.47 18.58 -65.99 -3.62 18.99 2 0 8.04 -999 ? CH3 ACT C1183 >LEU^C 50 -62.22 -5.53 22.47 -63.06 -6.77 24.03 -62.64 -6.15 23.25 3 0 11.91 -999 ? CH3 ACT C1183 >LEU^C 51 -61.54 0.26 21.05 -63.07 0.75 19.58 -62.30 0.51 20.32 3 0 7.28 -999 ? CH3 ACT C1183 >VAL^C 52 -57.64 -1.82 23.07 -57.06 -3.94 23.43 -57.35 -2.88 23.25 3 0 10.37 -999 ? OXT ACT C1183 >SER^C 53 -55.28 0.90 24.40 -56.83 2.38 25.58 -56.05 1.64 24.99 2 0 12.05 -999 ? OXT ACT C1183 >ALA^C 54 -52.34 0.82 26.82 -51.53 -0.42 26.55 -51.93 0.20 26.69 2 0 14.74 -999 ? OXT ACT C1183 >ASP.C 55 -49.79 3.61 29.96 -48.81 2.08 31.09 -49.30 2.84 30.52 2 0 19.45 -999 ? CA CA C1184 >SER.C 56 -46.48 3.79 27.00 -45.42 5.54 28.32 -45.95 4.66 27.66 2 0 20.22 -999 ? OXT ACT C1183 >SER.C 57 -44.87 1.18 29.24 -43.70 2.34 31.00 -44.29 1.76 30.12 2 0 20.56 -999 ? O3 GOL D1181 >ARG~C 58 -48.43 -0.71 31.25 -46.65 0.17 33.60 -47.54 -0.27 32.43 2 0 18.42 -999 ? O3 GOL D1181 >HIS~C 59 -46.89 1.05 23.56 -47.29 3.11 23.40 -47.09 2.08 23.48 3 0 15.17 -999 ? OXT ACT C1183 >TRP~C 60 -44.60 -4.16 27.84 -46.25 -7.32 29.48 -45.42 -5.74 28.66 3 0 14.18 -999 ? O3 GOL D1181 >PHE~C 61 -50.46 -6.48 28.51 -52.52 -8.03 29.62 -51.49 -7.26 29.07 3 0 15.37 -999 ? O3 GOL D1181 >LEU~C 62 -51.11 -2.83 23.37 -52.52 -2.00 21.86 -51.82 -2.42 22.62 3 0 11.74 -999 ? OXT ACT C1183 >ASN~C 63 -47.81 -6.22 21.11 -47.01 -7.28 19.44 -47.41 -6.75 20.27 2 0 14.81 -999 ? O ACT C1183 >TYR~C 64 -49.46 -10.91 25.49 -49.72 -13.40 26.79 -49.59 -12.15 26.14 3 0 13.24 -999 ? O3 GOL D1181 >ILE~C 65 -54.29 -7.76 24.24 -55.13 -7.05 25.11 -54.71 -7.40 24.67 3 0 14.09 -999 ? O ACT C1183 >LEU~C 66 -53.37 -7.35 19.09 -54.06 -5.25 19.28 -53.72 -6.30 19.19 3 0 9.68 -999 ? O ACT C1183 >SER~C 67 -51.74 -11.42 18.94 -49.72 -11.51 20.26 -50.73 -11.47 19.60 2 0 15.70 -999 ? O ACT C1183 >ASN~C 68 -53.02 -13.76 23.01 -51.11 -14.42 23.60 -52.07 -14.09 23.31 2 0 15.25 -999 ? C2 GOL D1181 >LEU~C 69 -57.63 -11.71 21.14 -58.51 -11.32 23.09 -58.07 -11.52 22.11 3 0 14.09 -999 ? O ACT C1183 >ASN~C 70 -56.89 -12.17 16.15 -58.98 -11.84 16.38 -57.93 -12.01 16.27 2 0 11.43 -999 ? O ACT C1183 >PRO.C 71 -54.81 -17.35 17.42 -54.02 -15.34 16.73 -54.41 -16.35 17.07 3 0 16.49 -999 ? O ACT C1183 >LYS.C 72 -51.58 -16.11 13.18 -47.22 -15.59 10.10 -49.40 -15.85 11.64 2 0 18.71 -999 ? O ACT C1183 >ASP.C 73 -52.43 -20.77 12.85 -53.47 -22.46 12.11 -52.95 -21.62 12.48 2 0 22.09 -999 ? O ACT C1183 >LEU.C 74 -57.96 -18.41 13.09 -58.20 -16.22 13.30 -58.08 -17.31 13.19 3 0 16.33 -999 ? O ACT C1183 >LYS.C 75 -57.40 -22.87 13.44 -53.97 -26.42 17.14 -55.69 -24.65 15.29 2 0 21.97 -999 ? O2 GOL D1181 >GLU.C 76 -62.65 -25.32 14.28 -61.97 -25.69 12.33 -62.31 -25.51 13.31 2 0 18.88 -999 ? CA CA C1181 >ARG.C 77 -57.96 -19.37 18.15 -57.76 -17.78 20.77 -57.86 -18.58 19.46 2 0 17.10 -999 ? CA CA C1181 >PRO.C 78 -64.21 -17.10 17.72 -63.33 -17.72 15.76 -63.77 -17.41 16.74 3 0 13.85 -999 ? CA CA C1181 >LEU.C 79 -61.98 -13.49 12.70 -60.61 -12.01 11.84 -61.30 -12.75 12.27 3 0 12.06 -999 ? O ACT C1183 >LEU.C 80 -61.97 -11.97 18.54 -62.53 -13.54 19.93 -62.25 -12.76 19.24 3 0 13.90 -999 ? O ACT C1183 >SER.C 81 -63.54 -8.06 16.78 -64.93 -6.14 16.29 -64.23 -7.10 16.53 2 0 8.07 -999 ? CH3 ACT C1183 >VAL^C 82 -60.40 -6.50 18.34 -59.35 -7.77 19.81 -59.87 -7.14 19.08 3 0 8.90 -999 ? O ACT C1183 >ILE^C 83 -59.95 -2.07 17.10 -60.77 -1.91 16.64 -60.36 -1.99 16.87 3 0 -4.16 -999 ? CH3 ACT C1183s >ASP^C 84 -54.24 -1.68 17.50 -52.62 -0.62 18.33 -53.43 -1.15 17.92 2 0 7.78 -999 ? OXT ACT C1183 >PHE.C 85 -58.50 3.33 20.88 -59.68 5.87 21.16 -59.09 4.60 21.02 3 0 8.11 -999 ? OXT ACT C1183 >ASN.C 86 -52.20 2.48 20.90 -52.01 2.64 23.02 -52.11 2.56 21.96 2 0 11.54 -999 ? OXT ACT C1183 >ALA.C 87 -52.69 3.10 16.59 -52.21 1.83 15.91 -52.45 2.47 16.25 2 0 6.87 -999 ? OXT ACT C1183 >SER.C 88 -56.10 4.45 15.54 -58.39 5.12 16.05 -57.25 4.78 15.79 2 0 4.69 -999 ? OXT ACT C1183 >SER.C 89 -56.55 7.81 13.84 -56.09 7.66 11.51 -56.32 7.74 12.67 2 0 7.45 -999 ? OXT ACT C1183 >PHE.C 90 -61.01 7.09 15.23 -61.82 6.22 12.71 -61.41 6.65 13.97 3 0 6.24 -999 ? OXT ACT C1183 >TYR.C 91 -54.93 7.42 20.88 -53.88 7.33 23.48 -54.41 7.38 22.18 3 0 11.38 -999 ? OXT ACT C1183 >PRO.C 92 -58.41 10.10 23.09 -57.44 10.70 21.14 -57.92 10.40 22.12 3 0 12.58 -999 ? OXT ACT C1183 >LYS.C 93 -54.93 14.23 21.55 -53.38 19.08 19.32 -54.16 16.65 20.44 2 0 19.61 -999 ? OXT ACT C1183 >ASN.C 94 -57.57 16.60 24.50 -56.01 17.74 25.39 -56.79 17.17 24.95 2 0 20.53 -999 ? OXT ACT C1183 >ASP~C 95 -60.88 17.87 20.49 -62.76 18.57 19.77 -61.82 18.22 20.13 2 0 18.98 -999 ? OXT ACT C1183 >ALA~C 96 -62.09 13.83 23.14 -62.11 13.46 24.60 -62.10 13.64 23.87 2 0 16.84 -999 ? OXT ACT C1183 >ASN~C 97 -66.13 16.32 22.33 -66.34 16.55 24.44 -66.23 16.43 23.38 2 0 20.34 -999 ? OXT ACT C1183 >LEU~C 98 -63.32 15.67 17.65 -63.68 17.13 16.05 -63.50 16.40 16.85 3 0 16.39 -999 ? OXT ACT C1183 >SER~C 99 -62.74 11.40 18.89 -60.36 11.40 19.38 -61.55 11.40 19.13 2 0 11.91 -999 ? OXT ACT C1183 >LEU~C 100 -66.41 10.56 22.00 -67.73 9.48 23.31 -67.07 10.02 22.66 3 0 15.16 -999 ? CH3 ACT C1183 >ALA~C 101 -68.27 11.18 18.01 -68.57 12.62 17.61 -68.42 11.90 17.81 2 0 15.51 -999 ? CH3 ACT C1183 >THR~C 102 -66.13 9.63 15.26 -64.66 10.40 13.87 -65.40 10.02 14.56 2 0 11.11 -999 ? OXT ACT C1183 >ILE~C 103 -65.07 6.27 18.62 -64.13 5.88 19.53 -64.60 6.07 19.08 3 0 9.29 -999 ? CH3 ACT C1183 >GLU~C 104 -69.83 7.02 20.20 -71.35 7.54 21.51 -70.59 7.28 20.85 2 0 15.46 -999 ? CH3 ACT C1183 >MET~C 105 -70.36 6.56 14.22 -68.22 8.22 11.76 -69.29 7.39 12.99 2 0 11.25 -999 ? CH3 ACT C1183 >THR~C 106 -67.58 4.27 12.99 -65.51 4.70 12.57 -66.55 4.49 12.78 2 0 6.77 -999 ? CH3 ACT C1183 >TYR~C 107 -65.75 1.19 15.99 -63.10 1.53 15.19 -64.42 1.36 15.59 3 0 -4.63 -999 ? CH3 ACT C1183s >GLN.C 108 -71.89 -1.99 13.57 -73.06 -3.60 12.82 -72.47 -2.79 13.20 2 0 12.90 -999 ? CH3 ACT C1183 >ASN.C 109 -71.64 -2.74 19.53 -72.13 -3.21 21.54 -71.89 -2.97 20.54 2 0 14.51 -999 ? CH3 ACT C1183 >PRO^C 110 -67.97 1.82 20.25 -68.08 -0.45 20.47 -68.03 0.69 20.36 3 0 10.26 -999 ? CH3 ACT C1183 >MET^C 111 -66.04 -1.16 24.25 -66.10 -4.26 27.10 -66.07 -2.71 25.67 2 0 15.48 -999 ? CH3 ACT C1183 >PHE^C 112 -63.08 2.89 24.88 -63.85 4.75 22.97 -63.47 3.82 23.92 3 0 11.58 -999 ? OXT ACT C1183 >TRP^C 113 -58.55 -3.99 28.42 -58.40 -7.65 26.93 -58.48 -5.82 27.67 3 0 15.53 -999 ? OXT ACT C1183 >HIS^C 114 -56.52 2.47 29.05 -54.69 3.49 29.13 -55.60 2.98 29.09 3 0 15.77 -999 ? OXT ACT C1183 >VAL^C 115 -54.45 -0.99 30.41 -53.78 -3.10 30.27 -54.12 -2.05 30.34 3 0 15.88 -999 ? CA CA C1184 >GLY.C 116 -52.37 1.22 32.72 -53.07 1.55 32.51 -52.72 1.38 32.62 1 0 15.57 -999 ? CA CA C1184 >LYS.C 117 -51.85 4.98 33.11 -46.06 6.47 33.64 -48.96 5.72 33.37 2 0 21.58 -999 ? CA CA C1184 >ILE.C 118 -55.61 7.67 31.78 -57.02 7.49 31.77 -56.32 7.58 31.77 3 0 16.09 -999 ? CA CA C1184 >GLU.C 119 -49.67 7.91 30.13 -48.14 6.69 29.28 -48.90 7.30 29.71 2 0 19.60 -999 ? OXT ACT C1183 >ASN~C 120 -53.50 12.76 27.01 -54.66 11.53 25.76 -54.08 12.14 26.39 2 0 16.45 -999 ? OXT ACT C1183 >GLU~C 121 -56.38 16.29 30.73 -57.04 15.33 32.51 -56.71 15.81 31.62 2 0 20.76 -999 ? CA CA C1184 >GLY~C 122 -58.64 13.32 25.99 -58.38 12.82 26.62 -58.51 13.07 26.31 1 0 17.34 -999 ? OXT ACT C1183 >LEU~C 123 -56.96 8.82 26.82 -56.82 6.64 26.57 -56.89 7.73 26.69 3 0 14.68 -999 ? OXT ACT C1183 >LYS~C 124 -59.48 10.16 30.27 -60.09 12.26 35.28 -59.78 11.21 32.78 2 0 15.99 -999 ? CA CA C1184 >THR~C 125 -62.59 11.94 29.01 -63.02 13.96 28.42 -62.81 12.95 28.72 2 0 20.02 -999 ? OXT ACT C1183 >ILE~C 126 -62.74 8.65 25.42 -62.57 8.56 24.17 -62.65 8.60 24.79 3 0 13.96 -999 ? OXT ACT C1183 >LEU~C 127 -61.42 6.04 29.86 -59.97 4.92 28.53 -60.70 5.48 29.20 3 0 15.52 -999 ? CA CA C1184 >LEU~C 128 -64.95 9.71 31.97 -63.60 9.87 33.67 -64.28 9.79 32.82 3 0 14.91 -999 ? CA CA C1184 >SER.C 129 -67.82 8.32 28.64 -67.24 7.07 26.67 -67.53 7.70 27.66 2 0 16.54 -999 ? CH3 ACT C1183 >LYS.C 130 -71.03 6.26 28.36 -70.68 9.47 26.70 -70.85 7.87 27.53 2 0 19.26 -999 ? CH3 ACT C1183 >ILE.C 131 -68.07 4.05 25.11 -68.66 3.75 23.84 -68.36 3.90 24.48 3 0 14.16 -999 ? CH3 ACT C1183 >PRO.C 132 -70.57 -0.28 26.21 -69.06 0.90 27.34 -69.82 0.31 26.78 3 0 16.34 -999 ? CH3 ACT C1183 >SER^C 133 -65.34 -0.23 29.09 -65.38 1.19 31.06 -65.36 0.48 30.08 2 0 12.04 -999 ? CA CA C1184 >PHE^C 134 -62.23 -5.37 30.24 -61.37 -7.83 31.34 -61.80 -6.60 30.79 3 0 13.25 -999 ? CA CA C1184 >LEU^C 135 -60.98 0.60 33.03 -61.86 2.19 31.85 -61.42 1.39 32.44 3 0 10.97 -999 ? CA CA C1184 >TRP^C 136 -58.63 -4.50 32.58 -56.34 -7.62 31.79 -57.49 -6.06 32.18 3 0 13.29 -999 ? CA CA C1184 >LEU^C 137 -57.22 1.94 36.20 -58.39 2.78 34.63 -57.81 2.36 35.41 3 0 10.28 -999 ? CA CA C1184 >PHE.C 138 -51.47 1.75 37.48 -49.88 0.19 35.78 -50.67 0.97 36.63 3 0 14.85 -999 ? CA CA C1184 >GLU.C 139 -54.75 6.31 40.61 -53.48 6.42 38.96 -54.11 6.36 39.78 2 0 13.61 -999 ? CA CA C1184 >GLU.C 140 -61.62 1.99 42.01 -62.64 1.68 43.84 -62.13 1.84 42.93 2 0 3.48 -999 ? CA CA C1184s >LEU.C 141 -60.53 6.49 37.07 -58.53 7.36 37.60 -59.53 6.93 37.34 3 0 10.84 -999 ? CA CA C1184 >LYS.C 142 -64.58 4.07 38.03 -66.58 4.11 31.93 -65.58 4.09 34.98 2 0 12.38 -999 ? CA CA C1184 >GLU.C 143 -67.43 0.61 42.53 -66.07 0.84 44.19 -66.75 0.73 43.36 2 0 3.32 -999 ? CA CA C1184s >ASP.C 144 -67.28 -1.35 37.26 -69.02 -1.78 38.35 -68.15 -1.57 37.80 2 0 6.69 -999 ? CA CA C1184 >CYH.C 145 -62.51 -1.53 37.02 -61.06 0.37 38.52 -61.79 -0.58 37.77 2 0 5.42 -999 ? CA CA C1184 >LEU^C 146 -59.22 -4.94 36.47 -58.09 -6.73 36.70 -58.65 -5.83 36.59 3 0 9.32 -999 ? CA CA C1184 >LEU^C 147 -57.68 -1.91 41.33 -58.71 -0.07 41.69 -58.19 -0.99 41.51 3 0 5.95 -999 ? CA CA C1184 >LEU.C 148 -52.96 -2.85 37.85 -53.31 -3.79 35.95 -53.13 -3.32 36.90 3 0 12.50 -999 ? CA CA C1184 >LYS.C 149 -50.86 -2.28 41.74 -55.49 -4.16 43.55 -53.17 -3.22 42.64 2 0 9.01 -999 ? CA CA C1184 >GLU.C 150 -48.03 2.43 38.96 -48.57 4.48 38.82 -48.30 3.45 38.89 2 0 16.95 -999 ? CA CA C1184 >HIS.C 151 -44.62 2.10 41.60 -44.48 3.82 40.41 -44.55 2.96 41.00 3 0 19.99 -999 ? CA CA C1184 >ASP.C 152 -47.03 -4.77 41.79 -47.13 -6.84 42.24 -47.08 -5.81 42.01 2 0 13.45 -999 ? O3 GOL D1181 >SER.C 153 -42.49 -5.86 41.01 -41.72 -7.33 42.77 -42.10 -6.59 41.89 2 0 12.45 -999 ? O3 GOL D1181 >LEU~C 154 -45.25 -9.79 40.76 -43.93 -11.17 41.77 -44.59 -10.48 41.26 3 0 9.28 -999 ? O3 GOL D1181 >LEU~C 155 -46.93 -4.99 37.50 -48.50 -3.75 36.63 -47.71 -4.37 37.06 3 0 14.36 -999 ? O3 GOL D1181 >ASP~C 156 -44.46 -7.83 33.81 -43.76 -5.84 33.54 -44.11 -6.84 33.68 2 0 12.06 -999 ? O3 GOL D1181 >TYR~C 157 -44.58 -12.33 36.53 -41.80 -12.65 36.66 -43.19 -12.49 36.59 3 0 5.26 -999 ? O3 GOL D1181 >LYS~C 158 -50.05 -10.42 36.79 -49.63 -8.70 42.89 -49.84 -9.56 39.84 2 0 13.55 -999 ? O3 GOL D1181 >LEU~C 159 -50.12 -7.78 32.65 -50.39 -5.65 32.94 -50.26 -6.72 32.80 3 0 13.80 -999 ? O3 GOL D1181 >LEU~C 160 -48.88 -12.94 31.66 -47.29 -12.69 30.23 -48.08 -12.81 30.94 3 0 8.91 -999 ? O3 GOL D1181 >GLN~C 161 -52.62 -15.10 36.59 -52.24 -15.21 38.68 -52.43 -15.16 37.63 2 0 9.18 -999 ? C1 GOL D1181 >LEU~C 162 -55.28 -10.26 34.41 -55.73 -9.48 36.37 -55.50 -9.87 35.39 3 0 14.12 -999 ? CA CA C1184 >PHE~C 163 -54.46 -12.01 27.88 -55.42 -12.67 25.34 -54.94 -12.34 26.61 3 0 16.31 -999 ? C1 GOL D1181 >LYS~C 164 -54.90 -15.84 30.45 -50.06 -17.66 28.47 -52.48 -16.75 29.46 2 0 9.98 -999 ? C2 GOL D1181 >LEU~C 165 -57.96 -15.03 34.16 -59.58 -15.24 35.60 -58.77 -15.14 34.88 3 0 15.02 -999 ? C1 GOL D1181 >PHE~C 166 -60.33 -11.66 28.96 -62.13 -10.76 26.98 -61.23 -11.21 27.97 3 0 15.64 -999 ? CA CA C1181 >GLU~C 167 -56.84 -16.73 27.22 -55.09 -16.98 26.08 -55.97 -16.86 26.65 2 0 15.18 -999 ? C1 GOL D1181 >ASN~C 168 -59.24 -19.55 30.22 -57.56 -20.59 29.47 -58.40 -20.07 29.85 2 0 14.78 -999 ? C1 GOL D1181 >ALA~C 169 -63.19 -17.38 30.51 -63.27 -16.18 31.48 -63.23 -16.78 31.00 2 0 12.75 -999 ? CA CA C1181 >LEU~C 170 -63.20 -15.10 26.22 -63.88 -14.01 24.45 -63.54 -14.56 25.33 3 0 11.77 -999 ? CA CA C1181 >PHE~C 171 -62.00 -19.06 23.44 -61.30 -17.53 21.20 -61.65 -18.29 22.32 3 0 12.91 -999 ? CA CA C1181 >SER~C 172 -65.29 -21.34 28.06 -63.76 -21.94 29.81 -64.52 -21.64 28.93 2 0 11.19 -999 ? CA CA C1181 >VAL~C 173 -68.43 -19.34 27.44 -69.06 -17.29 28.23 -68.75 -18.32 27.84 3 0 5.89 -999 ? CA CA C1181 >LEU~C 174 -67.01 -18.56 22.75 -66.83 -16.41 22.37 -66.92 -17.49 22.56 3 0 8.13 -999 ? CA CA C1181 >TYR~C 175 -65.38 -23.09 22.41 -63.58 -22.29 20.40 -64.48 -22.69 21.40 3 0 10.79 -999 ? CA CA C1181 >ASN.C 176 -71.77 -24.28 24.84 -73.29 -22.94 24.12 -72.53 -23.61 24.48 2 0 3.44 -999 ? CA CA C1181s >LYS.C 177 -68.52 -25.10 28.52 -62.74 -26.81 28.79 -65.63 -25.96 28.66 2 0 13.52 -999 ? CA CA C1181 >VAL.C 178 -69.98 -22.72 31.09 -68.09 -21.77 31.79 -69.03 -22.24 31.44 3 0 7.90 -999 ? CA CA C1181 >THR.C 179 -73.10 -20.61 31.39 -74.58 -22.14 31.75 -73.84 -21.37 31.57 2 0 6.44 -999 ? CA CA C1181 >LEU.C 180 -72.29 -15.91 32.26 -71.63 -14.61 30.66 -71.96 -15.26 31.46 3 0 7.69 -999 ? CA CA C1181 >LYS.D 2 -70.92 -25.33 35.01 -67.02 -26.54 39.55 -68.97 -25.93 37.28 2 0 16.82 -999 ? CA CA C1181 >ASN~D 3 -72.61 -21.52 37.54 -72.85 -19.41 37.73 -72.73 -20.47 37.64 2 0 12.07 -999 ? CA CA C1181 >PHE~D 4 -68.78 -16.94 34.22 -66.66 -15.22 33.70 -67.72 -16.08 33.96 3 0 11.06 -999 ? CA CA C1181 >TYR~D 5 -70.23 -15.79 38.72 -70.77 -13.51 37.21 -70.50 -14.65 37.97 3 0 13.80 -999 ? CA CA C1181 >ASP~D 6 -69.27 -22.53 40.17 -70.96 -22.24 41.39 -70.12 -22.38 40.78 2 0 16.12 -999 ? CA CA C1181 >TRP~D 7 -64.48 -23.47 34.59 -63.03 -20.04 33.30 -63.75 -21.75 33.95 3 0 13.25 -999 ? CA CA C1181 >ILE~D 8 -64.38 -17.62 37.17 -64.35 -16.24 37.11 -64.36 -16.93 37.14 3 0 15.24 -999 ? CA CA C1181 >LYS~D 9 -63.24 -19.53 41.29 -64.69 -19.90 45.47 -63.97 -19.71 43.38 2 0 18.78 -999 ? CA CA C1184 >GLU~D 10 -62.08 -25.49 39.96 -63.41 -27.01 39.21 -62.74 -26.25 39.59 2 0 18.53 -999 ? CA CA C1181 >PHE~D 11 -59.47 -20.89 35.24 -57.56 -20.55 33.22 -58.51 -20.72 34.23 3 0 14.07 -999 ? C1 GOL D1181 >VAL~D 12 -58.25 -19.00 39.51 -58.79 -16.93 40.00 -58.52 -17.97 39.75 3 0 14.32 -999 ? C1 GOL D1181 >ARG~D 13 -58.59 -23.71 45.22 -61.26 -24.52 43.91 -59.92 -24.11 44.57 2 0 18.52 -999 ? O1 GOL D1181 >ASP~D 14 -56.61 -24.66 39.06 -57.85 -26.16 39.97 -57.23 -25.41 39.51 2 0 14.81 -999 ? O1 GOL D1181 >GLN~D 15 -53.83 -19.14 36.40 -54.76 -17.32 35.80 -54.29 -18.23 36.10 2 0 10.48 -999 ? C1 GOL D1181 >GLY~D 16 -52.16 -19.77 41.01 -52.26 -20.58 40.82 -52.21 -20.18 40.92 1 0 8.64 -999 ? C1 GOL D1181 >GLU~D 17 -53.10 -23.91 44.12 -54.66 -25.27 44.77 -53.88 -24.59 44.44 2 0 13.36 -999 ? O1 GOL D1181 >PHE~D 18 -49.53 -25.28 36.78 -47.96 -26.67 34.88 -48.74 -25.98 35.83 3 0 7.09 -999 ? O1 GOL D1181 >ILE~D 19 -48.22 -19.61 39.03 -48.43 -18.32 38.57 -48.33 -18.97 38.80 3 0 -4.34 -999 ? C1 GOL D1181s >ALA~D 20 -46.53 -21.77 42.55 -47.47 -21.94 43.75 -47.00 -21.85 43.15 2 0 6.95 -999 ? O1 GOL D1181 >GLN~D 21 -46.13 -27.82 41.08 -47.36 -29.14 39.96 -46.75 -28.48 40.52 2 0 9.15 -999 ? O1 GOL D1181 >GLN~D 22 -44.97 -25.68 37.01 -43.75 -27.45 37.12 -44.36 -26.57 37.06 2 0 -6.64 -999 ? O1 GOL D1181s >SER~D 23 -42.08 -21.40 40.30 -42.34 -21.31 42.73 -42.21 -21.35 41.51 2 0 -5.37 -999 ? O1 GOL D1181s >GLY~D 24 -38.72 -23.09 41.13 -39.06 -23.23 40.41 -38.89 -23.16 40.77 1 0 5.25 -999 ? CA CA C1182 >TRP~D 25 -39.59 -21.43 36.34 -37.18 -20.87 33.24 -38.39 -21.15 34.79 3 0 -4.53 -999 ? O2 GOL D1181s >LEU~D 26 -35.09 -20.40 37.03 -33.99 -19.24 35.55 -34.54 -19.82 36.29 3 0 8.11 -999 ? O3 GOL D1181 >GLU~D 27 -34.10 -22.57 42.20 -34.50 -23.02 44.23 -34.30 -22.80 43.21 2 0 2.91 -999 ? CA CA C1182s >LEU~D 28 -34.67 -27.69 38.10 -35.40 -28.75 39.86 -35.03 -28.22 38.98 3 0 8.64 -999 ? CA CA C1182 >GLU~D 29 -32.61 -23.54 32.68 -33.42 -24.92 31.28 -33.02 -24.23 31.98 2 0 11.05 -999 ? O2 GOL D1181 >ARG.D 30 -29.54 -28.66 35.64 -30.45 -28.64 38.59 -30.00 -28.65 37.12 2 0 11.01 -999 ? CA CA C1182 >SER.D 31 -28.89 -24.92 29.95 -30.70 -23.38 29.44 -29.80 -24.15 29.70 2 0 13.74 -999 ? O2 GOL D1181 >SER~D 32 -26.01 -22.49 30.36 -24.18 -23.98 29.86 -25.10 -23.23 30.11 2 0 19.72 -999 ? O2 GOL D1181 >TYR~D 33 -29.64 -19.70 33.03 -29.80 -20.31 35.72 -29.72 -20.01 34.37 3 0 12.91 -999 ? O3 GOL D1181 >ALA~D 34 -25.61 -17.93 33.60 -25.08 -18.60 34.88 -25.35 -18.27 34.24 2 0 16.85 -999 ? CA CA C1182 >LYS~D 35 -22.65 -18.16 31.19 -20.45 -22.10 27.38 -21.55 -20.13 29.29 2 0 23.81 -999 ? O2 GOL D1181 >LEU~D 36 -25.97 -17.48 27.72 -25.71 -19.44 26.74 -25.84 -18.46 27.23 3 0 18.59 -999 ? O3 GOL D1181 >ILE~D 37 -26.82 -13.96 31.70 -27.95 -13.68 32.52 -27.39 -13.82 32.11 3 0 15.84 -999 ? O3 GOL D1181 >ALA~D 38 -22.38 -13.17 31.47 -21.46 -14.12 32.22 -21.92 -13.65 31.84 2 0 21.45 -999 ? O3 GOL D1181 >GLN~D 39 -20.15 -15.54 27.47 -20.25 -17.32 26.30 -20.20 -16.43 26.89 2 0 23.71 -999 ? CH3 ACT A1182 >THR~D 40 -23.95 -10.93 26.82 -25.97 -11.31 26.17 -24.96 -11.12 26.50 2 0 17.62 -999 ? CH3 ACT A1182 >ILE~D 41 -23.23 -8.76 31.14 -23.71 -8.57 32.47 -23.47 -8.67 31.80 3 0 21.24 -999 ? O3 GOL D1181 >SER~D 42 -19.49 -8.50 28.63 -18.22 -10.13 29.88 -18.86 -9.32 29.25 2 0 22.67 -999 ? CH3 ACT A1182 >HIS~D 43 -21.76 -7.99 22.88 -22.00 -7.32 20.90 -21.88 -7.66 21.89 3 0 14.01 -999 ? CH3 ACT A1182 >VAL~D 44 -22.58 -4.76 26.27 -24.63 -4.50 27.05 -23.60 -4.63 26.66 3 0 15.50 -999 ? CH3 ACT A1182 >LEU~D 45 -19.00 -4.24 29.60 -19.71 -4.12 31.65 -19.36 -4.18 30.63 3 0 20.71 -999 ? CH3 ACT A1182 >ASN~D 46 -16.96 -5.07 24.82 -15.16 -4.92 23.63 -16.06 -5.00 24.23 2 0 18.62 -999 ? CH3 ACT A1182 >GLY.D 47 -19.61 -1.27 23.53 -19.70 -2.10 23.45 -19.65 -1.69 23.49 1 0 14.54 -999 ? CH3 ACT A1182 >GLY.D 48 -21.37 -4.03 21.60 -21.75 -3.45 22.02 -21.56 -3.74 21.81 1 0 12.54 -999 ? CH3 ACT A1182 >SER^D 49 -24.82 -3.74 20.02 -24.43 -3.84 17.62 -24.63 -3.79 18.82 2 0 7.93 -999 ? CH3 ACT A1182 >LEU^D 50 -28.47 -6.26 21.86 -27.45 -7.16 23.66 -27.96 -6.71 22.76 3 0 11.80 -999 ? CH3 ACT A1182 >LEU^D 51 -29.09 -7.29 16.02 -27.53 -6.11 15.07 -28.31 -6.70 15.54 3 0 7.25 -999 ? CH3 ACT A1182 >VAL^D 52 -32.95 -8.43 18.76 -33.52 -7.91 20.86 -33.24 -8.17 19.81 3 0 10.48 -999 ? O ACT A1182 >SER^D 53 -35.31 -10.69 16.86 -33.78 -12.33 15.90 -34.55 -11.51 16.38 2 0 12.18 -999 ? O ACT A1182 >ALA^D 54 -38.21 -12.99 17.72 -39.03 -12.34 18.84 -38.62 -12.67 18.28 2 0 15.02 -999 ? O ACT A1182 >ASP.D 55 -40.72 -16.97 16.40 -41.69 -17.43 18.23 -41.20 -17.20 17.31 2 0 17.43 -999 ? O2 GOL D1181 >SER.D 56 -44.06 -14.32 15.00 -45.00 -16.31 13.86 -44.53 -15.32 14.43 2 0 20.40 -999 ? O ACT A1182 >SER.D 57 -45.75 -15.36 18.26 -46.91 -17.39 17.79 -46.33 -16.37 18.03 2 0 18.28 -999 ? O2 GOL D1181 >ARG~D 58 -43.20 -16.00 21.95 -43.92 -18.81 20.94 -43.56 -17.40 21.44 2 0 14.52 -999 ? O2 GOL D1181 >HIS~D 59 -44.08 -8.12 17.12 -43.68 -6.15 16.50 -43.88 -7.14 16.81 3 0 14.28 -999 ? O ACT A1182 >TRP~D 60 -46.06 -12.02 22.58 -44.46 -12.31 26.18 -45.26 -12.17 24.38 3 0 12.96 -999 ? O3 GOL D1181 >PHE~D 61 -40.24 -11.67 25.11 -38.18 -12.04 26.99 -39.21 -11.86 26.05 3 0 11.72 -999 ? O3 GOL D1181 >LEU~D 62 -39.56 -8.35 19.75 -38.00 -7.51 18.39 -38.78 -7.93 19.07 3 0 11.93 -999 ? O ACT A1182 >ASN~D 63 -42.87 -5.02 21.89 -43.66 -3.06 22.11 -43.26 -4.04 22.00 2 0 14.84 -999 ? OXT ACT A1182 >TYR~D 64 -41.23 -7.21 27.99 -40.99 -7.39 30.78 -41.11 -7.30 29.39 3 0 12.19 -999 ? O3 GOL D1181 >ILE~D 65 -36.40 -7.21 24.61 -35.55 -8.30 24.35 -35.97 -7.76 24.48 3 0 14.16 -999 ? OXT ACT A1182 >LEU~D 66 -37.31 -2.63 22.24 -36.67 -3.55 20.41 -36.99 -3.09 21.32 3 0 9.76 -999 ? OXT ACT A1182 >SER~D 67 -39.02 -0.93 25.94 -41.07 -2.17 26.53 -40.05 -1.55 26.23 2 0 15.83 -999 ? OXT ACT A1182 >ASN~D 68 -37.72 -3.74 29.70 -39.65 -4.05 30.55 -38.68 -3.89 30.13 2 0 14.78 -999 ? O3 GOL D1181 >LEU~D 69 -33.20 -2.71 26.93 -32.37 -4.77 27.45 -32.79 -3.74 27.19 3 0 13.98 -999 ? OXT ACT A1182 >ASN~D 70 -33.95 2.02 25.56 -31.86 1.70 25.35 -32.91 1.86 25.45 2 0 11.36 -999 ? OXT ACT A1182 >PRO.D 71 -36.05 2.95 30.71 -36.86 2.69 28.65 -36.45 2.82 29.68 3 0 16.45 -999 ? OXT ACT A1182 >LYS.D 72 -39.21 6.22 27.81 -43.32 9.34 25.63 -41.27 7.78 26.72 2 0 18.40 -999 ? OXT ACT A1182 >ASP.D 73 -38.49 8.41 31.97 -37.49 9.71 33.33 -37.99 9.06 32.65 2 0 21.98 -999 ? OXT ACT A1182 >LEU.D 74 -32.85 7.09 30.27 -32.29 6.01 28.49 -32.57 6.55 29.38 3 0 16.40 -999 ? OXT ACT A1182 >LYS.D 75 -33.47 8.69 34.45 -37.51 6.70 37.91 -35.49 7.69 36.18 2 0 24.88 -999 ? O3 GOL D1181 >GLU.D 76 -29.91 8.45 37.88 -28.84 10.23 37.63 -29.37 9.34 37.75 2 0 25.58 -999 ? OXT ACT A1182 >ARG.D 77 -32.91 2.84 33.04 -33.00 -0.18 32.51 -32.95 1.33 32.78 2 0 18.56 -999 ? OXT ACT A1182 >PRO.D 78 -26.68 2.40 30.75 -27.54 4.48 30.63 -27.11 3.44 30.69 3 0 17.53 -999 ? OXT ACT A1182 >LEU.D 79 -28.73 5.69 25.51 -30.08 5.92 23.82 -29.40 5.80 24.67 3 0 12.00 -999 ? OXT ACT A1182 >LEU.D 80 -28.73 -0.26 26.34 -28.33 -0.88 28.36 -28.53 -0.57 27.35 3 0 13.82 -999 ? OXT ACT A1182 >SER.D 81 -27.23 -0.14 22.07 -25.72 -0.46 20.20 -26.47 -0.30 21.13 2 0 8.08 -999 ? CH3 ACT A1182 >VAL^D 82 -30.32 -2.20 21.21 -31.39 -3.09 22.93 -30.85 -2.64 22.07 3 0 8.84 -999 ? OXT ACT A1182 >ILE^D 83 -30.68 -2.73 16.70 -29.78 -2.36 15.86 -30.23 -2.55 16.28 3 0 -4.00 -999 ? CH3 ACT A1182s >ASP^D 84 -36.44 -3.37 16.46 -38.06 -4.61 15.80 -37.25 -3.99 16.13 2 0 8.02 -999 ? O ACT A1182 >PHE.D 85 -32.09 -8.44 13.22 -30.90 -9.74 11.02 -31.50 -9.09 12.12 3 0 8.31 -999 ? O ACT A1182 >ASN.D 86 -38.34 -8.19 13.90 -38.52 -10.20 14.65 -38.43 -9.20 14.27 2 0 11.74 -999 ? O ACT A1182 >ALA.D 87 -37.91 -4.38 11.75 -38.33 -3.29 12.71 -38.12 -3.84 12.23 2 0 6.96 -999 ? O ACT A1182 >SER.D 88 -34.51 -3.89 10.07 -32.18 -4.55 9.73 -33.34 -4.22 9.90 2 0 4.67 -999 ? O ACT A1182 >SER.D 89 -34.06 -3.63 6.31 -34.52 -1.34 5.65 -34.29 -2.49 5.98 2 0 7.37 -999 ? O ACT A1182 >PHE.D 90 -29.59 -4.57 7.52 -28.77 -1.89 7.30 -29.18 -3.23 7.41 3 0 6.22 -999 ? O ACT A1182 >TYR.D 91 -35.52 -10.04 9.46 -36.46 -12.45 10.54 -35.99 -11.25 10.00 3 0 11.52 -999 ? O ACT A1182 >PRO.D 92 -32.19 -13.09 7.87 -33.10 -11.49 6.54 -32.65 -12.29 7.20 3 0 12.67 -999 ? O ACT A1182 >LYS.D 93 -36.07 -12.96 3.87 -39.26 -8.07 6.08 -37.66 -10.52 4.97 2 0 12.21 -999 ? O ACT A1182 >ASN~D 97 -26.32 -14.61 3.13 -27.44 -14.01 4.83 -26.88 -14.31 3.98 2 0 15.89 -999 ? O ACT A1182 >LEU~D 98 -27.20 -9.30 0.47 -26.87 -9.19 -1.66 -27.03 -9.25 -0.59 3 0 16.29 -999 ? O ACT A1182 >SER~D 99 -27.80 -9.54 4.93 -30.15 -10.16 4.86 -28.98 -9.85 4.90 2 0 12.19 -999 ? O ACT A1182 >LEU~D 100 -24.22 -12.21 6.84 -22.83 -12.28 8.52 -23.52 -12.25 7.68 3 0 14.86 -999 ? CH3 ACT A1182 >ALA~D 101 -22.24 -8.69 4.80 -21.96 -8.85 3.32 -22.10 -8.77 4.06 2 0 15.44 -999 ? CH3 ACT A1182 >THR~D 102 -24.39 -5.56 5.17 -25.97 -4.66 3.97 -25.18 -5.11 4.57 2 0 11.03 -999 ? O ACT A1182 >ILE~D 103 -25.43 -7.38 9.60 -26.41 -8.04 10.31 -25.92 -7.71 9.95 3 0 9.25 -999 ? CH3 ACT A1182 >GLU~D 104 -20.69 -9.16 9.30 -19.21 -10.64 9.35 -19.95 -9.90 9.32 2 0 15.52 -999 ? CH3 ACT A1182 >MET~D 105 -20.33 -3.52 7.34 -20.72 -2.00 3.50 -20.53 -2.76 5.42 2 0 13.46 -999 ? CH3 ACT A1182 >THR~D 106 -22.78 -1.26 9.14 -24.95 -1.30 8.67 -23.86 -1.28 8.91 2 0 6.79 -999 ? CH3 ACT A1182 >TYR~D 107 -24.79 -2.98 13.13 -27.46 -2.42 12.49 -26.12 -2.70 12.81 3 0 -4.59 -999 ? CH3 ACT A1182s >GLN.D 108 -18.62 0.44 15.06 -17.58 1.80 16.32 -18.10 1.12 15.69 2 0 12.73 -999 ? CH3 ACT A1182 >ASN.D 109 -18.98 -4.62 18.28 -18.54 -6.24 19.59 -18.76 -5.43 18.94 2 0 14.36 -999 ? CH3 ACT A1182 >PRO^D 110 -22.64 -7.23 14.50 -22.56 -6.43 16.61 -22.60 -6.83 15.56 3 0 10.21 -999 ? CH3 ACT A1182 >MET^D 111 -24.56 -9.67 18.69 -24.51 -11.07 22.67 -24.53 -10.37 20.68 2 0 15.49 -999 ? CH3 ACT A1182 >PHE^D 112 -27.50 -11.88 15.20 -26.69 -10.92 12.69 -27.09 -11.40 13.94 3 0 11.70 -999 ? O ACT A1182 >TRP^D 113 -31.99 -12.54 22.94 -32.28 -9.68 25.64 -32.14 -11.11 24.29 3 0 15.67 -999 ? O ACT A1182 >HIS^D 114 -34.02 -15.52 17.15 -35.80 -16.25 16.32 -34.91 -15.88 16.73 3 0 15.97 -999 ? O ACT A1182 >VAL^D 115 -36.13 -15.57 20.89 -36.85 -14.63 22.69 -36.49 -15.10 21.79 3 0 15.36 -999 ? O3 GOL D1181 >GLY.D 116 -38.19 -18.52 19.73 -37.45 -18.49 19.35 -37.82 -18.51 19.54 1 0 16.41 -999 ? O2 GOL D1181 >LYS.D 117 -38.62 -20.39 16.44 -44.46 -21.28 15.46 -41.54 -20.84 15.95 2 0 19.88 -999 ? O2 GOL D1181 >ILE.D 118 -34.85 -20.32 13.47 -33.43 -20.23 13.59 -34.14 -20.28 13.53 3 0 19.64 -999 ? O ACT A1182 >GLU.D 119 -40.78 -18.80 12.54 -42.26 -17.44 13.18 -41.52 -18.12 12.86 2 0 19.65 -999 ? O ACT A1182 >ASN~D 120 -37.12 -17.90 6.86 -35.82 -16.19 6.99 -36.47 -17.05 6.93 2 0 16.83 -999 ? O ACT A1182 >GLU~D 121 -33.90 -22.59 5.14 -32.85 -23.80 6.52 -33.37 -23.19 5.83 2 0 23.78 -999 ? O ACT A1182 >GLY~D 122 -32.03 -16.93 5.96 -32.26 -17.35 6.67 -32.14 -17.14 6.32 1 0 17.40 -999 ? O ACT A1182 >LEU~D 123 -33.63 -16.15 10.50 -33.77 -15.05 12.40 -33.70 -15.60 11.45 3 0 14.95 -999 ? O ACT A1182 >LYS~D 124 -30.92 -19.78 10.48 -31.91 -25.53 10.85 -31.42 -22.65 10.66 2 0 24.78 -999 ? O ACT A1182 >THR~D 125 -27.89 -19.06 8.30 -27.52 -19.27 6.15 -27.71 -19.17 7.22 2 0 20.00 -999 ? O ACT A1182 >ILE~D 126 -28.29 -14.46 9.99 -28.50 -12.97 10.00 -28.40 -13.72 9.99 3 0 13.60 -999 ? O ACT A1182 >LEU~D 127 -28.86 -17.66 14.17 -30.33 -16.29 15.02 -29.60 -16.98 14.59 3 0 16.46 -999 ? O ACT A1182 >LEU~D 128 -25.47 -21.09 11.41 -26.38 -23.06 11.74 -25.92 -22.07 11.58 3 0 22.09 -999 ? O ACT A1182 >SER.D 129 -22.58 -17.37 11.52 -23.20 -15.03 11.86 -22.89 -16.20 11.69 2 0 16.49 -999 ? CH3 ACT A1182 >LYS.D 130 -19.48 -16.44 13.55 -20.26 -16.74 8.72 -19.87 -16.59 11.14 2 0 19.81 -999 ? CH3 ACT A1182 >ILE.D 131 -21.74 -12.08 14.14 -22.50 -11.48 14.04 -22.12 -11.78 14.09 3 0 14.10 -999 ? CH3 ACT A1182 >PRO.D 132 -20.10 -11.81 18.87 -21.52 -13.31 17.96 -20.81 -12.56 18.42 3 0 16.30 -999 ? CH3 ACT A1182 >SER^D 133 -25.30 -14.52 19.70 -25.48 -16.79 18.86 -25.39 -15.65 19.28 2 0 18.24 -999 ? CH3 ACT A1182 >PHE^D 134 -28.39 -13.60 24.85 -29.22 -13.68 27.54 -28.80 -13.64 26.19 3 0 17.04 -999 ? O3 GOL D1181 >LEU^D 135 -29.58 -18.52 20.57 -28.76 -17.96 18.60 -29.17 -18.24 19.58 3 0 19.01 -999 ? O ACT A1182 >TRP^D 136 -32.00 -16.13 25.07 -34.35 -14.15 27.56 -33.17 -15.14 26.31 3 0 13.39 -999 ? O3 GOL D1181 >LEU^D 137 -33.36 -21.93 20.50 -32.19 -20.79 19.09 -32.77 -21.36 19.79 3 0 18.50 -999 ? O2 GOL D1181 >PHE.D 138 -38.97 -23.18 21.12 -40.63 -21.01 21.77 -39.80 -22.09 21.44 3 0 14.22 -999 ? O2 GOL D1181 >GLU.D 139 -34.44 -26.82 17.86 -34.96 -28.12 16.26 -34.70 -27.47 17.06 2 0 21.84 -999 ? O2 GOL D1181 >GLU.D 140 -27.73 -26.26 21.28 -26.82 -26.69 23.16 -27.28 -26.47 22.22 2 0 20.95 -999 ? O2 GOL D1181 >LEU.D 141 -29.00 -23.23 16.68 -28.82 -22.22 14.77 -28.91 -22.73 15.73 3 0 22.36 -999 ? O ACT A1182 >LYS.D 142 -25.06 -24.88 17.65 -21.32 -22.55 15.38 -23.19 -23.71 16.51 2 0 24.20 -999 ? CH3 ACT A1182 >GLU.D 143 -21.61 -22.24 19.24 -19.70 -23.15 19.54 -20.66 -22.69 19.39 2 0 26.04 -999 ? CH3 ACT A1182 >ASP.D 144 -24.08 -23.14 25.44 -22.85 -24.74 26.11 -23.47 -23.94 25.77 2 0 22.37 -999 ? O2 GOL D1181 >CYH.D 145 -28.17 -21.73 23.90 -30.12 -23.42 22.95 -29.15 -22.57 23.42 2 0 17.92 -999 ? O2 GOL D1181 >LEU^D 146 -31.14 -19.51 26.95 -31.88 -19.07 28.95 -31.51 -19.29 27.95 3 0 13.45 -999 ? O3 GOL D1181 >LEU^D 147 -32.92 -25.16 26.24 -32.16 -26.48 24.73 -32.54 -25.82 25.48 3 0 15.08 -999 ? O2 GOL D1181 >LEU.D 148 -37.68 -21.88 25.68 -37.15 -19.83 26.12 -37.41 -20.86 25.90 3 0 10.86 -999 ? O2 GOL D1181 >LYS.D 149 -40.00 -25.59 26.00 -40.81 -29.12 24.35 -40.41 -27.36 25.18 2 0 13.85 -999 ? O2 GOL D1181 >GLU.D 150 -42.98 -24.43 20.59 -42.64 -25.02 18.59 -42.81 -24.73 19.59 2 0 17.20 -999 ? O2 GOL D1181 >HIS.D 151 -45.79 -27.28 22.21 -45.52 -27.23 20.13 -45.66 -27.26 21.17 3 0 15.73 -999 ? O2 GOL D1181 >ASP.D 152 -43.59 -24.59 28.46 -43.51 -24.00 30.49 -43.55 -24.30 29.48 2 0 5.75 -999 ? O2 GOL D1181 >SER.D 153 -48.20 -23.41 29.14 -49.00 -24.50 31.12 -48.60 -23.95 30.13 2 0 8.24 -999 ? O2 GOL D1181 >LEU~D 154 -45.57 -21.64 32.82 -46.97 -22.12 34.46 -46.27 -21.88 33.64 3 0 -3.89 -999 ? O2 GOL D1181s >LEU~D 155 -43.78 -20.51 27.17 -42.15 -20.14 25.71 -42.96 -20.33 26.44 3 0 8.85 -999 ? O2 GOL D1181 >ASP~D 156 -46.26 -16.01 28.32 -46.92 -16.52 26.38 -46.58 -16.27 27.35 2 0 10.44 -999 ? C2 GOL D1181 >TYR~D 157 -46.23 -16.78 33.55 -49.03 -16.71 33.91 -47.63 -16.75 33.73 3 0 -5.31 -999 ? C1 GOL D1181s >LYS~D 158 -40.69 -17.70 31.92 -41.11 -24.00 32.63 -40.90 -20.85 32.28 2 0 -4.46 -999 ? O2 GOL D1181s >LEU~D 159 -40.54 -14.98 27.89 -40.25 -16.05 25.99 -40.40 -15.52 26.94 3 0 9.28 -999 ? O3 GOL D1181 >LEU~D 160 -41.83 -11.95 32.17 -43.38 -10.80 31.19 -42.60 -11.38 31.68 3 0 7.46 -999 ? O3 GOL D1181 >GLN~D 161 -38.29 -15.65 36.22 -38.71 -17.60 37.01 -38.50 -16.63 36.62 2 0 -3.82 -999 ? O3 GOL D1181s >LEU~D 162 -35.40 -15.52 30.95 -35.00 -17.67 31.02 -35.20 -16.60 30.99 3 0 8.64 -999 ? O3 GOL D1181 >PHE~D 163 -36.27 -8.83 30.01 -35.31 -6.24 29.63 -35.79 -7.53 29.82 3 0 13.40 -999 ? O3 GOL D1181 >LYS~D 164 -35.86 -9.73 34.54 -40.60 -7.29 35.38 -38.23 -8.51 34.96 2 0 10.47 -999 ? O3 GOL D1181 >LEU~D 165 -32.84 -13.46 35.23 -31.36 -14.76 36.14 -32.10 -14.11 35.68 3 0 10.81 -999 ? O3 GOL D1181 >PHE~D 166 -30.33 -9.93 30.20 -28.59 -8.35 28.64 -29.46 -9.14 29.42 3 0 16.66 -999 ? O3 GOL D1181 >GLU~D 167 -33.98 -6.43 34.19 -35.73 -5.26 33.93 -34.85 -5.85 34.06 2 0 14.12 -999 ? O3 GOL D1181 >ASN~D 168 -31.58 -8.23 38.03 -33.25 -7.24 38.84 -32.42 -7.74 38.43 2 0 14.11 -999 ? O3 GOL D1181 >ALA~D 169 -27.60 -9.12 36.16 -27.49 -10.39 35.36 -27.54 -9.75 35.76 2 0 16.50 -999 ? O3 GOL D1181 >LEU~D 170 -27.49 -6.00 32.43 -26.81 -4.65 30.88 -27.15 -5.33 31.66 3 0 19.27 -999 ? OXT ACT A1182 >PHE~D 171 -29.02 -1.97 35.13 -29.72 -0.45 32.87 -29.37 -1.21 34.00 3 0 20.24 -999 ? OXT ACT A1182 >SER~D 172 -25.73 -5.40 38.95 -27.34 -6.75 40.14 -26.53 -6.07 39.55 2 0 19.02 -999 ? O3 GOL D1181 >VAL~D 173 -22.46 -5.38 36.98 -22.51 -6.79 35.29 -22.49 -6.09 36.13 3 0 22.95 -999 ? O3 GOL D1181 >LEU~D 174 -24.14 -1.16 35.19 -24.46 -1.58 33.05 -24.30 -1.37 34.12 3 0 21.59 -999 ? OXT ACT A1182 >TYR.D 175 -25.75 0.70 38.70 -27.49 2.18 37.04 -26.62 1.44 37.87 3 0 24.43 -999 ? OXT ACT A1182 >ASN.D 176 -19.41 -1.59 41.01 -18.50 -0.80 39.26 -18.96 -1.19 40.13 2 0 28.38 -999 ? CH3 ACT A1182 >LYS.D 177 -22.65 -4.76 42.92 -27.69 -1.89 42.71 -25.17 -3.33 42.81 2 0 22.56 -999 ? O3 GOL D1181 >VAL^D 178 -21.39 -7.86 41.14 -22.96 -9.33 40.54 -22.18 -8.60 40.84 3 0 21.47 -999 ? CA CA C1182 >THR^D 179 -18.18 -8.72 39.22 -16.52 -8.31 40.56 -17.35 -8.52 39.89 2 0 25.87 -999 ? CA CA C1182 >LEU.D 180 -18.20 -10.63 34.75 -20.03 -10.29 33.61 -19.11 -10.46 34.18 3 0 24.34 -999 ? O3 GOL D1181