REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-SEP-08 3EO6 COMPND PROTEIN OF UNKNOWN FUNCTION (DUF1255); COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ACIDITHIOBACILLUS FERROOXIDANS ATCC SOURCE 3 23270; SOURCE 4 ORGANISM_TAXID: 243159; SOURCE 5 GENE: AFE_2634; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 24 HET MSE A 36 32 HET MSE A 63 8 HET MSE A 83 8 HET MSE A 96 24 HET MSE B 1 8 HET MSE B 36 16 HET MSE B 63 8 HET MSE B 83 24 HET MSE B 96 8 HET MG A 106 1 HET MG B 106 1 HET TRS B 107 8 SITE 1 AC1 5 HOH A 110 HOH A 116 HOH A 131 HOH A 138 SITE 1 AC2 4 HOH B 118 HOH B 138 HOH B 193 HOH B 194 SITE 1 AC3 6 ASN B 88 GLU B 94 HOH B 194 HOH B 198 >GLY.A 0 30.68 -14.77 37.51 30.70 -14.13 38.06 30.69 -14.45 37.78 1 0 21.04 -999 ? MG MG A 106 >MET?A 1 29.33 -11.22 37.90 25.00 -10.88 37.76 27.16 -11.05 37.83 2 0 16.14 -999 ? MG MG A 106 >ALA~A 2 31.17 -8.23 39.35 31.92 -7.21 38.57 31.54 -7.72 38.96 2 0 14.72 -999 ? MG MG A 106 >PRO~A 3 31.46 -6.45 43.32 29.94 -6.60 41.69 30.70 -6.53 42.51 3 0 13.05 -999 ? MG MG A 106 >ASP.A 4 29.77 -2.68 38.63 30.81 -3.64 37.08 30.29 -3.16 37.86 2 0 11.89 -999 ? MG MG A 106 >GLN.A 5 27.00 -6.52 35.46 28.61 -7.60 34.55 27.80 -7.06 35.01 2 0 15.12 -999 ? MG MG A 106 >GLN^A 6 26.38 -9.12 41.42 27.51 -10.02 42.96 26.95 -9.57 42.19 2 0 15.09 -999 ? MG MG A 106 >VAL^A 7 21.52 -5.96 42.67 19.92 -4.64 41.96 20.72 -5.30 42.31 3 0 10.42 -999 ? MG MG A 106 >PRO^A 8 22.80 -6.07 46.83 21.24 -7.12 45.55 22.02 -6.59 46.19 3 0 12.06 -999 ? MG MG A 106 >ALA^A 9 17.85 -9.53 46.38 17.64 -10.28 45.04 17.74 -9.90 45.71 2 0 16.42 -999 ? MG MG A 106 >THR^A 10 15.81 -11.85 48.47 15.03 -11.36 50.46 15.42 -11.61 49.47 2 0 20.08 -999 ? MG MG A 106 >ALA^A 11 13.43 -13.51 46.02 12.15 -13.77 46.76 12.79 -13.64 46.39 2 0 22.31 -999 ? MG MG A 106 >LEU^A 12 13.43 -14.01 41.33 14.30 -15.93 40.55 13.87 -14.97 40.94 3 0 22.04 -999 ? MG MG A 106 >GLY^A 13 9.06 -14.52 41.03 9.77 -14.73 40.69 9.41 -14.63 40.86 1 0 24.25 -999 ? MG MG A 106 >LYS.A 14 8.74 -17.74 39.05 7.96 -22.88 42.54 8.35 -20.31 40.79 2 0 24.61 -999 ? C2 TRS B 107 >SER.A 15 6.32 -16.58 36.41 4.17 -16.19 37.45 5.24 -16.38 36.93 2 0 22.03 -999 ? C2 TRS B 107 >SER.A 16 6.77 -13.81 33.93 9.10 -14.03 33.22 7.93 -13.92 33.57 2 0 21.37 -999 ? C2 TRS B 107 >ARG^A 17 2.20 -10.40 35.71 4.44 -9.62 37.71 3.32 -10.01 36.71 2 0 24.52 -999 ? MG MG A 106 >ILE^A 18 4.72 -11.91 27.71 5.52 -12.70 26.85 5.12 -12.31 27.28 3 0 18.35 -999 ? O2 TRS B 107 >SER^A 19 2.67 -7.78 27.23 3.23 -6.16 28.95 2.95 -6.97 28.09 2 0 24.19 -999 ? O2 TRS B 107 >LEU.A 20 3.87 -4.16 24.96 3.32 -2.51 26.31 3.59 -3.33 25.63 3 0 25.75 -999 ? O2 TRS B 107 >ASP.A 21 2.80 -6.84 20.40 2.88 -7.95 18.60 2.84 -7.40 19.50 2 0 20.18 -999 ? O2 TRS B 107 >GLY.A 22 5.80 -9.58 23.18 5.77 -8.78 23.21 5.79 -9.18 23.19 1 0 19.61 -999 ? O2 TRS B 107 >ARG.A 23 7.13 -4.89 20.32 8.16 -2.85 18.32 7.64 -3.87 19.32 2 0 26.26 -999 ? O2 TRS B 107 >ARG^A 24 6.24 -3.67 29.98 3.39 -2.61 30.35 4.81 -3.14 30.17 2 0 24.75 -999 ? MG MG A 106 >SER^A 25 8.15 -8.88 30.15 10.32 -9.84 29.66 9.24 -9.36 29.90 2 0 23.03 -999 ? C2 TRS B 107 >GLU^A 26 6.59 -6.32 33.57 4.76 -5.37 34.00 5.68 -5.85 33.79 2 0 23.08 -999 ? MG MG A 106 >ARG^A 27 11.78 -12.78 37.42 11.40 -15.00 35.25 11.59 -13.89 36.33 2 0 22.99 -999 ? C2 TRS B 107 >SER^A 28 7.93 -9.68 40.46 5.50 -9.56 40.62 6.71 -9.62 40.54 2 0 23.29 -999 ? MG MG A 106 >VAL^A 29 10.98 -9.53 42.72 12.44 -8.77 41.25 11.71 -9.15 41.98 3 0 18.39 -999 ? MG MG A 106 >ILE^A 30 11.40 -9.87 47.47 10.18 -9.32 48.00 10.79 -9.60 47.73 3 0 20.13 -999 ? MG MG A 106 >LEU^A 31 15.18 -5.32 46.53 15.36 -4.68 44.48 15.27 -5.00 45.51 3 0 13.36 -999 ? MG MG A 106 >ALA.A 32 17.33 -7.26 49.84 18.81 -6.93 49.85 18.07 -7.10 49.84 2 0 14.79 -999 ? MG MG A 106 >ASP.A 33 15.57 -3.11 51.57 14.43 -2.38 49.92 15.00 -2.74 50.75 2 0 14.12 -999 ? MG MG A 106 >GLY.A 34 12.15 -6.45 51.43 12.31 -5.88 50.91 12.23 -6.16 51.17 1 0 18.62 -999 ? MG MG A 106 >SER.A 35 10.65 -4.05 48.86 12.50 -2.79 47.78 11.57 -3.42 48.32 2 0 14.72 -999 ? MG MG A 106 >MET?A 36 8.62 -5.40 45.97 7.19 -8.34 44.79 7.90 -6.87 45.38 2 0 21.32 -999 ? MG MG A 106 >HIS.A 37 11.15 -3.04 43.19 11.90 -1.76 44.64 11.53 -2.40 43.92 3 0 14.34 -999 ? MG MG A 106 >SER.A 38 8.35 -5.49 38.91 7.27 -5.53 36.78 7.81 -5.51 37.85 2 0 20.21 -999 ? MG MG A 106 >LEU.A 39 12.56 -7.47 37.75 14.69 -7.63 37.36 13.62 -7.55 37.55 3 0 16.58 -999 ? MG MG A 106 >THR.A 40 10.97 -5.43 33.62 9.26 -4.14 33.42 10.11 -4.78 33.52 2 0 19.17 -999 ? MG MG A 106 >LEU.A 41 13.21 -7.22 29.82 14.81 -7.44 28.39 14.01 -7.33 29.10 3 0 20.27 -999 ? MG MG A 106 >LEU.A 42 10.83 -2.18 27.96 9.09 -1.14 27.22 9.96 -1.66 27.59 3 0 21.12 -999 ? MG MG A 106 >HIS.A 43 12.35 -6.62 23.61 12.63 -8.53 24.45 12.49 -7.58 24.03 3 0 24.06 -999 ? C2 TRS B 107 >PRO.A 44 15.57 -2.49 21.34 13.46 -2.06 21.94 14.52 -2.27 21.64 3 0 23.59 -999 ? MG MG A 106 >GLY^A 45 10.42 0.54 20.35 10.86 0.94 20.96 10.64 0.74 20.66 1 0 25.95 -999 ? MG MG A 106 >VAL^A 46 8.21 3.37 21.50 8.52 5.37 20.67 8.37 4.37 21.08 3 0 26.18 -999 ? MG MG A 106 >TYR^A 47 6.73 0.56 24.29 8.36 -1.29 22.99 7.55 -0.37 23.64 3 0 25.20 -999 ? MG MG A 106 >THR^A 48 2.68 4.80 25.54 1.44 6.28 24.59 2.06 5.54 25.07 2 0 28.56 -999 ? MG MG A 106 >LEU.A 49 3.26 3.18 29.73 4.36 1.45 29.02 3.81 2.31 29.38 3 0 23.93 -999 ? MG MG A 106 >SER.A 50 -0.06 4.91 32.10 -1.94 6.16 32.59 -1.00 5.53 32.35 2 0 27.61 -999 ? MG MG A 106 >SER.A 51 -0.50 3.87 35.77 0.51 2.99 37.79 0.01 3.43 36.78 2 0 23.86 -999 ? MG MG A 106 >GLU.A 52 -5.17 3.56 37.35 -6.70 2.07 37.65 -5.93 2.82 37.50 2 0 31.04 -999 ? MG MG A 106 >VAL.A 53 -0.54 5.06 40.99 -0.82 3.13 41.93 -0.68 4.10 41.46 3 0 24.61 -999 ? MG MG A 106 >ALA.A 54 2.81 6.81 41.09 3.20 7.89 42.04 3.01 7.35 41.57 2 0 20.97 -999 ? MG MG A 106 >GLU^A 55 4.10 2.62 39.65 3.53 1.29 38.12 3.82 1.95 38.89 2 0 21.04 -999 ? MG MG A 106 >THR^A 56 9.35 4.66 41.11 10.55 5.11 42.82 9.95 4.89 41.96 2 0 13.39 -999 ? MG MG A 106 >ILE^A 57 11.17 4.05 36.65 11.51 4.40 35.29 11.34 4.23 35.97 3 0 14.01 -999 ? MG MG A 106 >ARG^A 58 17.26 0.85 41.49 16.40 -0.10 44.31 16.83 0.37 42.90 2 0 9.13 -999 ? MG MG A 106 >VAL^A 59 16.80 1.84 35.41 16.72 2.89 33.51 16.76 2.36 34.46 3 0 10.74 -999 ? MG MG A 106 >LEU^A 60 18.79 -2.46 36.06 18.04 -2.95 38.04 18.42 -2.71 37.05 3 0 10.47 -999 ? MG MG A 106 >SER^A 61 20.58 -1.27 32.13 21.77 -3.05 30.92 21.18 -2.16 31.53 2 0 13.76 -999 ? MG MG A 106 >GLY^A 62 19.88 0.13 28.65 20.08 0.65 29.27 19.98 0.39 28.96 1 0 14.78 -999 ? MG MG A 106 >MET?A 63 18.70 3.52 27.44 18.67 6.38 25.30 18.68 4.95 26.37 2 0 17.74 -999 ? MG MG A 106 >ALA^A 64 15.38 5.15 26.91 14.21 4.40 27.56 14.79 4.78 27.24 2 0 17.52 -999 ? MG MG A 106 >TYR^A 65 15.06 9.60 24.66 17.54 9.96 23.42 16.30 9.78 24.04 3 0 20.31 -999 ? MG MG A 106 >TYR^A 66 9.99 9.72 31.21 7.76 10.46 32.78 8.87 10.09 31.99 3 0 18.96 -999 ? MG MG A 106 >HIS^A 67 7.29 12.90 25.70 6.12 14.46 24.97 6.70 13.68 25.34 3 0 25.71 -999 ? MG MG A 106 >ALA.A 68 5.61 12.80 30.20 5.83 13.73 31.36 5.72 13.26 30.78 2 0 22.95 -999 ? MG MG A 106 >GLU.A 69 -0.37 13.72 28.81 -2.24 12.81 29.30 -1.30 13.26 29.05 2 0 30.27 -999 ? MG MG A 106 >GLY.A 70 2.17 16.80 27.00 2.84 16.47 27.29 2.51 16.63 27.14 1 0 29.17 -999 ? MG MG A 106 >ALA.A 71 5.76 17.65 27.92 6.71 16.75 28.65 6.24 17.20 28.28 2 0 25.01 -999 ? MG MG A 106 >ASN.A 72 8.18 21.40 26.42 8.86 22.63 24.85 8.52 22.01 25.64 2 0 29.16 -999 ? MG MG A 106 >ASP.A 73 11.88 18.46 25.62 13.34 17.78 24.18 12.61 18.12 24.90 2 0 24.66 -999 ? MG MG A 106 >VAL.A 74 12.08 14.24 26.78 12.45 13.30 24.82 12.27 13.77 25.80 3 0 22.06 -999 ? MG MG A 106 >GLN^A 75 14.41 12.99 32.03 13.27 13.05 33.87 13.84 13.02 32.95 2 0 15.91 -999 ? MG MG A 106 >GLU^A 76 19.27 9.35 28.47 21.14 9.50 27.54 20.21 9.43 28.00 2 0 15.65 -999 ? MG MG A 106 >LEU^A 77 15.86 6.62 31.21 14.13 7.34 32.43 14.99 6.98 31.82 3 0 13.85 -999 ? MG MG A 106 >HIS.A 78 21.83 6.49 31.11 22.88 8.20 31.70 22.36 7.34 31.40 3 0 11.19 -999 ? MG MG A 106 >ALA.A 79 21.53 2.78 33.99 22.71 1.85 33.69 22.12 2.31 33.84 2 0 8.97 -999 ? MG MG A 106 >GLY.A 80 21.40 4.18 37.49 20.81 4.36 37.01 21.11 4.27 37.25 1 0 5.31 -999 ? MG MG A 106 >ASP.A 81 18.32 7.36 35.53 19.95 8.35 34.55 19.13 7.85 35.04 2 0 9.35 -999 ? MG MG A 106 >SER^A 82 15.58 6.86 38.93 14.78 5.91 41.12 15.18 6.39 40.02 2 0 9.28 -999 ? MG MG A 106 >MET?A 83 12.52 8.97 39.30 11.59 10.16 35.25 12.05 9.56 37.27 2 0 15.18 -999 ? MG MG A 106 >VAL^A 84 8.88 8.96 40.35 7.81 9.40 42.18 8.34 9.18 41.27 3 0 16.25 -999 ? MG MG A 106 >ILE^A 85 6.56 7.35 36.39 6.82 6.75 35.12 6.69 7.05 35.76 3 0 18.53 -999 ? MG MG A 106 >PRO.A 86 4.03 12.23 37.13 4.03 10.20 38.10 4.03 11.22 37.61 3 0 21.44 -999 ? MG MG A 106 >ALA.A 87 0.01 8.51 37.99 -0.89 8.22 39.18 -0.44 8.36 38.59 2 0 25.24 -999 ? MG MG A 106 >ASN.A 88 -3.68 10.05 36.57 -4.41 8.86 38.16 -4.05 9.46 37.36 2 0 28.92 -999 ? MG MG A 106 >GLN.A 89 1.40 11.32 33.96 3.22 10.81 32.98 2.31 11.06 33.47 2 0 23.47 -999 ? MG MG A 106 >SER.A 90 0.15 8.86 29.39 -2.01 8.24 28.62 -0.93 8.55 29.01 2 0 29.47 -999 ? MG MG A 106 >TYR^A 91 4.86 7.39 31.16 5.04 4.97 32.56 4.95 6.18 31.86 3 0 21.63 -999 ? MG MG A 106 >ARG^A 92 4.92 8.97 23.23 2.03 9.56 22.51 3.47 9.27 22.87 2 0 29.81 -999 ? MG MG A 106 >LEU^A 93 9.51 4.13 27.64 9.84 4.23 29.78 9.68 4.18 28.71 3 0 19.58 -999 ? MG MG A 106 >GLU^A 94 12.51 6.05 21.43 12.73 7.51 19.95 12.62 6.78 20.69 2 0 25.02 -999 ? MG MG A 106 >VAL^A 95 13.74 2.42 24.07 13.35 0.64 25.29 13.55 1.53 24.68 3 0 20.54 -999 ? MG MG A 106 >MET?A 96 16.97 2.44 22.15 16.33 5.15 20.40 16.65 3.80 21.28 2 0 23.04 -999 ? MG MG A 106 >GLU^A 97 21.20 0.85 23.82 22.93 1.52 24.76 22.06 1.18 24.29 2 0 17.69 -999 ? MG MG A 106 >PRO^A 98 17.90 -4.38 24.16 17.26 -2.48 25.19 17.58 -3.43 24.68 3 0 20.25 -999 ? MG MG A 106 >LEU^A 99 14.72 -0.28 28.92 14.78 1.59 29.95 14.75 0.65 29.43 3 0 16.16 -999 ? MG MG A 106 >ASP^A 100 17.24 -4.20 32.64 17.59 -5.86 31.44 17.42 -5.03 32.04 2 0 16.25 -999 ? MG MG A 106 >TYR^A 101 12.29 -0.55 33.68 9.97 -0.77 32.12 11.13 -0.66 32.90 3 0 16.63 -999 ? MG MG A 106 >LEU^A 102 13.33 -1.93 39.72 14.55 -3.45 40.68 13.94 -2.69 40.20 3 0 12.51 -999 ? MG MG A 106 >LEU^A 103 7.86 -0.38 38.00 7.58 0.92 36.29 7.72 0.27 37.14 3 0 17.50 -999 ? MG MG A 106 >SER.A 104 7.92 -0.22 42.40 9.54 1.15 43.46 8.73 0.46 42.93 2 0 14.85 -999 ? MG MG A 106 >SER.A 105 4.85 -2.34 43.11 5.68 -4.47 42.24 5.27 -3.41 42.67 2 0 20.37 -999 ? MG MG A 106 >GLY.B 0 2.31 -10.32 47.70 2.75 -10.98 48.04 2.53 -10.65 47.87 1 0 26.84 -999 ? MG MG A 106 >MET?B 1 3.63 -13.53 46.16 6.63 -13.19 43.38 5.13 -13.36 44.77 2 0 24.84 -999 ? MG MG A 106 >ALA~B 2 3.00 -16.91 47.85 1.94 -17.95 47.51 2.47 -17.43 47.68 2 0 30.04 -999 ? C2 TRS B 107 >PRO~B 3 5.15 -19.04 51.04 5.42 -18.62 48.83 5.29 -18.83 49.93 3 0 30.94 -999 ? MG MG A 106 >ASP.B 4 4.45 -22.45 45.85 5.06 -24.19 44.80 4.75 -23.32 45.33 2 0 25.97 -999 ? C2 TRS B 107 >GLN.B 5 2.95 -18.06 43.31 1.39 -16.61 43.50 2.17 -17.34 43.40 2 0 26.90 -999 ? C2 TRS B 107 >GLN^B 6 9.17 -16.23 46.45 8.63 -14.53 47.69 8.90 -15.38 47.07 2 0 25.11 -999 ? MG MG A 106 >VAL^B 7 12.45 -18.69 44.56 13.35 -20.10 43.16 12.90 -19.40 43.86 3 0 26.47 -999 ? MG MG A 106 >PRO^B 8 13.99 -19.24 48.47 14.48 -17.87 46.78 14.23 -18.56 47.62 3 0 25.70 -999 ? MG MG A 106 >ALA^B 9 17.76 -15.45 45.57 17.28 -15.07 44.14 17.52 -15.26 44.86 2 0 20.86 -999 ? MG MG A 106 >THR^B 10 20.48 -13.14 46.88 21.84 -14.55 47.85 21.16 -13.85 47.37 2 0 20.10 -999 ? MG MG A 106 >ALA^B 11 21.39 -11.21 43.66 22.89 -11.27 43.43 22.14 -11.24 43.54 2 0 15.97 -999 ? MG MG A 106 >LEU^B 12 18.25 -9.54 40.42 16.41 -10.26 41.21 17.33 -9.90 40.81 3 0 15.99 -999 ? MG MG A 106 >GLY^B 13 21.83 -9.26 37.30 21.03 -9.05 37.47 21.43 -9.16 37.39 1 0 14.84 -999 ? MG MG A 106 >LYS.B 14 21.12 -5.80 35.93 24.74 -1.53 38.99 22.93 -3.66 37.46 2 0 6.95 -999 ? MG MG A 106 >SER.B 15 21.32 -6.59 32.27 23.57 -7.13 31.60 22.45 -6.86 31.93 2 0 15.78 -999 ? MG MG A 106 >SER.B 16 19.38 -8.95 30.12 17.10 -8.78 30.97 18.24 -8.86 30.54 2 0 18.72 -999 ? MG MG A 106 >ARG^B 17 24.18 -12.31 28.78 23.30 -13.33 31.55 23.74 -12.82 30.16 2 0 19.62 -999 ? MG A MG B 106 >ILE^B 18 17.87 -10.01 23.96 16.82 -9.04 23.96 17.34 -9.52 23.96 3 0 21.59 -999 ? MG A MG B 106 >SER^B 19 18.16 -13.84 21.51 18.56 -15.70 23.02 18.36 -14.77 22.27 2 0 16.73 -999 ? MG A MG B 106 >LEU.B 20 15.45 -16.97 19.93 16.63 -18.81 20.38 16.04 -17.89 20.15 3 0 17.06 -999 ? O1 TRS B 107 >ASP.B 21 13.91 -13.27 16.06 15.24 -13.79 14.55 14.58 -13.53 15.30 2 0 19.35 -999 ? O1 TRS B 107 >GLY.B 22 13.37 -11.29 20.52 13.34 -12.05 20.46 13.36 -11.67 20.49 1 0 20.64 -999 ? O1 TRS B 107 >ARG.B 23 9.90 -15.60 19.03 10.94 -17.68 17.04 10.42 -16.64 18.03 2 0 13.56 -999 ? O1 TRS B 107 >ARG^B 24 16.79 -18.48 25.10 19.01 -19.70 23.40 17.90 -19.09 24.25 2 0 14.88 -999 ? MG A MG B 106 >SER^B 25 15.65 -13.25 27.32 13.56 -12.34 28.19 14.60 -12.79 27.75 2 0 21.93 -999 ? C2 TRS B 107 >GLU^B 26 20.09 -15.15 29.16 20.65 -16.86 27.99 20.37 -16.00 28.57 2 0 16.98 -999 ? MG A MG B 106 >ARG^B 27 17.35 -10.54 35.83 16.56 -8.02 34.14 16.96 -9.28 34.98 2 0 16.66 -999 ? MG MG A 106 >SER^B 28 22.08 -13.91 35.51 24.12 -13.89 34.25 23.10 -13.90 34.88 2 0 20.11 -999 ? MG MG A 106 >VAL^B 29 20.95 -14.54 39.09 18.90 -15.18 38.69 19.93 -14.86 38.89 3 0 20.14 -999 ? MG MG A 106 >ILE^B 30 23.72 -15.19 42.98 24.95 -14.93 43.35 24.33 -15.06 43.17 3 0 19.70 -999 ? MG MG A 106 >LEU^B 31 19.94 -19.57 43.77 18.62 -19.89 42.07 19.28 -19.73 42.92 3 0 24.79 -999 ? MG MG A 106 >ALA.B 32 20.24 -18.50 47.99 18.99 -18.97 48.80 19.61 -18.73 48.39 2 0 24.99 -999 ? MG MG A 106 >ASP.B 33 22.46 -22.72 47.13 22.23 -22.78 45.03 22.35 -22.75 46.08 2 0 27.59 -999 ? MG MG A 106 >GLY.B 34 25.27 -18.98 46.10 24.83 -19.43 45.63 25.05 -19.20 45.86 1 0 23.96 -999 ? MG MG A 106 >SER.B 35 25.15 -20.56 42.66 23.31 -22.12 42.44 24.23 -21.34 42.55 2 0 26.37 -999 ? MG A MG B 106 >MET?B 36 24.74 -18.63 39.41 24.80 -17.49 35.85 24.77 -18.06 37.63 2 0 20.67 -999 ? MG A MG B 106 >HIS.B 37 21.69 -21.14 38.43 22.55 -22.53 39.75 22.12 -21.84 39.09 3 0 23.74 -999 ? MG A MG B 106 >SER.B 38 20.61 -17.82 33.77 20.60 -17.17 31.49 20.60 -17.49 32.63 2 0 19.23 -999 ? MG A MG B 106 >LEU.B 39 16.62 -15.99 35.81 14.67 -15.98 36.73 15.65 -15.99 36.27 3 0 22.96 -999 ? MG MG A 106 >THR.B 40 15.40 -17.32 31.26 16.66 -18.43 29.90 16.03 -17.87 30.58 2 0 20.45 -999 ? MG A MG B 106 >LEU.B 41 11.42 -15.19 29.86 9.29 -14.84 29.70 10.35 -15.01 29.78 3 0 19.13 -999 ? C2 TRS B 107 >LEU.B 42 11.87 -19.66 26.12 12.64 -20.42 24.23 12.25 -20.04 25.17 3 0 14.72 -999 ? C2 TRS B 107 >HIS.B 43 8.53 -14.49 24.38 9.05 -12.59 25.12 8.79 -13.54 24.75 3 0 17.46 -999 ? C2 TRS B 107 >PRO.B 44 4.07 -18.49 24.32 6.01 -18.89 23.31 5.04 -18.69 23.81 3 0 11.33 -999 ? C2 TRS B 107 >GLY^B 45 7.16 -20.68 19.62 7.19 -21.28 20.22 7.17 -20.98 19.92 1 0 9.56 -999 ? O1 TRS B 107 >VAL^B 46 9.17 -23.51 18.10 8.72 -24.81 16.42 8.94 -24.16 17.26 3 0 7.27 -999 ? O1 TRS B 107 >TYR^B 47 12.41 -21.54 20.17 10.64 -19.48 20.79 11.52 -20.51 20.48 3 0 12.23 -999 ? O1 TRS B 107 >THR^B 48 15.74 -25.23 16.81 15.69 -26.00 14.77 15.72 -25.61 15.79 2 0 12.62 -999 ? O1 TRS B 107 >LEU^B 49 18.13 -24.79 20.59 16.99 -22.96 21.11 17.56 -23.87 20.85 3 0 14.82 -999 ? MG A MG B 106 >SER.B 50 22.06 -26.75 19.93 22.40 -27.54 17.60 22.23 -27.14 18.76 2 0 10.24 -999 ? MG A MG B 106 >SER.B 51 23.96 -26.97 23.29 23.94 -29.25 24.02 23.95 -28.11 23.65 2 0 11.55 -999 ? MG A MG B 106 >GLU.B 52 28.31 -24.73 22.02 29.33 -22.92 21.72 28.82 -23.83 21.87 2 0 5.03 -999 ? MG A MG B 106 >VAL.B 53 28.46 -27.39 27.19 29.44 -25.70 28.20 28.95 -26.55 27.69 3 0 10.83 -999 ? MG A MG B 106 >ALA.B 54 25.89 -29.48 29.10 26.19 -30.65 30.00 26.04 -30.06 29.55 2 0 15.20 -999 ? MG A MG B 106 >GLU^B 55 23.27 -25.76 28.72 22.41 -24.66 27.12 22.84 -25.21 27.92 2 0 13.53 -999 ? MG A MG B 106 >THR^B 56 20.84 -28.16 33.58 21.33 -29.01 35.51 21.08 -28.59 34.55 2 0 21.43 -999 ? MG A MG B 106 >ILE^B 57 16.69 -27.22 31.85 16.87 -26.02 31.01 16.78 -26.62 31.43 3 0 18.66 -999 ? N TRS B 107 >ARG^B 58 17.07 -26.36 39.29 20.10 -26.73 39.11 18.58 -26.55 39.20 2 0 24.73 -999 ? MG A MG B 106 >VAL^B 59 11.51 -25.16 34.84 10.42 -25.85 33.12 10.96 -25.51 33.98 3 0 17.45 -999 ? N TRS B 107 >LEU^B 60 10.35 -21.27 37.38 12.21 -20.94 38.46 11.28 -21.11 37.92 3 0 22.12 -999 ? C2 TRS B 107 >SER^B 61 6.61 -22.01 35.09 5.00 -20.16 35.04 5.80 -21.09 35.07 2 0 18.05 -999 ? C2 TRS B 107 >GLY^B 62 5.13 -22.73 31.66 5.25 -23.38 32.15 5.19 -23.06 31.90 1 0 13.99 -999 ? C2 TRS B 107 >MET?B 63 4.98 -25.75 29.37 3.44 -28.14 27.16 4.21 -26.94 28.27 2 0 7.94 -999 ? C2 TRS B 107 >ALA^B 64 7.19 -26.95 26.54 8.52 -26.19 26.49 7.85 -26.57 26.52 2 0 10.02 -999 ? N TRS B 107 >TYR^B 65 5.69 -30.65 23.64 2.95 -31.03 24.05 4.32 -30.84 23.85 3 0 4.85 -999 ? N TRS B 107 >TYR^B 66 14.02 -31.53 25.24 16.67 -32.32 24.84 15.35 -31.93 25.04 3 0 13.48 -999 ? N TRS B 107 >HIS^B 67 12.23 -34.37 19.25 12.68 -35.93 17.95 12.46 -35.15 18.60 3 0 10.25 -999 ? N TRS B 107 >ALA^B 68 16.42 -34.38 21.11 17.07 -35.33 22.06 16.75 -34.85 21.58 2 0 14.86 -999 ? N TRS B 107 >GLU.B 69 18.54 -34.22 15.35 19.90 -33.02 14.45 19.22 -33.62 14.90 2 0 15.42 -999 ? MG A MG B 106 >GLY.B 70 18.04 -38.49 17.68 17.55 -38.22 18.20 17.80 -38.36 17.94 1 0 16.80 -999 ? N TRS B 107 >ALA.B 71 15.22 -39.46 20.09 14.83 -38.64 21.30 15.03 -39.05 20.69 2 0 14.25 -999 ? N TRS B 107 >ASN.B 72 11.77 -42.42 18.70 13.18 -43.21 17.33 12.48 -42.81 18.02 2 0 16.16 -999 ? N TRS B 107 >ASP.B 73 9.64 -40.18 22.89 9.15 -42.09 22.32 9.40 -41.14 22.60 2 0 13.34 -999 ? N TRS B 107 >VAL.B 74 9.13 -35.77 22.99 7.42 -34.75 22.02 8.27 -35.26 22.51 3 0 7.65 -999 ? N TRS B 107 >GLN^B 75 11.20 -34.51 28.76 13.07 -34.87 29.80 12.13 -34.69 29.28 2 0 15.11 -999 ? N TRS B 107 >GLU^B 76 5.19 -33.70 27.63 3.11 -33.88 28.01 4.15 -33.79 27.82 2 0 8.69 -999 ? O3 TRS B 107 >LEU^B 77 9.66 -28.91 30.02 11.77 -29.40 29.78 10.71 -29.15 29.90 3 0 13.15 -999 ? N TRS B 107 >HIS^B 78 4.34 -30.02 32.49 3.20 -30.88 30.99 3.77 -30.45 31.74 3 0 12.04 -999 ? O3 TRS B 107 >ALA.B 79 6.61 -26.34 36.32 5.53 -25.53 37.02 6.07 -25.94 36.67 2 0 18.26 -999 ? C2 TRS B 107 >GLY.B 80 8.91 -28.16 38.69 9.02 -28.24 37.93 8.97 -28.20 38.31 1 0 20.50 -999 ? N TRS B 107 >ASP.B 81 9.98 -30.67 34.70 8.29 -31.92 34.80 9.14 -31.29 34.75 2 0 16.51 -999 ? N TRS B 107 >SER^B 82 14.28 -30.55 35.57 14.97 -31.78 37.56 14.63 -31.16 36.56 2 0 21.85 -999 ? N TRS B 107 >MET?B 83 16.43 -32.09 32.88 15.14 -30.93 28.91 15.79 -31.51 30.90 2 0 15.35 -999 ? N TRS B 107 >VAL^B 84 19.97 -32.12 31.62 21.74 -32.70 32.69 20.86 -32.41 32.16 3 0 20.15 -999 ? MG A MG B 106 >ILE^B 85 20.33 -29.96 27.28 19.57 -29.14 26.35 19.95 -29.55 26.82 3 0 16.15 -999 ? MG A MG B 106 >PRO.B 86 22.50 -34.90 26.37 23.17 -32.96 27.26 22.84 -33.93 26.81 3 0 16.33 -999 ? MG A MG B 106 >ALA.B 87 26.83 -31.43 25.64 28.30 -31.66 26.04 27.57 -31.55 25.84 2 0 11.95 -999 ? MG A MG B 106 >ASN.B 88 28.06 -31.46 21.34 28.31 -31.33 19.24 28.19 -31.40 20.29 2 0 -8.35 -999 ? MG A MG B 106s >GLN.B 89 20.92 -32.58 22.66 20.98 -34.55 21.99 20.95 -33.57 22.32 2 0 15.86 -999 ? MG A MG B 106 >SER^B 90 20.80 -30.45 18.82 19.90 -29.83 16.69 20.35 -30.14 17.75 2 0 13.47 -999 ? MG A MG B 106 >TYR^B 91 17.61 -29.10 22.17 18.36 -26.78 23.51 17.98 -27.94 22.84 3 0 15.35 -999 ? N TRS B 107 >ARG^B 92 10.89 -28.76 16.90 8.49 -30.55 16.32 9.69 -29.65 16.61 2 0 5.10 -999 ? O1 TRS B 107 >LEU^B 93 12.94 -26.06 22.98 12.69 -25.94 25.16 12.81 -26.00 24.07 3 0 11.62 -999 ? N TRS B 107 >GLU^B 94 6.14 -26.56 20.04 4.87 -27.89 19.04 5.51 -27.22 19.54 2 0 -2.83 -999 ? O1 TRS B 107s >VAL^B 95 6.94 -23.72 23.95 8.14 -22.24 25.03 7.54 -22.98 24.49 3 0 9.53 -999 ? C2 TRS B 107 >MET?B 96 3.18 -23.77 24.50 2.96 -26.04 22.15 3.07 -24.91 23.32 2 0 3.93 -999 ? C2 TRS B 107 >GLU^B 97 0.88 -22.48 28.57 -0.34 -20.79 28.08 0.27 -21.64 28.33 2 0 11.72 -999 ? O2 TRS B 107 >PRO^B 98 4.05 -17.33 28.11 5.14 -19.32 28.14 4.60 -18.33 28.12 3 0 13.77 -999 ? C2 TRS B 107 >LEU^B 99 9.39 -21.94 28.86 9.87 -24.01 29.36 9.63 -22.97 29.11 3 0 13.70 -999 ? C2 TRS B 107 >ASP^B 100 9.71 -18.83 33.97 8.85 -16.99 33.47 9.28 -17.91 33.72 2 0 19.56 -999 ? C2 TRS B 107 >TYR^B 101 14.17 -22.17 31.30 14.99 -21.52 28.71 14.58 -21.85 30.01 3 0 17.91 -999 ? N TRS B 107 >LEU^B 102 17.02 -21.81 36.92 16.56 -20.53 38.60 16.79 -21.17 37.76 3 0 24.83 -999 ? N TRS B 107 >LEU^B 103 19.71 -22.16 31.73 21.07 -22.63 30.10 20.39 -22.39 30.91 3 0 17.74 -999 ? MG A MG B 106 >SER.B 104 22.99 -23.86 34.71 24.14 -24.66 36.71 23.56 -24.26 35.71 2 0 20.66 -999 ? MG A MG B 106 >SER.B 105 26.26 -24.98 33.11 26.69 -23.14 31.51 26.48 -24.06 32.31 2 0 14.90 -999 ? MG A MG B 106