REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 25-AUG-08 3EAA COMPND EVPC; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EDWARDSIELLA TARDA; SOURCE 3 ORGANISM_TAXID: 636; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PETM AUTHOR C.JOBICHEN,J.SIVARAMAN HET MSE A 40 5 HET MSE A 53 8 HET MSE A 54 8 HET MSE A 63 8 HET MSE B 40 5 HET MSE B 53 8 HET MSE B 54 8 HET MSE B 63 8 >ALA.A 2 14.30 -21.66 -15.97 12.82 -21.38 -15.67 13.56 -21.52 -15.82 2 0 1000.00 -999 ? >ASP^A 4 19.46 -21.33 -18.77 18.88 -20.63 -16.86 19.17 -20.98 -17.81 2 0 1000.00 -999 ? >THR^A 5 19.47 -20.80 -23.49 17.87 -20.32 -24.84 18.67 -20.56 -24.17 2 0 1000.00 -999 ? >TYR^A 6 23.82 -22.13 -22.62 23.54 -22.15 -19.84 23.68 -22.14 -21.23 3 0 1000.00 -999 ? >ILE^A 7 23.52 -20.13 -29.28 23.38 -19.25 -30.42 23.45 -19.69 -29.85 3 0 1000.00 -999 ? >LYS^A 8 27.50 -22.43 -30.09 31.82 -26.84 -29.34 29.66 -24.64 -29.71 2 0 1000.00 -999 ? >LEU^A 9 29.41 -19.77 -33.45 28.20 -18.41 -34.60 28.81 -19.09 -34.03 3 0 1000.00 -999 ? >ASP.A 10 32.49 -23.60 -36.06 31.26 -25.30 -35.99 31.87 -24.45 -36.02 2 0 1000.00 -999 ? >LYS.A 11 35.58 -20.94 -33.59 38.95 -22.16 -38.38 37.27 -21.55 -35.99 2 0 1000.00 -999 ? >VAL.A 12 33.58 -18.12 -31.96 32.15 -17.13 -33.31 32.86 -17.63 -32.64 3 0 1000.00 -999 ? >ASP.A 13 35.39 -17.87 -27.45 36.78 -19.31 -28.08 36.08 -18.59 -27.77 2 0 1000.00 -999 ? >GLY.A 14 31.16 -16.49 -26.28 31.87 -16.86 -25.96 31.51 -16.68 -26.12 1 0 1000.00 -999 ? >GLU.A 15 31.83 -13.52 -21.46 31.81 -11.49 -22.03 31.82 -12.50 -21.75 2 0 1000.00 -999 ? >SER.A 16 29.28 -18.48 -20.76 27.76 -20.30 -20.33 28.52 -19.39 -20.54 2 0 1000.00 -999 ? >THR.A 17 30.54 -20.11 -17.59 31.12 -18.60 -16.20 30.83 -19.36 -16.89 2 0 1000.00 -999 ? >ASP~A 18 26.87 -23.27 -16.72 26.31 -23.96 -18.62 26.59 -23.61 -17.67 2 0 1000.00 -999 ? >ASP~A 19 29.74 -27.57 -15.65 30.35 -27.04 -13.70 30.05 -27.30 -14.68 2 0 1000.00 -999 ? >HIS~A 21 26.02 -25.01 -22.11 24.46 -26.35 -22.53 25.24 -25.68 -22.32 3 0 1000.00 -999 ? >LYS~A 22 31.99 -23.27 -21.33 35.03 -27.43 -17.58 33.51 -25.35 -19.46 2 0 1000.00 -999 ? >LYS.A 23 32.67 -20.15 -23.43 38.88 -20.02 -24.22 35.78 -20.09 -23.82 2 0 1000.00 -999 ? >TRP.A 24 29.50 -23.82 -24.98 26.46 -25.33 -26.95 27.98 -24.57 -25.97 3 0 1000.00 -999 ? >ILE^A 25 26.92 -17.08 -27.38 27.42 -16.88 -28.07 27.17 -16.98 -27.72 3 0 1000.00 -999 ? >GLU^A 26 25.58 -17.25 -21.04 25.74 -16.50 -19.06 25.66 -16.88 -20.05 2 0 1000.00 -999 ? >VAL^A 27 21.22 -16.06 -25.04 20.43 -17.28 -26.68 20.83 -16.67 -25.86 3 0 1000.00 -999 ? >LEU.A 28 17.56 -13.31 -23.68 18.91 -12.17 -22.47 18.23 -12.74 -23.07 3 0 1000.00 -999 ? >GLY.A 29 15.32 -15.47 -26.59 16.09 -15.45 -26.87 15.70 -15.46 -26.73 1 0 1000.00 -999 ? >PHE.A 30 14.78 -19.77 -29.14 12.90 -21.41 -27.95 13.84 -20.59 -28.55 3 0 1000.00 -999 ? >ALA.A 31 12.19 -17.33 -31.86 11.89 -15.87 -32.09 12.04 -16.60 -31.98 2 0 1000.00 -999 ? >TRP.A 32 14.08 -21.71 -36.71 11.66 -24.80 -36.55 12.87 -23.26 -36.63 3 0 1000.00 -999 ? >GLY.A 33 9.52 -21.00 -37.25 10.21 -21.13 -37.62 9.86 -21.06 -37.43 1 0 1000.00 -999 ? >ALA^A 34 8.62 -23.25 -40.12 9.38 -24.55 -40.01 9.00 -23.90 -40.06 2 0 1000.00 -999 ? >GLY^A 35 5.53 -24.22 -42.04 6.16 -24.06 -42.59 5.84 -24.14 -42.31 1 0 1000.00 -999 ? >ASN^A 36 4.01 -26.37 -45.94 2.34 -27.21 -44.98 3.17 -26.79 -45.46 2 0 1000.00 -999 ? >GLU.A 37 3.27 -23.51 -50.22 3.61 -22.69 -52.14 3.44 -23.10 -51.18 2 0 1000.00 -999 ? >CYH.A 38 -1.23 -24.94 -47.20 -2.69 -27.16 -46.35 -1.96 -26.05 -46.77 2 0 1000.00 -999 ? >THR.A 39 -4.17 -22.77 -48.26 -4.15 -21.70 -50.13 -4.16 -22.23 -49.19 2 0 1000.00 -999 ? >GLY.A 43 -12.18 -25.77 -54.04 -11.65 -26.25 -53.58 -11.91 -26.01 -53.81 1 0 1000.00 -999 ? >GLN.A 45 -11.20 -34.29 -53.60 -10.19 -35.63 -52.28 -10.69 -34.96 -52.94 2 0 1000.00 -999 ? >GLY.A 46 -6.56 -32.94 -51.77 -6.96 -32.18 -51.77 -6.76 -32.56 -51.77 1 0 1000.00 -999 ? >LEU.A 47 -4.09 -31.23 -47.94 -4.91 -31.21 -45.93 -4.50 -31.22 -46.93 3 0 1000.00 -999 ? >THR.A 49 0.81 -28.56 -48.99 2.47 -29.72 -48.27 1.64 -29.14 -48.63 2 0 1000.00 -999 ? >GLY.A 50 2.97 -27.10 -51.73 3.20 -27.54 -51.07 3.09 -27.32 -51.40 1 0 1000.00 -999 ? >LYS.A 51 6.39 -26.09 -50.65 11.04 -24.99 -50.07 8.71 -25.54 -50.36 2 0 1000.00 -999 ? >ALA^A 52 8.14 -26.21 -47.41 8.93 -27.32 -47.10 8.54 -26.76 -47.25 2 0 1000.00 -999 ? >MET?A 53 9.49 -23.39 -45.55 11.58 -20.89 -48.41 10.53 -22.14 -46.98 2 0 1000.00 -999 ? >MET?A 54 11.62 -22.23 -42.79 14.28 -25.83 -42.96 12.95 -24.03 -42.88 2 0 1000.00 -999 ? >SER^A 55 12.49 -19.07 -40.97 11.71 -18.49 -38.78 12.10 -18.78 -39.88 2 0 1000.00 -999 ? >VAL^A 56 15.62 -17.40 -39.79 16.77 -15.72 -40.53 16.20 -16.56 -40.16 3 0 1000.00 -999 ? >LEU^A 57 17.48 -18.91 -35.61 17.91 -19.55 -33.58 17.69 -19.23 -34.60 3 0 1000.00 -999 ? >ARG^A 58 13.69 -12.28 -35.52 13.48 -9.28 -35.96 13.59 -10.78 -35.74 2 0 1000.00 -999 ? >VAL^A 59 18.73 -14.55 -31.26 20.48 -15.70 -30.74 19.60 -15.13 -31.00 3 0 1000.00 -999 ? >THR^A 60 18.70 -12.02 -28.46 16.99 -10.77 -28.01 17.85 -11.39 -28.23 2 0 1000.00 -999 ? >LYS^A 61 21.64 -11.48 -26.11 26.63 -11.26 -28.52 24.13 -11.37 -27.31 2 0 1000.00 -999 ? >TRP^A 62 23.10 -9.99 -20.94 20.22 -7.34 -21.33 21.66 -8.67 -21.13 3 0 1000.00 -999 ? >MET?A 63 27.13 -7.65 -25.73 28.77 -3.97 -27.05 27.95 -5.81 -26.39 2 0 1000.00 -999 ? >ASP^A 64 29.43 -11.47 -24.77 28.22 -12.20 -26.29 28.83 -11.83 -25.53 2 0 1000.00 -999 ? >CYH^A 65 33.16 -11.23 -26.53 33.12 -13.74 -25.43 33.14 -12.48 -25.98 2 0 1000.00 -999 ? >ALA^A 66 31.33 -12.63 -29.52 30.28 -13.70 -29.40 30.81 -13.17 -29.46 2 0 1000.00 -999 ? >SER^A 67 29.87 -9.30 -30.54 29.24 -8.38 -28.41 29.55 -8.84 -29.48 2 0 1000.00 -999 ? >VAL^A 68 32.79 -8.19 -32.68 34.65 -7.13 -32.38 33.72 -7.66 -32.53 3 0 1000.00 -999 ? >LYS^A 69 32.90 -11.51 -34.53 36.58 -11.70 -35.14 34.74 -11.60 -34.83 2 0 1000.00 -999 ? >LEU^A 70 28.13 -11.32 -33.81 27.84 -13.10 -32.55 27.98 -12.21 -33.18 3 0 1000.00 -999 ? >ALA^A 71 29.48 -7.84 -36.23 30.12 -6.69 -35.49 29.80 -7.27 -35.86 2 0 1000.00 -999 ? >SER^A 72 32.15 -8.85 -38.72 34.11 -8.52 -37.35 33.13 -8.69 -38.03 2 0 1000.00 -999 ? >ALA^A 73 30.28 -11.98 -39.72 29.66 -13.00 -38.79 29.97 -12.49 -39.25 2 0 1000.00 -999 ? >ALA^A 74 27.38 -9.84 -40.88 26.76 -8.70 -40.11 27.07 -9.27 -40.49 2 0 1000.00 -999 ? >VAL^A 75 29.21 -7.61 -43.40 30.10 -5.96 -42.29 29.65 -6.79 -42.84 3 0 1000.00 -999 ? >GLN^A 76 33.88 -11.36 -43.62 35.36 -11.07 -42.13 34.62 -11.22 -42.88 2 0 1000.00 -999 ? >GLY^A 77 28.91 -12.91 -45.22 29.59 -13.00 -44.75 29.25 -12.96 -44.99 1 0 1000.00 -999 ? >GLN^A 78 32.61 -16.01 -41.36 33.68 -15.27 -39.66 33.14 -15.64 -40.51 2 0 1000.00 -999 ? >ASN^A 79 30.27 -19.86 -44.79 29.14 -19.17 -46.44 29.71 -19.52 -45.61 2 0 1000.00 -999 ? >PHE^A 80 29.79 -19.45 -38.74 30.65 -16.93 -38.04 30.22 -18.19 -38.39 3 0 1000.00 -999 ? >PRO^A 81 31.82 -25.01 -39.93 29.72 -24.41 -40.46 30.77 -24.71 -40.19 3 0 1000.00 -999 ? >THR^A 82 27.39 -25.46 -37.55 27.64 -27.45 -36.79 27.51 -26.45 -37.17 2 0 1000.00 -999 ? >LEU^A 83 24.43 -22.39 -35.54 23.79 -20.73 -34.34 24.11 -21.56 -34.94 3 0 1000.00 -999 ? >GLU^A 84 25.54 -27.52 -32.09 27.26 -28.36 -31.17 26.40 -27.94 -31.63 2 0 1000.00 -999 ? >LEU^A 85 19.89 -23.42 -30.59 18.52 -22.06 -29.57 19.21 -22.74 -30.08 3 0 1000.00 -999 ? >GLU^A 86 21.78 -27.43 -25.47 23.65 -28.43 -25.48 22.71 -27.93 -25.47 2 0 1000.00 -999 ? >ILE^A 87 16.45 -24.45 -24.25 16.05 -24.15 -24.99 16.25 -24.30 -24.62 3 0 1000.00 -999 ? >CYH^A 88 18.68 -26.29 -20.51 21.30 -26.44 -21.57 19.99 -26.36 -21.04 2 0 1000.00 -999 ? >THR^A 89 16.50 -26.80 -17.44 16.12 -28.90 -17.35 16.31 -27.85 -17.39 2 0 1000.00 -999 ? >GLY^A 92 16.47 -31.18 -12.42 17.07 -30.66 -12.24 16.77 -30.92 -12.33 1 0 1000.00 -999 ? >PHE^A 95 18.34 -32.59 -18.81 15.65 -33.01 -18.37 17.00 -32.80 -18.59 3 0 1000.00 -999 ? >ALA^A 96 19.10 -29.71 -22.50 20.08 -29.54 -23.63 19.59 -29.63 -23.07 2 0 1000.00 -999 ? >PHE^A 97 14.16 -28.67 -22.02 13.82 -25.93 -21.87 13.99 -27.30 -21.95 3 0 1000.00 -999 ? >CYH^A 98 15.72 -29.14 -26.53 14.42 -27.53 -28.35 15.07 -28.33 -27.44 2 0 1000.00 -999 ? >ILE^A 99 19.59 -30.63 -28.68 19.73 -31.09 -27.99 19.66 -30.86 -28.34 3 0 1000.00 -999 ? >TYR^A 100 16.60 -26.06 -32.54 13.89 -26.00 -33.19 15.25 -26.03 -32.86 3 0 1000.00 -999 ? >LYS^A 101 21.27 -27.97 -34.76 23.33 -33.29 -31.87 22.30 -30.63 -33.32 2 0 1000.00 -999 ? >PHE^A 102 20.49 -23.92 -36.98 18.27 -23.18 -35.48 19.38 -23.55 -36.23 3 0 1000.00 -999 ? >THR^A 103 24.28 -26.60 -40.66 24.51 -28.76 -40.89 24.39 -27.68 -40.77 2 0 1000.00 -999 ? >HIS^A 104 26.00 -25.83 -44.92 27.18 -27.45 -45.56 26.59 -26.64 -45.24 3 0 1000.00 -999 ? >VAL^A 105 24.96 -20.99 -41.07 24.35 -21.36 -39.02 24.65 -21.17 -40.04 3 0 1000.00 -999 ? >ALA^A 106 25.41 -17.27 -41.77 25.21 -16.85 -43.22 25.31 -17.06 -42.49 2 0 1000.00 -999 ? >VAL^A 107 24.71 -14.05 -39.90 25.58 -13.06 -38.16 25.14 -13.56 -39.03 3 0 1000.00 -999 ? >SER^A 108 22.13 -12.28 -42.07 20.02 -13.23 -41.28 21.07 -12.76 -41.67 2 0 1000.00 -999 ? >SER^A 109 21.83 -9.29 -39.78 19.70 -9.10 -38.63 20.77 -9.20 -39.21 2 0 1000.00 -999 ? >TYR^A 110 25.37 -7.28 -35.31 26.28 -6.16 -32.97 25.83 -6.72 -34.14 3 0 1000.00 -999 ? >GLN^A 111 19.50 -5.00 -36.13 19.44 -3.07 -37.01 19.47 -4.03 -36.57 2 0 1000.00 -999 ? >CYH^A 112 22.89 -3.13 -31.78 25.14 -2.79 -30.26 24.01 -2.96 -31.02 2 0 1000.00 -999 ? >SER^A 113 21.28 -0.76 -29.30 19.21 -1.77 -28.50 20.24 -1.26 -28.90 2 0 1000.00 -999 ? >GLY^A 114 21.83 0.69 -25.83 21.17 1.01 -26.15 21.50 0.85 -25.99 1 0 1000.00 -999 ? >GLY^A 117 21.11 4.47 -18.23 20.44 4.07 -18.53 20.77 4.27 -18.38 1 0 1000.00 -999 ? >GLY^A 118 19.10 1.72 -16.54 19.81 1.38 -16.88 19.46 1.55 -16.71 1 0 1000.00 -999 ? >SER^A 119 19.43 -1.94 -17.44 18.78 -2.03 -19.80 19.10 -1.99 -18.62 2 0 1000.00 -999 ? >ASP^A 120 23.87 -3.65 -16.49 25.85 -2.89 -16.34 24.86 -3.27 -16.42 2 0 1000.00 -999 ? >PRO^A 122 25.79 -2.21 -24.38 23.94 -3.22 -23.66 24.87 -2.72 -24.02 3 0 1000.00 -999 ? >GLN^A 123 19.17 -6.63 -26.34 17.17 -6.41 -25.67 18.17 -6.52 -26.00 2 0 1000.00 -999 ? >GLU^A 124 24.17 -8.38 -29.24 26.07 -8.88 -30.07 25.12 -8.63 -29.65 2 0 1000.00 -999 ? >THR^A 125 19.61 -8.98 -31.91 17.52 -8.56 -31.86 18.57 -8.77 -31.89 2 0 1000.00 -999 ? >ILE^A 126 22.32 -12.21 -33.99 23.01 -12.06 -33.46 22.67 -12.14 -33.72 3 0 1000.00 -999 ? >ASP^A 127 18.62 -12.41 -38.39 16.82 -11.65 -37.54 17.72 -12.03 -37.97 2 0 1000.00 -999 ? >PHE^A 128 22.32 -16.99 -36.28 24.17 -16.12 -34.42 23.24 -16.55 -35.35 3 0 1000.00 -999 ? >ALA^A 129 20.37 -17.76 -41.89 20.56 -16.96 -43.16 20.47 -17.36 -42.52 2 0 1000.00 -999 ? >TYR^A 130 19.24 -22.19 -40.85 16.56 -22.21 -40.14 17.90 -22.20 -40.49 3 0 1000.00 -999 ? >LYS^A 131 20.68 -24.51 -44.83 21.09 -22.52 -49.85 20.89 -23.51 -47.34 2 0 1000.00 -999 ? >GLU^A 132 20.64 -28.88 -44.45 21.91 -30.49 -44.99 21.27 -29.68 -44.72 2 0 1000.00 -999 ? >VAL^A 133 18.58 -28.09 -38.99 16.97 -26.89 -38.21 17.78 -27.49 -38.60 3 0 1000.00 -999 ? >THR^A 134 17.32 -30.60 -36.41 18.42 -32.44 -36.43 17.87 -31.52 -36.42 2 0 1000.00 -999 ? >TRP^A 135 11.87 -31.78 -35.34 12.81 -28.95 -37.89 12.34 -30.37 -36.61 3 0 1000.00 -999 ? >GLU^A 136 17.75 -33.88 -31.63 19.76 -34.22 -31.08 18.76 -34.05 -31.35 2 0 1000.00 -999 ? >TYR^A 137 11.20 -32.30 -26.46 9.73 -31.88 -24.14 10.47 -32.09 -25.30 3 0 1000.00 -999 ? >VAL^A 138 13.80 -34.45 -24.14 15.74 -35.21 -23.48 14.77 -34.83 -23.81 3 0 1000.00 -999 ? >PRO^A 139 10.98 -37.06 -22.50 11.46 -34.94 -22.11 11.22 -36.00 -22.30 3 0 1000.00 -999 ? >GLN^A 140 12.88 -33.07 -16.11 13.16 -31.02 -15.54 13.02 -32.05 -15.82 2 0 1000.00 -999 ? >GLY^A 144 13.49 -34.48 -11.29 13.30 -35.09 -11.79 13.39 -34.79 -11.54 1 0 1000.00 -999 ? >ALA^A 146 15.23 -36.81 -17.51 16.40 -36.54 -18.43 15.82 -36.68 -17.97 2 0 1000.00 -999 ? >GLY^A 147 13.40 -39.24 -19.76 14.03 -38.80 -20.16 13.71 -39.02 -19.96 1 0 1000.00 -999 ? >GLY^A 148 13.89 -40.76 -23.20 13.64 -40.00 -23.01 13.76 -40.38 -23.11 1 0 1000.00 -999 ? >LYS^A 149 14.94 -38.46 -26.02 20.21 -36.07 -27.66 17.58 -37.26 -26.84 2 0 1000.00 -999 ? >ILE^A 150 11.18 -36.77 -28.51 10.26 -37.71 -28.19 10.72 -37.24 -28.35 3 0 1000.00 -999 ? >GLY^A 151 13.65 -38.82 -32.15 13.56 -38.10 -31.82 13.61 -38.46 -31.98 1 0 1000.00 -999 ? >PRO^A 152 17.54 -37.98 -33.11 15.70 -36.71 -33.23 16.62 -37.35 -33.17 3 0 1000.00 -999 ? >GLU^A 153 12.49 -36.75 -36.83 10.58 -37.13 -36.03 11.54 -36.94 -36.43 2 0 1000.00 -999 ? >GLY^A 154 14.81 -32.06 -39.11 14.46 -32.66 -39.56 14.64 -32.36 -39.34 1 0 1000.00 -999 ? >TRP^A 155 13.56 -28.74 -44.88 10.89 -31.19 -46.39 12.22 -29.97 -45.64 3 0 1000.00 -999 ? >SER^A 156 17.18 -29.56 -45.49 18.99 -29.97 -47.06 18.08 -29.76 -46.27 2 0 1000.00 -999 ? >LEU^A 157 16.70 -25.21 -47.46 15.18 -24.18 -46.29 15.94 -24.69 -46.87 3 0 1000.00 -999 ? >ILE^A 158 20.71 -28.43 -49.91 22.13 -27.97 -49.70 21.42 -28.20 -49.80 3 0 1000.00 -999 ? >THR^A 159 17.29 -31.32 -50.81 18.23 -33.18 -50.27 17.76 -32.25 -50.54 2 0 1000.00 -999 ? >ASN^A 160 13.02 -29.93 -50.89 13.83 -28.14 -51.73 13.43 -29.04 -51.31 2 0 1000.00 -999 ? >LYS^A 161 13.77 -33.76 -47.87 14.11 -36.54 -52.77 13.94 -35.15 -50.32 2 0 1000.00 -999 ? >ALA^B 2 11.59 -23.21 -93.58 12.09 -21.79 -93.88 11.84 -22.50 -93.73 2 0 1000.00 -999 ? >ASP^B 4 8.72 -27.52 -90.78 8.40 -26.67 -92.69 8.56 -27.09 -91.74 2 0 1000.00 -999 ? >THR^B 5 8.27 -27.26 -86.05 8.66 -25.65 -84.68 8.46 -26.45 -85.37 2 0 1000.00 -999 ? >TYR^B 6 7.23 -31.69 -86.93 7.39 -31.46 -89.70 7.31 -31.57 -88.31 3 0 1000.00 -999 ? >ILE^B 7 5.65 -30.43 -80.27 4.97 -29.87 -79.12 5.31 -30.15 -79.70 3 0 1000.00 -999 ? >LYS^B 8 5.64 -35.04 -79.46 7.30 -40.97 -80.23 6.47 -38.00 -79.85 2 0 1000.00 -999 ? >LEU^B 9 2.38 -35.35 -76.10 1.82 -33.62 -74.95 2.10 -34.49 -75.52 3 0 1000.00 -999 ? >ASP^B 10 4.17 -39.92 -73.48 6.27 -39.73 -73.56 5.22 -39.83 -73.52 2 0 1000.00 -999 ? >LYS^B 11 0.33 -41.28 -75.95 -0.30 -44.81 -71.18 0.01 -43.05 -73.56 2 0 1000.00 -999 ? >VAL^B 12 -1.11 -38.13 -77.59 -1.27 -36.40 -76.24 -1.19 -37.26 -76.91 3 0 1000.00 -999 ? >ASP^B 13 -2.24 -39.57 -82.10 -1.69 -41.51 -81.47 -1.96 -40.54 -81.78 2 0 1000.00 -999 ? >GLY^B 14 -1.32 -35.21 -83.27 -1.35 -36.02 -83.59 -1.33 -35.62 -83.43 1 0 1000.00 -999 ? >GLU^B 15 -4.24 -34.31 -88.08 -5.97 -33.27 -87.50 -5.10 -33.79 -87.79 2 0 1000.00 -999 ? >SER^B 16 1.34 -34.60 -88.79 3.68 -34.16 -89.21 2.51 -34.38 -89.00 2 0 1000.00 -999 ? >THR^B 17 2.13 -36.50 -91.95 0.52 -36.25 -93.35 1.32 -36.38 -92.65 2 0 1000.00 -999 ? >ASP^B 18 6.68 -34.89 -92.82 7.57 -34.75 -90.92 7.12 -34.82 -91.87 2 0 1000.00 -999 ? >ASP^B 19 8.97 -39.53 -93.90 8.21 -39.80 -95.86 8.59 -39.66 -94.88 2 0 1000.00 -999 ? >HIS^B 21 8.62 -35.03 -87.45 10.56 -34.35 -87.03 9.59 -34.69 -87.24 3 0 1000.00 -999 ? >LYS^B 22 4.13 -39.33 -88.23 6.19 -44.05 -91.97 5.16 -41.69 -90.10 2 0 1000.00 -999 ? >LYS^B 23 1.10 -38.37 -86.12 -2.11 -43.69 -85.32 -0.51 -41.03 -85.72 2 0 1000.00 -999 ? >TRP^B 24 5.85 -37.46 -84.57 8.68 -35.58 -82.60 7.26 -36.52 -83.58 3 0 1000.00 -999 ? >ILE^B 25 1.32 -31.84 -82.16 0.90 -32.18 -81.48 1.11 -32.01 -81.82 3 0 1000.00 -999 ? >GLU^B 26 2.14 -30.76 -88.51 1.40 -30.52 -90.48 1.77 -30.64 -89.49 2 0 1000.00 -999 ? >VAL^B 27 3.28 -26.40 -84.50 4.73 -26.33 -82.85 4.00 -26.37 -83.68 3 0 1000.00 -999 ? >LEU^B 28 2.74 -21.87 -85.86 1.11 -22.42 -87.12 1.93 -22.14 -86.49 3 0 1000.00 -999 ? >GLY^B 29 5.73 -20.99 -82.95 5.33 -21.66 -82.68 5.53 -21.32 -82.81 1 0 1000.00 -999 ? >PHE^B 30 9.71 -22.69 -80.41 12.09 -21.91 -81.59 10.90 -22.30 -81.00 3 0 1000.00 -999 ? >ALA^B 31 8.91 -19.22 -77.69 7.79 -18.22 -77.47 8.35 -18.72 -77.58 2 0 1000.00 -999 ? >TRP^B 32 11.76 -23.05 -72.84 15.65 -22.52 -73.00 13.70 -22.79 -72.92 3 0 1000.00 -999 ? >GLY^B 33 13.44 -18.75 -72.30 13.20 -19.42 -71.93 13.32 -19.08 -72.11 1 0 1000.00 -999 ? >ALA^B 34 15.83 -19.11 -69.43 16.60 -20.40 -69.53 16.22 -19.76 -69.48 2 0 1000.00 -999 ? >GLY^B 35 18.19 -16.89 -67.51 17.74 -17.36 -66.95 17.96 -17.13 -67.23 1 0 1000.00 -999 ? >ASN^B 36 20.84 -16.68 -63.62 22.42 -15.65 -64.57 21.63 -16.16 -64.10 2 0 1000.00 -999 ? >GLU^B 37 18.74 -14.61 -59.32 17.87 -14.48 -57.40 18.31 -14.54 -58.36 2 0 1000.00 -999 ? >CYH^B 38 22.25 -11.43 -62.34 24.89 -11.25 -63.24 23.57 -11.34 -62.79 2 0 1000.00 -999 ? >THR^B 39 21.83 -7.80 -61.28 20.88 -7.28 -59.41 21.36 -7.54 -60.35 2 0 1000.00 -999 ? >GLY^B 43 28.41 -2.37 -55.50 28.57 -3.07 -55.96 28.49 -2.72 -55.73 1 0 1000.00 -999 ? >GLN^B 45 35.32 -7.48 -55.96 35.97 -9.03 -57.27 35.64 -8.26 -56.61 2 0 1000.00 -999 ? >GLY^B 46 31.83 -10.81 -57.80 31.37 -10.09 -57.79 31.60 -10.45 -57.79 1 0 1000.00 -999 ? >LEU^B 47 29.12 -12.10 -61.61 29.51 -11.38 -63.62 29.31 -11.74 -62.62 3 0 1000.00 -999 ? >THR^B 49 24.34 -15.01 -60.56 24.51 -17.02 -61.27 24.43 -16.01 -60.92 2 0 1000.00 -999 ? >GLY^B 50 21.98 -16.14 -57.82 22.26 -16.57 -58.48 22.12 -16.35 -58.15 1 0 1000.00 -999 ? >LYS^B 51 19.42 -18.59 -58.83 16.07 -22.36 -58.94 17.74 -20.47 -58.88 2 0 1000.00 -999 ? >ALA^B 52 18.57 -20.14 -62.07 19.15 -21.38 -62.35 18.86 -20.76 -62.21 2 0 1000.00 -999 ? >MET?B 53 15.45 -20.01 -63.92 11.90 -21.14 -62.40 13.68 -20.57 -63.16 2 0 1000.00 -999 ? >MET?B 54 13.48 -21.13 -66.85 15.43 -25.39 -66.71 14.45 -23.26 -66.78 2 0 1000.00 -999 ? >SER^B 55 10.19 -20.22 -68.52 10.22 -19.26 -70.78 10.20 -19.74 -69.65 2 0 1000.00 -999 ? >VAL^B 56 7.25 -22.24 -69.75 5.22 -22.36 -69.02 6.24 -22.30 -69.38 3 0 1000.00 -999 ? >LEU^B 57 7.66 -24.59 -73.94 7.96 -25.27 -75.98 7.81 -24.93 -74.96 3 0 1000.00 -999 ? >ARG^B 58 3.79 -17.99 -74.03 1.30 -16.30 -73.57 2.54 -17.15 -73.80 2 0 1000.00 -999 ? >VAL^B 59 3.23 -23.49 -78.28 3.35 -25.59 -78.80 3.29 -24.54 -78.54 3 0 1000.00 -999 ? >THR^B 60 1.05 -22.19 -81.08 0.82 -20.10 -81.52 0.94 -21.15 -81.30 2 0 1000.00 -999 ? >LYS^B 61 -0.89 -24.47 -83.43 -3.57 -28.69 -81.00 -2.23 -26.58 -82.22 2 0 1000.00 -999 ? >TRP^B 62 -2.92 -24.99 -88.60 -3.77 -21.17 -88.21 -3.34 -23.08 -88.41 3 0 1000.00 -999 ? >MET?B 63 -6.95 -27.29 -83.81 -10.96 -26.85 -82.49 -8.96 -27.07 -83.15 2 0 1000.00 -999 ? >ASP^B 64 -4.80 -31.20 -84.77 -3.56 -30.53 -83.24 -4.18 -30.87 -84.00 2 0 1000.00 -999 ? >CYH^B 65 -6.88 -34.31 -83.01 -4.68 -35.50 -84.10 -5.78 -34.91 -83.55 2 0 1000.00 -999 ? >ALA^B 66 -4.74 -33.43 -80.02 -3.29 -33.06 -80.13 -4.02 -33.25 -80.08 2 0 1000.00 -999 ? >SER^B 67 -6.90 -30.50 -78.99 -7.38 -29.51 -81.14 -7.14 -30.00 -80.07 2 0 1000.00 -999 ? >VAL^B 68 -9.32 -32.47 -76.86 -11.16 -33.57 -77.16 -10.24 -33.02 -77.01 3 0 1000.00 -999 ? >LYS^B 69 -6.51 -34.23 -75.02 -8.20 -37.51 -74.40 -7.36 -35.87 -74.71 2 0 1000.00 -999 ? >LEU^B 70 -4.27 -30.01 -75.73 -2.59 -30.64 -76.99 -3.43 -30.33 -76.36 3 0 1000.00 -999 ? >ALA^B 71 -7.97 -29.45 -73.31 -9.28 -29.43 -74.05 -8.62 -29.44 -73.68 2 0 1000.00 -999 ? >SER^B 72 -8.42 -32.26 -70.82 -9.72 -33.77 -72.18 -9.07 -33.01 -71.50 2 0 1000.00 -999 ? >ALA^B 73 -4.78 -32.21 -69.82 -3.58 -32.19 -70.74 -4.18 -32.20 -70.28 2 0 1000.00 -999 ? >ALA^B 74 -5.18 -28.61 -68.66 -5.86 -27.52 -69.44 -5.52 -28.07 -69.05 2 0 1000.00 -999 ? >VAL^B 75 -8.02 -29.10 -66.15 -9.89 -29.04 -67.26 -8.95 -29.07 -66.70 3 0 1000.00 -999 ? >GLN^B 76 -7.12 -35.00 -65.91 -8.08 -36.14 -67.42 -7.60 -35.57 -66.67 2 0 1000.00 -999 ? >GLY^B 77 -3.28 -31.48 -64.33 -3.54 -32.11 -64.80 -3.41 -31.79 -64.57 1 0 1000.00 -999 ? >GLN^B 78 -2.45 -36.24 -68.18 -3.62 -36.80 -69.87 -3.03 -36.52 -69.03 2 0 1000.00 -999 ? >ASN^B 79 2.06 -36.15 -64.76 2.02 -34.83 -63.11 2.04 -35.49 -63.93 2 0 1000.00 -999 ? >PHE^B 80 1.93 -35.53 -70.81 -0.68 -35.01 -71.51 0.63 -35.27 -71.16 3 0 1000.00 -999 ? >PRO^B 81 5.73 -40.06 -69.62 6.26 -37.94 -69.09 6.00 -39.00 -69.36 3 0 1000.00 -999 ? >THR^B 82 8.34 -36.44 -72.00 9.94 -37.66 -72.77 9.14 -37.05 -72.38 2 0 1000.00 -999 ? >LEU^B 83 7.16 -32.35 -73.98 6.03 -30.96 -75.19 6.60 -31.66 -74.58 3 0 1000.00 -999 ? >GLU^B 84 11.05 -35.89 -77.46 10.93 -37.79 -78.39 10.99 -36.84 -77.92 2 0 1000.00 -999 ? >LEU^B 85 10.33 -28.93 -78.96 9.83 -27.07 -79.99 10.08 -28.00 -79.48 3 0 1000.00 -999 ? >GLU^B 86 12.86 -32.58 -84.08 12.77 -34.69 -84.08 12.81 -33.63 -84.08 2 0 1000.00 -999 ? >ILE^B 87 12.94 -26.47 -85.29 12.88 -25.98 -84.55 12.91 -26.22 -84.92 3 0 1000.00 -999 ? >CYH^B 88 13.42 -29.32 -89.04 12.25 -31.64 -87.96 12.83 -30.48 -88.50 2 0 1000.00 -999 ? >THR^B 89 14.94 -27.68 -92.11 16.94 -28.40 -92.22 15.94 -28.04 -92.17 2 0 1000.00 -999 ? >GLY^B 92 18.75 -29.85 -97.13 18.00 -30.11 -97.32 18.37 -29.98 -97.22 1 0 1000.00 -999 ? >PHE^B 95 19.02 -32.18 -90.75 20.72 -30.05 -91.18 19.87 -31.11 -90.97 3 0 1000.00 -999 ? >ALA^B 96 16.17 -31.39 -87.06 15.53 -32.16 -85.92 15.85 -31.77 -86.49 2 0 1000.00 -999 ? >PHE^B 97 17.74 -26.61 -87.53 15.53 -24.94 -87.68 16.64 -25.77 -87.60 3 0 1000.00 -999 ? >CYH^B 98 17.36 -28.18 -83.02 16.63 -26.25 -81.22 17.00 -27.21 -82.12 2 0 1000.00 -999 ? >ILE^B 99 16.71 -32.29 -80.86 17.04 -32.65 -81.56 16.87 -32.47 -81.21 3 0 1000.00 -999 ? >TYR^B 100 14.25 -27.42 -77.01 15.57 -25.03 -76.37 14.91 -26.22 -76.69 3 0 1000.00 -999 ? >LYS^B 101 13.59 -32.41 -74.79 17.17 -36.84 -77.71 15.38 -34.62 -76.25 2 0 1000.00 -999 ? >PHE^B 102 10.47 -29.71 -72.56 10.94 -27.41 -74.06 10.71 -28.56 -73.31 3 0 1000.00 -999 ? >THR^B 103 10.89 -34.34 -68.89 12.65 -35.61 -68.66 11.77 -34.98 -68.77 2 0 1000.00 -999 ? >HIS^B 104 9.35 -35.44 -64.63 10.17 -37.27 -64.00 9.76 -36.35 -64.31 3 0 1000.00 -999 ? >VAL^B 105 5.69 -32.11 -68.48 6.31 -31.76 -70.52 6.00 -31.94 -69.50 3 0 1000.00 -999 ? >ALA^B 106 2.25 -30.64 -67.78 1.99 -30.27 -66.32 2.12 -30.45 -67.05 2 0 1000.00 -999 ? >VAL^B 107 -0.19 -28.42 -69.64 -1.50 -28.68 -71.37 -0.85 -28.55 -70.51 3 0 1000.00 -999 ? >SER^B 108 -0.43 -25.30 -67.47 1.45 -23.99 -68.28 0.51 -24.65 -67.88 2 0 1000.00 -999 ? >SER^B 109 -2.87 -23.54 -69.76 -1.96 -21.61 -70.91 -2.41 -22.58 -70.33 2 0 1000.00 -999 ? >TYR^B 110 -6.38 -25.61 -74.23 -7.82 -25.83 -76.58 -7.10 -25.72 -75.41 3 0 1000.00 -999 ? >GLN^B 111 -5.43 -19.38 -73.41 -7.07 -18.37 -72.52 -6.25 -18.87 -72.97 2 0 1000.00 -999 ? >CYH^B 112 -8.76 -21.38 -77.75 -10.25 -23.14 -79.25 -9.50 -22.26 -78.50 2 0 1000.00 -999 ? >SER^B 113 -9.98 -18.80 -80.24 -8.08 -17.55 -81.05 -9.03 -18.17 -80.65 2 0 1000.00 -999 ? >GLY^B 114 -11.51 -18.56 -83.70 -11.47 -17.82 -83.38 -11.49 -18.19 -83.54 1 0 1000.00 -999 ? >GLY^B 117 -14.43 -16.02 -91.30 -13.75 -15.64 -91.00 -14.09 -15.83 -91.15 1 0 1000.00 -999 ? >GLY^B 118 -11.05 -15.66 -92.99 -11.11 -16.44 -92.66 -11.08 -16.05 -92.82 1 0 1000.00 -999 ? >SER^B 119 -8.04 -17.77 -92.09 -7.64 -17.26 -89.74 -7.84 -17.51 -90.91 2 0 1000.00 -999 ? >ASP^B 120 -8.78 -22.48 -93.04 -10.45 -23.81 -93.19 -9.62 -23.14 -93.11 2 0 1000.00 -999 ? >PRO^B 122 -11.00 -23.42 -85.16 -9.19 -22.32 -85.88 -10.10 -22.87 -85.52 3 0 1000.00 -999 ? >GLN^B 123 -3.85 -19.91 -83.20 -3.03 -18.06 -83.87 -3.44 -18.98 -83.54 2 0 1000.00 -999 ? >GLU^B 124 -4.84 -25.10 -80.31 -5.35 -27.01 -79.49 -5.10 -26.06 -79.90 2 0 1000.00 -999 ? >THR^B 125 -2.03 -21.47 -77.63 -1.34 -19.45 -77.68 -1.69 -20.46 -77.65 2 0 1000.00 -999 ? >ILE^B 126 -0.60 -25.43 -75.55 -1.09 -25.95 -76.09 -0.84 -25.69 -75.82 3 0 1000.00 -999 ? >ASP^B 127 1.44 -22.32 -71.15 1.70 -20.39 -72.00 1.57 -21.35 -71.57 2 0 1000.00 -999 ? >PHE^B 128 3.54 -27.82 -73.26 1.86 -28.99 -75.12 2.70 -28.40 -74.19 3 0 1000.00 -999 ? >ALA^B 129 5.20 -26.52 -67.65 4.41 -26.26 -66.40 4.81 -26.39 -67.03 2 0 1000.00 -999 ? >TYR^B 130 9.59 -27.76 -68.70 10.95 -25.45 -69.40 10.27 -26.60 -69.05 3 0 1000.00 -999 ? >LYS^B 131 10.88 -30.17 -64.72 8.95 -29.51 -59.71 9.92 -29.84 -62.21 2 0 1000.00 -999 ? >GLU^B 132 14.68 -32.32 -65.10 15.44 -34.22 -64.57 15.06 -33.27 -64.84 2 0 1000.00 -999 ? >VAL^B 133 15.02 -30.13 -70.56 14.80 -28.15 -71.35 14.91 -29.14 -70.95 3 0 1000.00 -999 ? >THR^B 134 17.83 -30.32 -73.14 18.88 -32.19 -73.12 18.36 -31.25 -73.13 2 0 1000.00 -999 ? >TRP^B 135 21.58 -26.18 -74.22 18.67 -25.58 -71.66 20.12 -25.88 -72.94 3 0 1000.00 -999 ? >GLU^B 136 20.45 -32.33 -77.94 19.74 -34.24 -78.49 20.10 -33.29 -78.21 2 0 1000.00 -999 ? >TYR^B 137 22.35 -25.87 -83.10 22.72 -24.38 -85.42 22.53 -25.12 -84.26 3 0 1000.00 -999 ? >VAL^B 138 22.92 -29.19 -85.41 22.60 -31.25 -86.08 22.76 -30.22 -85.75 3 0 1000.00 -999 ? >PRO^B 139 26.59 -28.05 -87.05 24.51 -27.41 -87.45 25.55 -27.73 -87.25 3 0 1000.00 -999 ? >GLN^B 140 22.19 -27.69 -93.45 20.28 -26.92 -94.01 21.23 -27.31 -93.73 2 0 1000.00 -999 ? >GLY^B 144 23.10 -28.93 -98.27 23.72 -29.07 -97.76 23.41 -29.00 -98.02 1 0 1000.00 -999 ? >ALA^B 146 24.24 -31.60 -92.05 23.42 -32.47 -91.13 23.83 -32.04 -91.59 2 0 1000.00 -999 ? >GLY^B 147 27.26 -31.23 -89.80 26.56 -31.56 -89.40 26.91 -31.39 -89.60 1 0 1000.00 -999 ? >GLY^B 148 28.33 -32.43 -86.36 27.79 -31.82 -86.54 28.06 -32.13 -86.45 1 0 1000.00 -999 ? >LYS^B 149 25.82 -32.19 -83.53 21.12 -35.55 -81.90 23.47 -33.87 -82.72 2 0 1000.00 -999 ? >ILE^B 150 26.24 -28.09 -81.05 27.51 -27.76 -81.38 26.87 -27.92 -81.22 3 0 1000.00 -999 ? >GLY^B 151 26.78 -31.24 -77.41 26.20 -30.80 -77.74 26.49 -31.02 -77.58 1 0 1000.00 -999 ? >PRO^B 152 24.11 -34.20 -76.45 23.93 -31.97 -76.33 24.02 -33.09 -76.39 3 0 1000.00 -999 ? >GLU^B 153 25.57 -29.21 -72.73 26.88 -27.75 -73.52 26.23 -28.48 -73.12 2 0 1000.00 -999 ? >GLY^B 154 20.35 -28.87 -70.45 21.04 -28.86 -70.00 20.69 -28.87 -70.22 1 0 1000.00 -999 ? >TRP^B 155 18.12 -26.14 -64.66 21.57 -25.04 -63.17 19.85 -25.59 -63.91 3 0 1000.00 -999 ? >SER^B 156 16.99 -29.67 -64.07 16.46 -31.46 -62.50 16.72 -30.56 -63.29 2 0 1000.00 -999 ? >LEU^B 157 13.48 -27.08 -62.09 13.35 -25.26 -63.27 13.41 -26.17 -62.68 3 0 1000.00 -999 ? >ILE^B 158 14.27 -32.16 -59.64 13.16 -33.17 -59.86 13.71 -32.67 -59.75 3 0 1000.00 -999 ? >THR^B 159 18.46 -30.65 -58.74 19.61 -32.39 -59.28 19.04 -31.52 -59.01 2 0 1000.00 -999 ? >ASN^B 160 19.41 -26.26 -58.66 17.46 -26.07 -57.82 18.43 -26.17 -58.24 2 0 1000.00 -999 ? >LYS^B 161 22.36 -28.82 -61.68 24.60 -30.50 -56.79 23.48 -29.66 -59.24 2 0 1000.00 -999 ?