REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 20-MAY-08 3D7A COMPND UPF0201 PROTEIN PH1010; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: DUF54 FAMILY PROTEIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; SOURCE 3 ORGANISM_TAXID: 53953; SOURCE 4 STRAIN: OT3; SOURCE 5 GENE: PH1010; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562 AUTHOR M.SHIROKANE,K.I.MIYAZONO,Y.SAWANO,M.TANOKURA >MET.A 2 7.55 11.11 -36.29 8.18 12.79 -40.15 7.87 11.95 -38.22 2 0 1000.00 -999 ? >THR.A 3 5.61 7.97 -35.33 3.68 7.08 -35.77 4.65 7.52 -35.55 2 0 1000.00 -999 ? >MET.A 4 7.33 4.48 -35.01 10.46 4.65 -32.22 8.89 4.57 -33.61 2 0 1000.00 -999 ? >PHE.A 5 3.39 2.90 -32.88 2.78 4.73 -30.88 3.08 3.81 -31.88 3 0 1000.00 -999 ? >GLU.A 6 1.48 1.67 -39.18 2.18 3.38 -40.22 1.83 2.52 -39.70 2 0 1000.00 -999 ? >GLU^A 7 -4.14 1.27 -34.22 -5.86 1.12 -35.44 -5.00 1.20 -34.83 2 0 1000.00 -999 ? >VAL^A 8 -1.78 -0.03 -30.96 -0.38 0.19 -29.29 -1.08 0.08 -30.12 3 0 1000.00 -999 ? >GLU^A 9 -6.32 -4.09 -31.31 -7.03 -4.91 -33.11 -6.67 -4.50 -32.21 2 0 1000.00 -999 ? >VAL^A 10 -5.19 -3.99 -26.88 -4.37 -2.98 -25.07 -4.78 -3.48 -25.98 3 0 1000.00 -999 ? >GLU^A 11 -8.90 -8.47 -27.93 -9.05 -9.22 -29.93 -8.97 -8.84 -28.93 2 0 1000.00 -999 ? >ALA^A 12 -9.05 -8.58 -23.33 -8.70 -7.79 -22.03 -8.87 -8.18 -22.68 2 0 1000.00 -999 ? >TYR^A 13 -11.76 -12.90 -23.77 -11.47 -14.09 -26.29 -11.61 -13.49 -25.03 3 0 1000.00 -999 ? >VAL^A 14 -14.41 -9.50 -19.78 -14.81 -7.35 -19.52 -14.61 -8.42 -19.65 3 0 1000.00 -999 ? >TYR.A 15 -14.46 -14.22 -18.31 -12.79 -15.48 -20.18 -13.62 -14.85 -19.25 3 0 1000.00 -999 ? >PRO.A 16 -20.12 -14.11 -17.73 -18.97 -12.42 -16.71 -19.54 -13.27 -17.22 3 0 1000.00 -999 ? >THR.A 17 -18.07 -11.97 -12.81 -17.42 -13.87 -12.12 -17.74 -12.92 -12.46 2 0 1000.00 -999 ? >GLU.A 18 -13.62 -10.31 -14.78 -12.15 -10.44 -16.28 -12.88 -10.37 -15.53 2 0 1000.00 -999 ? >ASP~A 19 -15.64 -4.73 -12.86 -16.84 -3.29 -11.99 -16.24 -4.01 -12.43 2 0 1000.00 -999 ? >ILE~A 20 -16.92 -3.73 -18.69 -17.44 -3.05 -19.82 -17.18 -3.39 -19.25 3 0 1000.00 -999 ? >ARG~A 21 -17.57 1.34 -14.78 -20.29 1.26 -16.18 -18.93 1.30 -15.48 2 0 1000.00 -999 ? >LYS~A 22 -11.85 -2.59 -14.07 -13.65 -4.55 -8.34 -12.75 -3.57 -11.21 2 0 1000.00 -999 ? >VAL~A 23 -10.63 -4.40 -17.20 -11.06 -6.37 -18.11 -10.84 -5.39 -17.66 3 0 1000.00 -999 ? >LYS~A 24 -10.60 -1.06 -19.08 -15.62 1.89 -21.64 -13.11 0.42 -20.36 2 0 1000.00 -999 ? >LYS~A 25 -8.46 0.30 -16.24 -7.69 4.69 -15.88 -8.07 2.49 -16.06 2 0 1000.00 -999 ? >ALA~A 26 -5.97 -2.60 -16.45 -6.36 -4.03 -16.39 -6.17 -3.32 -16.42 2 0 1000.00 -999 ? >MET~A 27 -5.63 -1.93 -20.23 -8.90 -3.84 -22.15 -7.27 -2.88 -21.19 2 0 1000.00 -999 ? >LEU~A 28 -6.22 2.84 -19.34 -7.88 3.72 -20.47 -7.05 3.28 -19.91 3 0 1000.00 -999 ? >ASN~A 29 -2.55 0.23 -16.04 -3.67 0.97 -14.37 -3.11 0.60 -15.20 2 0 1000.00 -999 ? >LEU~A 30 -0.64 -1.68 -20.48 -0.54 -3.68 -19.66 -0.59 -2.68 -20.07 3 0 1000.00 -999 ? >ILE~A 31 -1.90 1.03 -24.31 -0.71 1.01 -25.23 -1.31 1.02 -24.77 3 0 1000.00 -999 ? >PRO.A 32 -0.96 5.58 -21.10 -2.60 4.64 -22.31 -1.78 5.11 -21.70 3 0 1000.00 -999 ? >GLY.A 33 -5.69 6.91 -24.31 -5.71 6.10 -24.26 -5.70 6.50 -24.29 1 0 1000.00 -999 ? >LEU.A 34 -7.32 2.40 -25.16 -5.75 0.91 -25.28 -6.54 1.65 -25.22 3 0 1000.00 -999 ? >GLN^A 35 -10.17 6.22 -29.04 -10.69 7.54 -27.42 -10.43 6.88 -28.23 2 0 1000.00 -999 ? >PHE^A 36 -12.00 0.83 -24.23 -9.83 0.81 -22.47 -10.92 0.82 -23.35 3 0 1000.00 -999 ? >GLU^A 37 -15.08 -0.14 -31.01 -15.53 -0.66 -33.02 -15.31 -0.40 -32.01 2 0 1000.00 -999 ? >ALA^A 38 -16.90 -3.97 -26.92 -17.45 -3.66 -25.55 -17.18 -3.81 -26.24 2 0 1000.00 -999 ? >PHE^A 39 -16.72 -6.55 -30.52 -15.54 -4.52 -32.06 -16.13 -5.53 -31.29 3 0 1000.00 -999 ? >ASP^A 40 -22.29 -9.26 -27.08 -23.27 -10.55 -25.76 -22.78 -9.91 -26.42 2 0 1000.00 -999 ? >LYS.A 41 -19.88 -13.21 -27.37 -17.86 -12.56 -32.28 -18.87 -12.89 -29.83 2 0 1000.00 -999 ? >GLY.A 42 -22.30 -14.49 -24.71 -21.55 -14.30 -24.54 -21.93 -14.39 -24.63 1 0 1000.00 -999 ? >GLU.A 43 -18.42 -17.93 -23.90 -17.38 -19.82 -23.91 -17.90 -18.87 -23.90 2 0 1000.00 -999 ? >TYR.A 44 -15.84 -14.16 -23.69 -15.06 -15.26 -26.14 -15.45 -14.71 -24.91 3 0 1000.00 -999 ? >VAL^A 45 -17.39 -9.77 -23.86 -18.63 -8.01 -23.48 -18.01 -8.89 -23.67 3 0 1000.00 -999 ? >ILE^A 46 -14.10 -9.29 -27.45 -13.38 -10.10 -28.47 -13.74 -9.69 -27.96 3 0 1000.00 -999 ? >LEU^A 47 -12.58 -5.12 -23.60 -13.08 -3.23 -22.60 -12.83 -4.18 -23.10 3 0 1000.00 -999 ? >VAL^A 48 -10.89 -3.87 -27.79 -10.81 -4.65 -29.85 -10.85 -4.26 -28.82 3 0 1000.00 -999 ? >GLY^A 49 -8.82 -0.73 -27.16 -8.61 -1.24 -27.79 -8.71 -0.99 -27.47 1 0 1000.00 -999 ? >ARG^A 50 -9.19 -0.19 -33.00 -8.42 -2.60 -34.74 -8.80 -1.40 -33.87 2 0 1000.00 -999 ? >THR^A 51 -4.94 4.23 -30.37 -3.55 4.94 -28.84 -4.25 4.58 -29.61 2 0 1000.00 -999 ? >LYS.A 52 -2.93 5.81 -33.20 -5.93 4.45 -38.57 -4.43 5.13 -35.88 2 0 1000.00 -999 ? >ASP.A 53 -1.91 8.66 -29.42 -0.99 10.31 -28.44 -1.45 9.49 -28.93 2 0 1000.00 -999 ? >LYS.A 54 2.48 8.39 -31.36 3.75 13.54 -33.94 3.12 10.96 -32.65 2 0 1000.00 -999 ? >ARG.A 55 3.69 12.16 -26.15 3.44 14.74 -27.81 3.56 13.45 -26.98 2 0 1000.00 -999 ? >ALA.A 56 0.94 5.45 -26.90 0.04 4.76 -27.94 0.49 5.10 -27.42 2 0 1000.00 -999 ? >LEU~A 57 4.88 2.67 -27.17 4.14 0.98 -28.40 4.51 1.83 -27.79 3 0 1000.00 -999 ? >GLN~A 58 6.02 8.01 -22.41 8.11 8.04 -23.00 7.06 8.03 -22.70 2 0 1000.00 -999 ? >ARG~A 59 2.62 4.48 -17.84 4.27 4.20 -15.22 3.44 4.34 -16.53 2 0 1000.00 -999 ? >LEU~A 60 5.12 -0.25 -22.96 3.71 -1.89 -23.00 4.42 -1.08 -22.98 3 0 1000.00 -999 ? >TYR~A 61 10.26 4.14 -23.47 12.72 5.28 -23.92 11.49 4.71 -23.70 3 0 1000.00 -999 ? >GLU~A 62 8.12 6.01 -18.99 6.64 7.47 -18.53 7.38 6.74 -18.76 2 0 1000.00 -999 ? >LEU~A 63 6.15 -0.32 -17.36 4.37 0.20 -16.28 5.26 -0.06 -16.82 3 0 1000.00 -999 ? >PHE~A 64 9.27 -2.72 -21.25 7.23 -3.96 -22.74 8.25 -3.34 -21.99 3 0 1000.00 -999 ? >ARG~A 65 13.57 2.99 -20.40 13.40 1.89 -23.24 13.48 2.44 -21.82 2 0 1000.00 -999 ? >GLY~A 66 11.63 1.02 -14.16 11.64 0.31 -14.55 11.63 0.67 -14.36 1 0 1000.00 -999 ? >GLN~A 67 8.24 -2.96 -13.68 6.62 -4.05 -14.57 7.43 -3.50 -14.12 2 0 1000.00 -999 ? >GLN.A 68 15.52 -2.33 -13.23 16.97 -2.44 -11.70 16.24 -2.39 -12.47 2 0 1000.00 -999 ? >ILE~A 69 11.29 -6.61 -17.07 9.93 -6.56 -16.51 10.61 -6.59 -16.79 3 0 1000.00 -999 ? >LEU~A 70 15.44 -3.91 -20.79 15.32 -1.71 -21.12 15.38 -2.81 -20.96 3 0 1000.00 -999 ? >ASP~A 71 16.81 -9.10 -20.53 18.76 -8.18 -20.43 17.78 -8.64 -20.48 2 0 1000.00 -999 ? >THR~A 72 12.47 -10.21 -20.87 11.52 -11.20 -19.16 12.00 -10.71 -20.01 2 0 1000.00 -999 ? >ALA~A 73 10.54 -7.48 -22.67 10.55 -6.03 -22.33 10.55 -6.76 -22.50 2 0 1000.00 -999 ? >ARG~A 74 14.27 -6.53 -28.02 16.62 -5.47 -29.64 15.45 -6.00 -28.83 2 0 1000.00 -999 ? >MET~A 75 12.58 -11.58 -25.79 13.19 -15.06 -23.62 12.88 -13.32 -24.70 2 0 1000.00 -999 ? >MET~A 76 8.78 -11.27 -25.73 7.86 -13.39 -23.58 8.32 -12.33 -24.65 2 0 1000.00 -999 ? >LEU~A 77 9.35 -7.22 -28.48 8.65 -5.35 -27.49 9.00 -6.28 -27.98 3 0 1000.00 -999 ? >GLU~A 78 13.34 -10.03 -30.17 14.09 -9.38 -32.03 13.71 -9.71 -31.10 2 0 1000.00 -999 ? >GLU~A 79 9.67 -15.34 -28.22 9.34 -16.60 -26.55 9.50 -15.97 -27.39 2 0 1000.00 -999 ? >GLY~A 80 5.65 -11.78 -30.95 6.32 -11.66 -31.34 5.99 -11.72 -31.15 1 0 1000.00 -999 ? >TYR^A 81 9.05 -9.30 -35.49 9.82 -8.44 -38.00 9.44 -8.87 -36.74 3 0 1000.00 -999 ? >PHE^A 82 4.37 -13.22 -35.98 4.63 -14.94 -33.80 4.50 -14.08 -34.89 3 0 1000.00 -999 ? >GLY.A 83 5.36 -9.31 -40.55 5.56 -9.01 -39.80 5.46 -9.16 -40.17 1 0 1000.00 -999 ? >GLU.A 84 3.45 -3.75 -41.03 2.67 -3.15 -42.94 3.06 -3.45 -41.98 2 0 1000.00 -999 ? >GLU^A 85 0.35 -6.73 -36.98 -1.55 -7.59 -36.75 -0.60 -7.16 -36.86 2 0 1000.00 -999 ? >ILE^A 86 5.46 -6.27 -32.29 6.78 -5.79 -32.08 6.12 -6.03 -32.18 3 0 1000.00 -999 ? >ILE^A 87 1.11 -9.97 -30.82 0.32 -11.17 -30.78 0.71 -10.57 -30.80 3 0 1000.00 -999 ? >ILE^A 88 3.70 -8.57 -25.73 4.65 -7.37 -25.64 4.18 -7.97 -25.69 3 0 1000.00 -999 ? >LYS^A 89 0.48 -11.00 -23.86 -3.66 -14.97 -26.32 -1.59 -12.98 -25.09 2 0 1000.00 -999 ? >VAL^A 90 0.55 -9.73 -20.30 0.88 -7.63 -20.75 0.72 -8.68 -20.52 3 0 1000.00 -999 ? >HIS^A 91 -0.82 -11.84 -14.69 -1.80 -12.83 -13.12 -1.31 -12.33 -13.90 3 0 1000.00 -999 ? >LYS~A 92 -4.39 -9.07 -16.54 -10.13 -10.45 -17.97 -7.26 -9.76 -17.26 2 0 1000.00 -999 ? >GLN~A 93 -5.71 -10.96 -12.05 -7.57 -9.93 -12.39 -6.64 -10.44 -12.22 2 0 1000.00 -999 ? >VAL~A 94 -0.81 -7.44 -12.58 1.24 -8.25 -12.45 0.21 -7.85 -12.51 3 0 1000.00 -999 ? >ALA~A 95 -1.79 -4.87 -15.23 -2.37 -5.18 -16.64 -2.08 -5.02 -15.93 2 0 1000.00 -999 ? >TYR~A 96 -6.91 -3.98 -11.60 -8.97 -2.64 -10.22 -7.94 -3.31 -10.91 3 0 1000.00 -999 ? >VAL~A 97 -2.14 -2.81 -10.31 -1.66 -4.47 -8.96 -1.90 -3.64 -9.63 3 0 1000.00 -999 ? >GLY.A 98 -0.18 -0.98 -13.03 0.08 -1.69 -12.85 -0.05 -1.34 -12.94 1 0 1000.00 -999 ? >LYS.A 99 2.78 -3.26 -13.79 5.83 0.47 -11.36 4.30 -1.39 -12.58 2 0 1000.00 -999 ? >VAL.A 100 3.91 -5.53 -16.63 4.71 -5.07 -18.61 4.31 -5.30 -17.62 3 0 1000.00 -999 ? >ASN.A 101 3.38 -9.79 -14.87 4.31 -11.52 -14.08 3.85 -10.65 -14.48 2 0 1000.00 -999 ? >PHE.A 102 6.22 -10.28 -20.57 6.92 -7.86 -21.75 6.57 -9.07 -21.16 3 0 1000.00 -999 ? >ASN.A 103 3.65 -14.98 -15.61 3.40 -17.04 -15.06 3.53 -16.01 -15.34 2 0 1000.00 -999 ? >GLU.A 104 1.05 -15.73 -21.71 -0.57 -14.59 -20.94 0.24 -15.16 -21.33 2 0 1000.00 -999 ? >ASP.A 105 -0.40 -18.94 -15.86 -0.09 -20.85 -16.69 -0.24 -19.90 -16.28 2 0 1000.00 -999 ? >SER.A 106 -3.44 -15.04 -16.14 -4.18 -12.76 -16.84 -3.81 -13.90 -16.49 2 0 1000.00 -999 ? >PRO.A 107 -5.16 -15.15 -12.11 -5.92 -15.32 -14.19 -5.54 -15.24 -13.15 3 0 1000.00 -999 ? >LEU.A 108 -10.04 -16.32 -17.00 -9.13 -18.24 -17.68 -9.58 -17.28 -17.34 3 0 1000.00 -999 ? >GLY.A 109 -7.36 -14.24 -19.84 -6.90 -14.14 -19.12 -7.13 -14.19 -19.48 1 0 1000.00 -999 ? >PRO^A 110 -3.97 -13.82 -22.44 -4.74 -12.82 -20.58 -4.36 -13.32 -21.51 3 0 1000.00 -999 ? >ILE^A 111 -4.16 -7.51 -21.28 -4.77 -6.21 -20.80 -4.47 -6.86 -21.04 3 0 1000.00 -999 ? >THR^A 112 -2.99 -8.90 -25.58 -3.30 -10.52 -27.00 -3.14 -9.71 -26.29 2 0 1000.00 -999 ? >ILE^A 113 -0.10 -5.11 -26.10 0.31 -4.13 -25.19 0.11 -4.62 -25.64 3 0 1000.00 -999 ? >THR^A 114 -0.66 -5.67 -30.73 -1.76 -6.92 -32.10 -1.21 -6.29 -31.41 2 0 1000.00 -999 ? >ILE^A 115 3.01 -2.75 -31.60 3.89 -2.16 -30.72 3.45 -2.45 -31.16 3 0 1000.00 -999 ? >ARG^A 116 -1.68 -2.76 -38.62 -1.57 -0.11 -40.23 -1.63 -1.44 -39.43 2 0 1000.00 -999 ? >THR.A 117 4.48 -1.13 -37.31 6.31 -1.39 -36.16 5.39 -1.26 -36.73 2 0 1000.00 -999 ? >LYS.A 118 6.38 -0.70 -40.56 3.73 3.21 -44.42 5.05 1.26 -42.49 2 0 1000.00 -999 ? >GLU~A 119 9.57 1.95 -38.02 10.50 3.81 -38.20 10.04 2.88 -38.11 2 0 1000.00 -999 ? >PRO~A 120 9.42 -4.74 -38.02 9.71 -2.91 -36.74 9.56 -3.82 -37.38 3 0 1000.00 -999 ? >GLN~A 121 14.48 -5.26 -37.37 14.67 -6.88 -35.99 14.57 -6.07 -36.68 2 0 1000.00 -999 ? >LYS~A 122 13.70 0.12 -34.84 15.25 3.91 -39.63 14.47 2.02 -37.24 2 0 1000.00 -999 ? >LEU~A 123 9.23 -0.61 -32.98 7.37 -0.68 -31.81 8.30 -0.65 -32.39 3 0 1000.00 -999 ? >MET~A 124 12.02 -3.12 -30.61 11.23 -7.07 -31.81 11.63 -5.09 -31.21 2 0 1000.00 -999 ? >LYS~A 125 15.49 -1.53 -30.30 18.07 -3.91 -34.99 16.78 -2.72 -32.64 2 0 1000.00 -999 ? >TRP~A 126 12.85 4.98 -28.78 9.11 4.24 -27.83 10.98 4.61 -28.30 3 0 1000.00 -999 ? >LEU~A 127 10.08 -0.61 -27.27 8.22 -0.76 -26.03 9.15 -0.69 -26.65 3 0 1000.00 -999 ? >ALA~A 128 13.47 -2.72 -25.32 12.66 -4.03 -25.24 13.07 -3.37 -25.28 2 0 1000.00 -999 ? >PRO.A 129 17.01 -0.25 -24.61 16.47 -2.07 -25.82 16.74 -1.16 -25.21 3 0 1000.00 -999 ? >ARG.A 130 18.50 -7.61 -26.44 20.45 -9.79 -25.48 19.47 -8.70 -25.96 2 0 1000.00 -999 ? >THR^A 131 21.88 -3.69 -22.46 20.33 -2.49 -21.53 21.10 -3.09 -22.00 2 0 1000.00 -999 ? >LYS^A 132 24.58 -4.80 -20.05 27.63 -8.75 -17.07 26.10 -6.77 -18.56 2 0 1000.00 -999 ? >ASP.A 133 25.87 -2.81 -16.18 26.57 -4.71 -15.43 26.22 -3.76 -15.81 2 0 1000.00 -999 ? >GLY.A 134 22.47 -0.11 -18.62 23.08 -0.52 -18.97 22.77 -0.31 -18.80 1 0 1000.00 -999 ? >VAL^A 135 25.16 0.01 -21.33 27.35 0.17 -21.03 26.25 0.09 -21.18 3 0 1000.00 -999 ? >PRO^A 136 24.00 1.78 -25.15 24.23 -0.32 -24.30 24.11 0.73 -24.72 3 0 1000.00 -999 ? >ILE.A 137 25.26 -5.26 -25.48 25.03 -5.98 -24.19 25.14 -5.62 -24.83 3 0 1000.00 -999 ? >GLU.A 138 21.09 -3.23 -29.72 19.17 -4.14 -29.59 20.13 -3.68 -29.66 2 0 1000.00 -999 ? >PHE.B 5 -26.86 -31.91 3.58 -28.82 -29.98 3.13 -27.84 -30.94 3.35 3 0 1000.00 -999 ? >GLU.B 6 -24.46 -32.71 10.27 -24.80 -31.09 11.61 -24.63 -31.90 10.94 2 0 1000.00 -999 ? >GLU^B 7 -21.89 -26.81 6.57 -19.99 -26.29 7.38 -20.94 -26.55 6.98 2 0 1000.00 -999 ? >VAL^B 8 -22.77 -27.22 2.58 -24.08 -27.43 0.79 -23.43 -27.33 1.68 3 0 1000.00 -999 ? >GLU^B 9 -17.39 -24.27 3.05 -15.73 -24.78 4.19 -16.56 -24.53 3.62 2 0 1000.00 -999 ? >VAL^B 10 -18.91 -23.02 -0.97 -20.67 -22.67 -2.19 -19.79 -22.85 -1.58 3 0 1000.00 -999 ? >GLU^B 11 -13.14 -21.17 -1.29 -11.41 -22.20 -0.70 -12.27 -21.68 -0.99 2 0 1000.00 -999 ? >ALA^B 12 -14.46 -19.03 -4.74 -15.65 -18.47 -5.51 -15.05 -18.75 -5.13 2 0 1000.00 -999 ? >TYR^B 13 -9.43 -17.96 -5.26 -7.92 -19.85 -3.89 -8.67 -18.91 -4.57 3 0 1000.00 -999 ? >VAL^B 14 -12.33 -12.98 -6.17 -14.03 -11.85 -5.35 -13.18 -12.42 -5.76 3 0 1000.00 -999 ? >TYR.B 15 -8.69 -13.44 -9.64 -7.58 -15.95 -9.28 -8.14 -14.70 -9.46 3 0 1000.00 -999 ? >PRO.B 16 -6.70 -8.24 -8.12 -8.91 -8.47 -8.59 -7.81 -8.35 -8.35 3 0 1000.00 -999 ? >THR.B 17 -10.87 -7.34 -11.93 -9.65 -8.08 -13.58 -10.26 -7.71 -12.75 2 0 1000.00 -999 ? >GLU.B 18 -13.40 -11.60 -10.90 -13.53 -13.56 -10.14 -13.47 -12.58 -10.52 2 0 1000.00 -999 ? >ASP~B 19 -18.07 -7.13 -9.08 -19.42 -6.24 -7.74 -18.75 -6.68 -8.41 2 0 1000.00 -999 ? >ILE~B 20 -16.75 -9.13 -3.71 -17.00 -8.69 -2.33 -16.88 -8.91 -3.02 3 0 1000.00 -999 ? >ARG~B 21 -21.70 -5.34 -4.56 -21.79 -3.09 -6.64 -21.75 -4.21 -5.60 2 0 1000.00 -999 ? >LYS~B 22 -21.08 -10.94 -8.73 -20.19 -7.14 -13.79 -20.64 -9.04 -11.26 2 0 1000.00 -999 ? >VAL~B 23 -19.15 -13.89 -7.32 -17.00 -14.30 -7.12 -18.07 -14.09 -7.22 3 0 1000.00 -999 ? >LYS~B 24 -21.53 -13.94 -4.37 -20.40 -10.60 0.88 -20.97 -12.27 -1.74 2 0 1000.00 -999 ? >LYS~B 25 -24.40 -14.01 -6.84 -28.01 -12.41 -10.98 -26.21 -13.21 -8.91 2 0 1000.00 -999 ? >ALA~B 26 -22.93 -17.08 -8.58 -21.61 -17.10 -9.29 -22.27 -17.09 -8.94 2 0 1000.00 -999 ? >MET~B 27 -22.39 -18.99 -5.34 -19.11 -17.46 -3.44 -20.75 -18.23 -4.39 2 0 1000.00 -999 ? >LEU~B 28 -26.49 -16.90 -3.73 -26.20 -16.09 -1.73 -26.35 -16.50 -2.73 3 0 1000.00 -999 ? >ASN~B 29 -26.86 -18.89 -8.87 -27.65 -17.10 -9.57 -27.25 -17.99 -9.22 2 0 1000.00 -999 ? >LEU~B 30 -24.67 -23.19 -7.06 -24.54 -23.54 -9.27 -24.61 -23.36 -8.17 3 0 1000.00 -999 ? >ILE~B 31 -25.29 -23.48 -2.07 -25.50 -24.92 -1.79 -25.40 -24.20 -1.93 3 0 1000.00 -999 ? >PRO.B 32 -30.64 -22.11 -1.61 -28.67 -21.03 -1.67 -29.65 -21.57 -1.64 3 0 1000.00 -999 ? >GLY.B 33 -28.72 -18.96 2.11 -28.03 -19.11 1.71 -28.38 -19.04 1.91 1 0 1000.00 -999 ? >LEU.B 34 -23.99 -18.97 1.27 -23.33 -20.63 0.03 -23.66 -19.80 0.65 3 0 1000.00 -999 ? >GLN^B 35 -24.71 -17.49 7.01 -25.36 -16.62 8.84 -25.04 -17.06 7.92 2 0 1000.00 -999 ? >PHE^B 36 -20.83 -14.98 1.61 -22.35 -15.86 -0.55 -21.59 -15.42 0.53 3 0 1000.00 -999 ? >GLU^B 37 -16.09 -15.35 7.70 -14.76 -16.42 8.90 -15.42 -15.88 8.30 2 0 1000.00 -999 ? >ALA^B 38 -13.89 -13.02 3.10 -14.28 -11.75 2.35 -14.09 -12.38 2.73 2 0 1000.00 -999 ? >PHE^B 39 -10.58 -15.65 4.70 -12.26 -16.99 6.50 -11.42 -16.32 5.60 3 0 1000.00 -999 ? >ASP^B 40 -7.54 -9.52 1.98 -6.52 -8.44 0.43 -7.03 -8.98 1.20 2 0 1000.00 -999 ? >LYS.B 41 -4.68 -12.82 0.22 -4.93 -16.78 3.98 -4.80 -14.80 2.10 2 0 1000.00 -999 ? >GLY.B 42 -3.53 -9.85 -1.82 -4.04 -10.39 -2.13 -3.79 -10.12 -1.97 1 0 1000.00 -999 ? >GLU.B 43 -1.16 -12.02 -6.30 0.16 -11.85 -4.64 -0.50 -11.94 -5.47 2 0 1000.00 -999 ? >TYR.B 44 -6.64 -14.78 -4.93 -5.17 -16.92 -3.99 -5.90 -15.85 -4.46 3 0 1000.00 -999 ? >VAL^B 45 -9.74 -12.49 -1.93 -11.07 -10.92 -1.12 -10.40 -11.71 -1.52 3 0 1000.00 -999 ? >ILE^B 46 -10.30 -16.93 0.01 -9.59 -18.17 0.22 -9.94 -17.55 0.12 3 0 1000.00 -999 ? >LEU^B 47 -15.88 -15.53 -1.43 -17.23 -13.86 -1.49 -16.56 -14.69 -1.46 3 0 1000.00 -999 ? >VAL^B 48 -16.28 -18.76 1.81 -14.91 -20.05 2.93 -15.60 -19.41 2.37 3 0 1000.00 -999 ? >GLY^B 49 -20.01 -19.42 2.17 -19.51 -20.05 2.32 -19.76 -19.74 2.24 1 0 1000.00 -999 ? >ARG^B 50 -19.11 -22.29 7.25 -16.10 -21.80 6.85 -17.61 -22.05 7.05 2 0 1000.00 -999 ? >THR^B 51 -25.41 -23.06 5.30 -26.98 -23.19 3.77 -26.19 -23.13 4.54 2 0 1000.00 -999 ? >LYS.B 52 -27.03 -25.92 7.22 -26.98 -27.69 11.77 -27.00 -26.81 9.50 2 0 1000.00 -999 ? >ASP.B 53 -30.90 -24.17 4.93 -32.77 -24.31 3.98 -31.83 -24.24 4.45 2 0 1000.00 -999 ? >LYS.B 54 -31.97 -28.76 4.65 -33.86 -34.55 4.61 -32.91 -31.65 4.63 2 0 1000.00 -999 ? >ARG.B 55 -36.68 -25.68 1.68 -38.58 -27.25 3.48 -37.63 -26.46 2.58 2 0 1000.00 -999 ? >ALA.B 56 -29.53 -26.27 0.68 -28.39 -26.49 1.70 -28.96 -26.38 1.19 2 0 1000.00 -999 ? >LEU~B 57 -28.72 -30.11 -1.91 -26.68 -30.55 -1.35 -27.70 -30.33 -1.63 3 0 1000.00 -999 ? >GLN~B 58 -35.16 -27.33 -4.22 -36.02 -29.02 -5.26 -35.59 -28.18 -4.74 2 0 1000.00 -999 ? >ARG~B 59 -32.13 -23.15 -7.86 -33.37 -23.41 -10.65 -32.75 -23.28 -9.26 2 0 1000.00 -999 ? >LEU~B 60 -27.43 -28.99 -6.57 -25.49 -28.03 -6.57 -26.46 -28.51 -6.57 3 0 1000.00 -999 ? >TYR~B 61 -33.01 -32.73 -6.01 -34.87 -34.78 -6.16 -33.94 -33.76 -6.08 3 0 1000.00 -999 ? >GLU~B 62 -35.33 -28.06 -8.56 -36.01 -26.22 -7.79 -35.67 -27.14 -8.18 2 0 1000.00 -999 ? >LEU~B 63 -29.52 -27.17 -11.53 -29.55 -25.01 -11.80 -29.53 -26.09 -11.66 3 0 1000.00 -999 ? >PHE~B 64 -27.42 -32.30 -10.31 -25.12 -31.61 -8.90 -26.27 -31.96 -9.60 3 0 1000.00 -999 ? >ARG~B 65 -34.15 -34.29 -10.11 -32.16 -35.77 -8.26 -33.16 -35.03 -9.19 2 0 1000.00 -999 ? >GLY~B 66 -33.61 -29.86 -15.33 -32.93 -30.29 -15.38 -33.27 -30.08 -15.35 1 0 1000.00 -999 ? >GLN~B 67 -29.11 -27.59 -16.41 -27.23 -26.91 -15.64 -28.17 -27.25 -16.02 2 0 1000.00 -999 ? >GLN.B 68 -32.51 -33.61 -19.08 -33.35 -33.25 -21.04 -32.93 -33.43 -20.06 2 0 1000.00 -999 ? >ILE~B 69 -25.98 -32.70 -16.12 -25.81 -31.25 -15.96 -25.89 -31.97 -16.04 3 0 1000.00 -999 ? >LEU~B 70 -28.80 -37.56 -13.62 -30.47 -37.17 -12.25 -29.63 -37.36 -12.94 3 0 1000.00 -999 ? >ASP~B 71 -24.75 -39.54 -16.70 -24.74 -38.03 -18.22 -24.74 -38.79 -17.46 2 0 1000.00 -999 ? >THR~B 72 -22.07 -36.31 -15.13 -21.35 -34.87 -16.55 -21.71 -35.59 -15.84 2 0 1000.00 -999 ? >ALA~B 73 -23.20 -35.17 -11.65 -24.59 -34.62 -11.29 -23.90 -34.89 -11.47 2 0 1000.00 -999 ? >ARG~B 74 -23.65 -40.75 -8.08 -25.04 -43.14 -6.74 -24.35 -41.95 -7.41 2 0 1000.00 -999 ? >MET~B 75 -19.62 -39.22 -11.76 -17.73 -39.13 -15.44 -18.68 -39.18 -13.60 2 0 1000.00 -999 ? >MET~B 76 -18.38 -35.90 -10.32 -16.65 -34.29 -12.61 -17.51 -35.10 -11.46 2 0 1000.00 -999 ? >LEU~B 77 -21.21 -36.81 -6.42 -22.85 -35.37 -6.14 -22.03 -36.09 -6.28 3 0 1000.00 -999 ? >GLU~B 78 -19.82 -41.78 -7.64 -20.04 -43.20 -6.08 -19.93 -42.49 -6.86 2 0 1000.00 -999 ? >GLU~B 79 -13.44 -38.21 -10.20 -13.56 -37.37 -12.16 -13.50 -37.79 -11.18 2 0 1000.00 -999 ? >GLY~B 80 -15.05 -36.04 -5.23 -15.30 -36.79 -5.08 -15.17 -36.42 -5.15 1 0 1000.00 -999 ? >TYR^B 81 -17.53 -40.47 -1.80 -18.00 -42.43 0.15 -17.76 -41.45 -0.82 3 0 1000.00 -999 ? >PHE^B 82 -12.75 -41.47 1.27 -12.18 -43.82 2.66 -12.47 -42.65 1.97 3 0 1000.00 -999 ? >GLY.B 83 -15.78 -40.54 4.12 -16.28 -40.17 3.56 -16.03 -40.35 3.84 1 0 1000.00 -999 ? >GLU.B 84 -18.06 -38.54 7.67 -18.36 -38.01 9.69 -18.21 -38.27 8.68 2 0 1000.00 -999 ? >GLU^B 85 -15.32 -33.33 2.39 -13.38 -32.67 2.85 -14.35 -33.00 2.62 2 0 1000.00 -999 ? >ILE^B 86 -19.38 -35.30 -1.66 -20.35 -36.15 -2.07 -19.87 -35.73 -1.86 3 0 1000.00 -999 ? >ILE^B 87 -14.71 -31.84 -2.82 -13.63 -31.24 -2.23 -14.17 -31.54 -2.53 3 0 1000.00 -999 ? >ILE^B 88 -18.72 -31.06 -7.02 -20.08 -31.33 -6.93 -19.40 -31.20 -6.98 3 0 1000.00 -999 ? >LYS^B 89 -15.96 -27.99 -8.70 -11.30 -27.04 -6.21 -13.63 -27.51 -7.45 2 0 1000.00 -999 ? >VAL^B 90 -18.27 -26.02 -10.92 -20.06 -26.06 -9.63 -19.16 -26.04 -10.27 3 0 1000.00 -999 ? >HIS~B 91 -17.63 -22.58 -15.95 -16.67 -21.39 -17.40 -17.15 -21.98 -16.68 3 0 1000.00 -999 ? >LYS~B 92 -18.02 -19.83 -11.95 -13.83 -16.28 -9.51 -15.93 -18.06 -10.73 2 0 1000.00 -999 ? >GLN~B 93 -17.00 -17.28 -15.88 -16.89 -15.55 -14.60 -16.94 -16.41 -15.24 2 0 1000.00 -999 ? >VAL~B 94 -21.97 -20.59 -15.73 -22.16 -22.34 -17.02 -22.06 -21.46 -16.37 3 0 1000.00 -999 ? >ALA~B 95 -22.95 -20.48 -12.03 -22.06 -20.76 -10.83 -22.50 -20.62 -11.43 2 0 1000.00 -999 ? >TYR~B 96 -22.69 -14.33 -13.02 -23.43 -11.66 -13.09 -23.06 -13.00 -13.05 3 0 1000.00 -999 ? >VAL~B 97 -26.07 -17.29 -15.05 -25.17 -17.57 -17.03 -25.62 -17.43 -16.04 3 0 1000.00 -999 ? >GLY.B 98 -27.73 -19.87 -12.81 -27.23 -20.20 -13.30 -27.48 -20.04 -13.06 1 0 1000.00 -999 ? >LYS.B 99 -26.58 -23.24 -14.21 -28.29 -21.58 -19.29 -27.43 -22.41 -16.75 2 0 1000.00 -999 ? >VAL.B 100 -24.23 -26.07 -13.34 -24.48 -27.56 -11.78 -24.36 -26.82 -12.56 3 0 1000.00 -999 ? >ASN.B 101 -20.93 -25.82 -16.57 -19.78 -26.51 -18.22 -20.35 -26.17 -17.39 2 0 1000.00 -999 ? >PHE.B 102 -19.96 -31.06 -13.08 -21.91 -31.55 -11.14 -20.93 -31.30 -12.11 3 0 1000.00 -999 ? >ASN.B 103 -16.28 -27.62 -18.38 -14.48 -27.23 -19.45 -15.38 -27.42 -18.91 2 0 1000.00 -999 ? >GLU.B 104 -12.91 -28.19 -12.58 -14.97 -27.60 -12.59 -13.94 -27.89 -12.58 2 0 1000.00 -999 ? >ASP.B 105 -10.65 -24.82 -18.39 -8.98 -23.58 -18.66 -9.81 -24.20 -18.53 2 0 1000.00 -999 ? >SER.B 106 -13.40 -22.01 -15.38 -14.77 -21.20 -13.53 -14.08 -21.60 -14.46 2 0 1000.00 -999 ? >PRO.B 107 -13.82 -18.66 -18.18 -12.87 -19.06 -16.19 -13.35 -18.86 -17.18 3 0 1000.00 -999 ? >LEU.B 108 -11.93 -15.52 -12.75 -11.42 -13.55 -13.55 -11.67 -14.53 -13.15 3 0 1000.00 -999 ? >GLY.B 109 -11.17 -20.25 -11.21 -11.84 -19.97 -11.58 -11.50 -20.11 -11.39 1 0 1000.00 -999 ? >PRO.B 110 -12.29 -24.19 -9.62 -13.33 -22.33 -10.37 -12.81 -23.26 -10.00 3 0 1000.00 -999 ? >ILE^B 111 -18.00 -22.07 -7.55 -19.13 -21.25 -7.22 -18.56 -21.66 -7.38 3 0 1000.00 -999 ? >THR^B 112 -15.75 -25.39 -5.09 -13.76 -26.09 -4.50 -14.76 -25.74 -4.80 2 0 1000.00 -999 ? >ILE^B 113 -20.09 -27.12 -4.01 -21.42 -26.79 -4.36 -20.76 -26.95 -4.19 3 0 1000.00 -999 ? >THR^B 114 -18.22 -29.10 -0.23 -16.44 -29.27 0.97 -17.33 -29.19 0.37 2 0 1000.00 -999 ? >ILE^B 115 -21.99 -32.08 0.13 -23.08 -32.32 -0.67 -22.53 -32.20 -0.27 3 0 1000.00 -999 ? >ARG^B 116 -17.79 -30.41 6.56 -15.96 -28.24 5.34 -16.87 -29.33 5.95 2 0 1000.00 -999 ? >THR.B 117 -22.60 -35.57 5.33 -23.48 -36.60 3.62 -23.04 -36.09 4.48 2 0 1000.00 -999 ? >LYS.B 118 -22.59 -38.60 7.61 -21.42 -34.58 10.03 -22.00 -36.59 8.82 2 0 1000.00 -999 ? >GLU~B 119 -26.30 -41.27 6.70 -28.34 -41.75 7.03 -27.32 -41.51 6.87 2 0 1000.00 -999 ? >PRO~B 120 -20.82 -40.92 2.65 -22.87 -40.07 2.31 -21.85 -40.49 2.48 3 0 1000.00 -999 ? >GLN~B 121 -22.28 -44.81 0.33 -21.48 -45.08 -1.64 -21.88 -44.94 -0.65 2 0 1000.00 -999 ? >LYS~B 122 -27.54 -42.09 0.65 -32.40 -41.07 2.59 -29.97 -41.58 1.62 2 0 1000.00 -999 ? >LEU~B 123 -25.40 -37.71 0.23 -25.58 -35.61 -0.58 -25.49 -36.66 -0.18 3 0 1000.00 -999 ? >MET~B 124 -25.22 -39.40 -3.75 -21.11 -40.22 -4.21 -23.17 -39.81 -3.98 2 0 1000.00 -999 ? >LYS~B 125 -28.08 -41.84 -4.41 -32.08 -45.47 -2.66 -30.08 -43.66 -3.54 2 0 1000.00 -999 ? >TRP~B 126 -33.24 -37.49 -2.35 -31.54 -33.97 -1.89 -32.39 -35.73 -2.12 3 0 1000.00 -999 ? >LEU~B 127 -27.73 -35.55 -4.73 -27.13 -33.52 -5.36 -27.43 -34.53 -5.05 3 0 1000.00 -999 ? >ALA~B 128 -27.84 -37.89 -8.43 -26.47 -37.30 -8.80 -27.15 -37.60 -8.61 2 0 1000.00 -999 ? >PRO.B 129 -31.23 -40.44 -9.23 -29.08 -40.75 -8.59 -30.16 -40.60 -8.91 3 0 1000.00 -999 ? >ARG.B 130 -25.50 -46.26 -8.99 -26.59 -49.11 -9.27 -26.04 -47.69 -9.13 2 0 1000.00 -999 ? >THR^B 131 -29.01 -43.56 -14.50 -28.85 -41.39 -14.63 -28.93 -42.48 -14.57 2 0 1000.00 -999 ? >LYS^B 132 -29.24 -45.27 -17.86 -26.61 -47.58 -21.95 -27.93 -46.42 -19.91 2 0 1000.00 -999 ? >ASP.B 133 -30.78 -43.56 -21.71 -29.61 -44.80 -22.88 -30.19 -44.18 -22.30 2 0 1000.00 -999 ? >GLY.B 134 -31.20 -40.30 -18.08 -31.32 -41.09 -17.97 -31.26 -40.69 -18.03 1 0 1000.00 -999 ? >VAL^B 135 -33.52 -42.81 -16.45 -34.99 -44.05 -17.48 -34.26 -43.43 -16.97 3 0 1000.00 -999 ? >PRO^B 136 -34.07 -41.44 -12.26 -33.05 -43.10 -13.38 -33.56 -42.27 -12.82 3 0 1000.00 -999 ? >ILE.B 137 -30.72 -47.76 -12.74 -29.51 -47.84 -13.43 -30.12 -47.80 -13.08 3 0 1000.00 -999 ? >GLU.B 138 -29.85 -45.48 -7.84 -27.96 -45.56 -6.87 -28.91 -45.52 -7.35 2 0 1000.00 -999 ?