REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-JUN-06 2HJM COMPND HYPOTHETICAL PROTEIN PF1176; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; SOURCE 3 ORGANISM_TAXID: 2261; SOURCE 4 GENE: PF1176; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PF1176 AUTHOR L.Q.CHEN,Z.-J.LIU,J.P.ROSE,B.-C.WANG,SOUTHEAST COLLABORATORY FOR AUTHOR 2 STRUCTURAL GENOMICS (SECSG) HET MSE A 1 5 HET MSE A 59 8 HET MSE B 1 5 HET MSE B 59 8 HET MSE C 1 5 HET MSE C 59 8 HET MSE D 1 5 HET MSE D 59 8 >HIS.A -4 3.94 -9.07 -37.83 2.19 -10.18 -38.17 3.07 -9.63 -38.00 3 0 1000.00 -999 ? >HIS.A -3 9.03 -13.62 -36.46 8.06 -15.27 -37.30 8.55 -14.45 -36.88 3 0 1000.00 -999 ? >HIS.A -2 7.83 -9.18 -31.12 6.25 -7.83 -31.41 7.04 -8.51 -31.27 3 0 1000.00 -999 ? >HIS~A -1 13.94 -10.82 -33.29 13.20 -11.57 -35.10 13.57 -11.20 -34.20 3 0 1000.00 -999 ? >ASP~A 2 11.90 -6.69 -28.18 10.13 -5.90 -28.98 11.01 -6.30 -28.58 2 0 1000.00 -999 ? >LEU~A 3 10.78 -11.84 -28.20 9.62 -13.42 -29.12 10.20 -12.63 -28.66 3 0 1000.00 -999 ? >VAL~A 4 10.71 -11.50 -23.75 12.34 -11.80 -22.32 11.53 -11.65 -23.04 3 0 1000.00 -999 ? >GLU~A 5 9.05 -5.78 -22.44 9.62 -6.18 -20.42 9.34 -5.98 -21.43 2 0 1000.00 -999 ? >LYS~A 6 6.06 -9.17 -25.22 6.51 -5.47 -27.97 6.29 -7.32 -26.59 2 0 1000.00 -999 ? >VAL~A 7 5.57 -12.49 -23.45 6.51 -14.46 -23.62 6.04 -13.48 -23.54 3 0 1000.00 -999 ? >LYS~A 8 5.48 -10.82 -20.04 9.58 -7.66 -17.34 7.53 -9.24 -18.69 2 0 1000.00 -999 ? >GLU~A 9 1.76 -6.99 -23.15 1.93 -6.26 -25.13 1.85 -6.63 -24.14 2 0 1000.00 -999 ? >LEU~A 10 1.18 -12.20 -23.66 -0.16 -13.49 -24.75 0.51 -12.85 -24.21 3 0 1000.00 -999 ? >CYH~A 11 0.82 -12.71 -19.23 3.08 -14.43 -19.06 1.95 -13.57 -19.15 2 0 1000.00 -999 ? >LEU~A 12 0.09 -8.11 -17.97 1.75 -7.52 -16.73 0.92 -7.81 -17.35 3 0 1000.00 -999 ? >LEU.A 14 -3.44 -13.91 -19.57 -4.07 -15.22 -21.14 -3.75 -14.56 -20.35 3 0 1000.00 -999 ? >GLU~A 16 -0.80 -16.60 -15.45 -2.73 -17.43 -15.29 -1.76 -17.02 -15.37 2 0 1000.00 -999 ? >LEU~A 19 2.92 -16.20 -15.08 3.14 -18.03 -16.18 3.03 -17.12 -15.63 3 0 1000.00 -999 ? >ALA~A 20 5.07 -12.43 -15.59 4.16 -11.24 -15.83 4.61 -11.83 -15.71 2 0 1000.00 -999 ? >ALA~A 22 8.43 -15.33 -12.63 7.62 -16.59 -12.84 8.03 -15.96 -12.73 2 0 1000.00 -999 ? >ILE~A 23 9.21 -13.87 -17.23 8.79 -13.86 -18.63 9.00 -13.86 -17.93 3 0 1000.00 -999 ? >GLU~A 24 10.24 -9.47 -14.82 9.12 -8.02 -13.73 9.68 -8.75 -14.27 2 0 1000.00 -999 ? >PHE~A 26 14.06 -18.03 -16.19 15.58 -19.91 -17.60 14.82 -18.97 -16.90 3 0 1000.00 -999 ? >GLY~A 32 26.07 -14.25 -16.06 25.50 -14.59 -16.51 25.78 -14.42 -16.29 1 0 1000.00 -999 ? >GLU~A 34 25.27 -13.14 -22.90 23.73 -11.69 -23.08 24.50 -12.41 -22.99 2 0 1000.00 -999 ? >THR~A 36 30.53 -17.75 -19.42 30.05 -18.21 -17.41 30.29 -17.98 -18.41 2 0 1000.00 -999 ? >ARG~A 37 28.27 -22.74 -21.03 29.15 -25.39 -19.79 28.71 -24.07 -20.41 2 0 1000.00 -999 ? >GLY~A 38 27.88 -16.87 -24.60 27.31 -17.07 -24.07 27.60 -16.97 -24.34 1 0 1000.00 -999 ? >GLU~A 39 24.00 -13.30 -27.45 24.52 -11.88 -28.92 24.26 -12.59 -28.18 2 0 1000.00 -999 ? >ALA~A 40 23.31 -18.43 -28.06 24.03 -19.32 -29.03 23.67 -18.87 -28.54 2 0 1000.00 -999 ? >PHE~A 41 24.57 -21.77 -23.00 24.31 -23.67 -20.99 24.44 -22.72 -22.00 3 0 1000.00 -999 ? >ALA~A 42 21.88 -17.57 -22.89 22.48 -16.19 -22.75 22.18 -16.88 -22.82 2 0 1000.00 -999 ? >LYS~A 43 19.19 -17.12 -25.51 19.87 -12.99 -30.14 19.53 -15.06 -27.83 2 0 1000.00 -999 ? >ALA~A 44 18.53 -20.87 -25.77 19.57 -21.91 -26.14 19.05 -21.39 -25.95 2 0 1000.00 -999 ? >SER~A 45 17.77 -21.05 -22.07 20.00 -21.40 -21.21 18.89 -21.23 -21.64 2 0 1000.00 -999 ? >ILE~A 46 15.88 -16.55 -22.10 16.10 -15.21 -21.63 15.99 -15.88 -21.86 3 0 1000.00 -999 ? >TYR~A 47 14.74 -17.50 -27.12 15.50 -14.98 -28.08 15.12 -16.24 -27.60 3 0 1000.00 -999 ? >GLY~A 48 13.21 -22.47 -24.30 13.02 -21.75 -23.87 13.12 -22.11 -24.08 1 0 1000.00 -999 ? >PHE~A 49 11.94 -19.78 -18.91 10.57 -18.87 -16.65 11.25 -19.33 -17.78 3 0 1000.00 -999 ? >LEU~A 50 9.73 -17.74 -23.73 10.45 -15.80 -23.14 10.09 -16.77 -23.43 3 0 1000.00 -999 ? >GLU~A 51 9.24 -22.46 -27.30 9.43 -24.19 -28.54 9.33 -23.32 -27.92 2 0 1000.00 -999 ? >GLY~A 52 7.54 -23.83 -21.90 7.28 -23.06 -22.14 7.41 -23.44 -22.02 1 0 1000.00 -999 ? >ILE~A 53 5.97 -19.54 -20.19 6.12 -18.44 -19.30 6.05 -18.99 -19.75 3 0 1000.00 -999 ? >LEU~A 54 4.37 -19.68 -25.10 4.66 -17.58 -25.51 4.51 -18.63 -25.30 3 0 1000.00 -999 ? >THR~A 55 2.97 -23.91 -24.31 4.00 -25.61 -25.19 3.48 -24.76 -24.75 2 0 1000.00 -999 ? >THR~A 56 1.30 -24.67 -21.01 2.45 -24.38 -19.19 1.87 -24.53 -20.10 2 0 1000.00 -999 ? >LEU~A 57 -0.34 -20.06 -21.41 -0.10 -18.76 -19.71 -0.22 -19.41 -20.56 3 0 1000.00 -999 ? >MET?A 59 -3.52 -25.36 -22.92 -2.02 -27.78 -24.70 -2.77 -26.57 -23.81 2 0 1000.00 -999 ? >TYR.A 61 -5.70 -18.47 -21.01 -5.43 -18.04 -18.24 -5.57 -18.25 -19.62 3 0 1000.00 -999 ? >ASN~A 63 -5.46 -15.24 -26.07 -5.48 -13.17 -26.57 -5.47 -14.21 -26.32 2 0 1000.00 -999 ? >ILE~A 66 -1.27 -18.09 -26.72 -1.56 -18.73 -25.42 -1.41 -18.41 -26.07 3 0 1000.00 -999 ? >LEU~A 69 3.35 -14.93 -28.43 4.00 -12.96 -27.87 3.68 -13.94 -28.15 3 0 1000.00 -999 ? >LEU~A 70 3.71 -20.25 -29.17 4.47 -22.12 -28.40 4.09 -21.19 -28.78 3 0 1000.00 -999 ? >GLU~A 72 6.40 -14.48 -32.78 6.32 -12.38 -33.08 6.36 -13.43 -32.93 2 0 1000.00 -999 ? >VAL~A 73 9.91 -17.78 -29.61 9.59 -17.87 -27.47 9.75 -17.83 -28.54 3 0 1000.00 -999 ? >THR~A 75 11.41 -19.20 -34.55 10.39 -18.08 -36.07 10.90 -18.64 -35.31 2 0 1000.00 -999 ? >ALA~A 76 13.99 -17.35 -32.41 13.62 -16.41 -31.30 13.80 -16.88 -31.85 2 0 1000.00 -999 ? >ARG~A 77 13.40 -22.71 -28.13 13.15 -24.95 -30.22 13.27 -23.83 -29.18 2 0 1000.00 -999 ? >GLU~A 78 13.78 -23.52 -34.73 12.16 -23.78 -36.04 12.97 -23.65 -35.39 2 0 1000.00 -999 ? >GLU~A 79 18.47 -16.79 -36.02 19.60 -17.48 -37.66 19.04 -17.14 -36.84 2 0 1000.00 -999 ? >THR~A 80 19.78 -19.11 -32.24 19.41 -18.38 -30.24 19.60 -18.74 -31.24 2 0 1000.00 -999 ? >GLU~A 81 18.60 -24.20 -32.78 17.12 -25.26 -31.69 17.86 -24.73 -32.24 2 0 1000.00 -999 ? >ALA~A 82 21.59 -22.75 -36.14 20.77 -22.11 -37.24 21.18 -22.43 -36.69 2 0 1000.00 -999 ? >LEU.A 83 26.20 -23.71 -36.69 27.15 -24.15 -34.82 26.67 -23.93 -35.75 3 0 1000.00 -999 ? >LEU.A 84 27.68 -20.09 -40.33 26.50 -18.30 -40.41 27.09 -19.19 -40.37 3 0 1000.00 -999 ? >HIS.B -2 13.71 -37.56 -10.90 12.39 -38.70 -9.74 13.05 -38.13 -10.32 3 0 1000.00 -999 ? >HIS~B -1 20.27 -35.95 -12.39 20.70 -35.31 -10.44 20.48 -35.63 -11.41 3 0 1000.00 -999 ? >ASP~B 2 15.16 -39.94 -15.23 15.55 -42.00 -15.55 15.35 -40.97 -15.39 2 0 1000.00 -999 ? >LEU~B 3 14.79 -34.60 -15.32 14.73 -33.17 -13.70 14.76 -33.88 -14.51 3 0 1000.00 -999 ? >VAL~B 4 12.03 -35.28 -18.79 12.64 -35.01 -20.88 12.33 -35.15 -19.83 3 0 1000.00 -999 ? >GLU~B 5 9.85 -40.60 -19.00 10.45 -39.95 -20.93 10.15 -40.27 -19.97 2 0 1000.00 -999 ? >VAL~B 7 7.72 -34.13 -15.68 8.54 -32.12 -16.08 8.13 -33.12 -15.88 3 0 1000.00 -999 ? >LYS~B 8 6.01 -35.61 -18.70 8.38 -38.55 -23.25 7.20 -37.08 -20.98 2 0 1000.00 -999 ? >GLU~B 9 4.53 -39.81 -14.37 5.78 -41.03 -13.16 5.15 -40.42 -13.76 2 0 1000.00 -999 ? >LEU~B 10 4.17 -34.23 -13.19 3.49 -33.12 -11.47 3.83 -33.68 -12.33 3 0 1000.00 -999 ? >CYH~B 11 1.43 -33.71 -16.80 3.22 -32.05 -18.05 2.32 -32.88 -17.42 2 0 1000.00 -999 ? >LEU~B 12 0.16 -38.27 -17.75 0.74 -38.84 -19.74 0.45 -38.55 -18.74 3 0 1000.00 -999 ? >LEU.B 14 -1.89 -32.58 -14.16 -1.09 -31.48 -12.46 -1.49 -32.03 -13.31 3 0 1000.00 -999 ? >GLU~B 16 -3.01 -29.88 -19.28 -2.86 -28.36 -17.85 -2.93 -29.12 -18.57 2 0 1000.00 -999 ? >GLU~B 17 -3.74 -35.81 -23.05 -4.77 -37.52 -23.65 -4.26 -36.66 -23.35 2 0 1000.00 -999 ? >ASN~B 18 -2.37 -31.33 -25.09 -3.90 -31.93 -26.44 -3.13 -31.63 -25.76 2 0 1000.00 -999 ? >LEU~B 19 0.88 -30.27 -21.09 1.47 -28.32 -20.38 1.17 -29.29 -20.74 3 0 1000.00 -999 ? >ALA~B 20 2.83 -34.04 -22.29 2.20 -35.27 -21.67 2.51 -34.65 -21.98 2 0 1000.00 -999 ? >ALA~B 22 4.42 -31.20 -26.41 3.96 -29.93 -25.74 4.19 -30.57 -26.07 2 0 1000.00 -999 ? >ILE~B 23 7.32 -32.77 -22.83 7.66 -32.75 -21.41 7.49 -32.76 -22.12 3 0 1000.00 -999 ? >GLU~B 24 6.55 -37.58 -26.63 4.74 -38.66 -26.75 5.65 -38.12 -26.69 2 0 1000.00 -999 ? >ARG~B 25 6.84 -31.15 -32.33 5.47 -28.40 -32.19 6.15 -29.78 -32.26 2 0 1000.00 -999 ? >PHE~B 26 10.82 -28.73 -26.63 12.77 -26.74 -26.46 11.80 -27.73 -26.55 3 0 1000.00 -999 ? >ILE~B 27 12.27 -34.40 -26.35 13.24 -34.13 -25.26 12.76 -34.26 -25.81 3 0 1000.00 -999 ? >THR~B 28 12.24 -34.76 -30.80 10.79 -35.90 -31.95 11.51 -35.33 -31.37 2 0 1000.00 -999 ? >LEU~B 29 12.00 -30.24 -32.45 10.16 -30.00 -33.60 11.08 -30.12 -33.02 3 0 1000.00 -999 ? >GLY~B 32 21.01 -32.99 -33.37 20.71 -32.49 -32.82 20.86 -32.74 -33.09 1 0 1000.00 -999 ? >ILE~B 33 20.40 -29.00 -30.81 19.68 -28.75 -29.54 20.04 -28.87 -30.17 3 0 1000.00 -999 ? >GLU~B 34 23.18 -33.37 -27.10 21.88 -34.86 -26.34 22.53 -34.12 -26.72 2 0 1000.00 -999 ? >THR~B 36 26.27 -28.96 -33.01 24.48 -28.72 -34.17 25.37 -28.84 -33.59 2 0 1000.00 -999 ? >ARG~B 37 25.19 -23.93 -30.77 25.23 -21.37 -32.46 25.21 -22.65 -31.61 2 0 1000.00 -999 ? >GLY~B 38 27.34 -29.39 -27.32 26.53 -29.35 -27.49 26.94 -29.37 -27.40 1 0 1000.00 -999 ? >GLU~B 39 25.43 -33.25 -22.99 26.42 -34.99 -22.36 25.92 -34.12 -22.67 2 0 1000.00 -999 ? >ALA~B 40 25.46 -28.35 -22.06 26.60 -27.47 -21.63 26.03 -27.91 -21.84 2 0 1000.00 -999 ? >PHE~B 41 23.37 -25.03 -26.84 22.05 -22.98 -28.17 22.71 -24.01 -27.50 3 0 1000.00 -999 ? >ALA~B 42 21.00 -29.11 -25.48 21.33 -30.49 -25.97 21.16 -29.80 -25.72 2 0 1000.00 -999 ? >LYS~B 43 20.34 -29.63 -21.76 23.13 -34.05 -18.18 21.73 -31.84 -19.97 2 0 1000.00 -999 ? >ALA~B 44 19.92 -25.92 -21.02 20.99 -24.85 -21.23 20.46 -25.38 -21.13 2 0 1000.00 -999 ? >SER~B 45 17.21 -25.51 -23.68 18.53 -25.15 -25.68 17.87 -25.33 -24.68 2 0 1000.00 -999 ? >ILE~B 46 15.75 -30.04 -22.80 15.62 -31.37 -23.40 15.68 -30.71 -23.10 3 0 1000.00 -999 ? >TYR~B 47 17.51 -29.15 -17.95 18.77 -31.63 -17.62 18.14 -30.39 -17.78 3 0 1000.00 -999 ? >GLY~B 48 14.61 -24.19 -19.43 14.22 -24.94 -19.68 14.41 -24.56 -19.55 1 0 1000.00 -999 ? >PHE~B 49 10.46 -26.86 -23.18 7.95 -27.51 -24.24 9.21 -27.19 -23.71 3 0 1000.00 -999 ? >LEU~B 50 11.59 -29.02 -18.01 11.53 -31.01 -18.80 11.56 -30.02 -18.41 3 0 1000.00 -999 ? >GLU~B 51 11.98 -23.40 -14.40 13.66 -22.39 -13.58 12.82 -22.89 -13.99 2 0 1000.00 -999 ? >GLY~B 52 8.90 -22.86 -18.12 8.72 -23.63 -17.76 8.81 -23.25 -17.94 1 0 1000.00 -999 ? >ILE~B 53 6.28 -26.90 -18.50 5.93 -27.88 -19.49 6.11 -27.39 -18.99 3 0 1000.00 -999 ? >LEU~B 54 8.00 -26.96 -13.61 8.39 -29.08 -13.47 8.19 -28.02 -13.54 3 0 1000.00 -999 ? >THR~B 55 6.56 -22.68 -13.50 8.00 -21.11 -13.65 7.28 -21.90 -13.58 2 0 1000.00 -999 ? >THR~B 56 3.32 -21.81 -15.23 2.90 -22.02 -17.35 3.11 -21.91 -16.29 2 0 1000.00 -999 ? >LEU~B 57 2.59 -26.52 -14.11 1.66 -28.25 -14.96 2.12 -27.39 -14.54 3 0 1000.00 -999 ? >LYS~B 58 2.48 -24.16 -10.50 6.82 -21.29 -6.95 4.65 -22.72 -8.72 2 0 1000.00 -999 ? >MET?B 59 0.15 -21.23 -11.24 2.40 -18.59 -10.96 1.28 -19.91 -11.10 2 0 1000.00 -999 ? >TYR.B 61 -2.45 -27.95 -11.12 -3.68 -28.26 -13.61 -3.06 -28.10 -12.37 3 0 1000.00 -999 ? >ASN~B 63 0.71 -31.00 -7.53 -0.35 -32.83 -7.69 0.18 -31.91 -7.61 2 0 1000.00 -999 ? >ILE~B 66 4.31 -28.67 -9.22 3.42 -28.04 -10.18 3.86 -28.35 -9.70 3 0 1000.00 -999 ? >THR~B 68 9.97 -30.44 -5.93 9.53 -32.55 -5.53 9.75 -31.49 -5.73 2 0 1000.00 -999 ? >LEU~B 69 8.70 -31.76 -10.39 8.78 -33.67 -11.40 8.74 -32.72 -10.90 3 0 1000.00 -999 ? >LEU~B 70 9.80 -26.47 -9.77 9.68 -24.68 -11.00 9.74 -25.57 -10.38 3 0 1000.00 -999 ? >GLU~B 72 13.97 -32.51 -8.40 13.16 -34.38 -8.87 13.56 -33.45 -8.64 2 0 1000.00 -999 ? >VAL~B 73 14.97 -28.99 -12.93 13.64 -28.53 -14.59 14.30 -28.76 -13.76 3 0 1000.00 -999 ? >THR~B 75 19.35 -27.90 -9.93 19.49 -29.17 -8.20 19.42 -28.54 -9.07 2 0 1000.00 -999 ? >ALA~B 76 19.95 -29.69 -13.21 18.86 -30.38 -13.99 19.41 -30.03 -13.60 2 0 1000.00 -999 ? >ARG~B 77 17.04 -24.74 -16.06 17.75 -22.03 -14.80 17.40 -23.38 -15.43 2 0 1000.00 -999 ? >GLU~B 78 21.17 -23.74 -10.43 20.69 -23.82 -8.36 20.93 -23.78 -9.39 2 0 1000.00 -999 ? >GLU~B 79 25.67 -30.11 -12.81 27.47 -29.60 -11.86 26.57 -29.85 -12.33 2 0 1000.00 -999 ? >THR~B 80 24.64 -27.70 -16.56 23.22 -28.35 -18.05 23.93 -28.02 -17.31 2 0 1000.00 -999 ? >GLU~B 81 24.10 -22.41 -15.55 22.23 -21.32 -15.57 23.16 -21.86 -15.56 2 0 1000.00 -999 ? >ALA~B 82 28.45 -24.19 -14.57 28.43 -24.82 -13.21 28.44 -24.51 -13.89 2 0 1000.00 -999 ? >LEU.B 83 32.51 -23.18 -16.88 32.34 -22.82 -18.99 32.43 -23.00 -17.93 3 0 1000.00 -999 ? >LEU.B 84 35.42 -27.64 -15.55 35.16 -29.68 -14.96 35.29 -28.66 -15.25 3 0 1000.00 -999 ? >HIS.C -3 11.07 -18.45 -40.81 9.76 -16.83 -41.04 10.42 -17.64 -40.92 3 0 1000.00 -999 ? >HIS.C -2 15.01 -22.52 -44.79 13.71 -23.77 -45.85 14.36 -23.14 -45.32 3 0 1000.00 -999 ? >HIS~C -1 16.89 -20.65 -38.68 14.91 -20.19 -38.17 15.90 -20.42 -38.43 3 0 1000.00 -999 ? >ASP~C 2 19.87 -24.58 -43.23 18.50 -25.78 -44.26 19.19 -25.18 -43.74 2 0 1000.00 -999 ? >LEU~C 3 18.97 -19.47 -44.15 17.57 -17.87 -44.63 18.27 -18.67 -44.39 3 0 1000.00 -999 ? >VAL~C 4 22.59 -19.80 -46.81 24.58 -19.15 -46.14 23.59 -19.48 -46.48 3 0 1000.00 -999 ? >GLU~C 5 23.45 -25.24 -48.83 25.37 -24.32 -48.55 24.41 -24.78 -48.69 2 0 1000.00 -999 ? >VAL~C 7 19.78 -19.06 -51.12 19.91 -17.09 -50.12 19.85 -18.08 -50.62 3 0 1000.00 -999 ? >LYS~C 8 22.82 -20.21 -53.05 27.36 -22.54 -50.44 25.09 -21.38 -51.75 2 0 1000.00 -999 ? >LEU~C 10 17.04 -18.98 -54.79 15.53 -17.64 -55.55 16.29 -18.31 -55.17 3 0 1000.00 -999 ? >CYH~C 11 20.65 -18.53 -57.52 22.15 -16.89 -55.89 21.40 -17.71 -56.71 2 0 1000.00 -999 ? >LEU~C 12 21.61 -22.94 -59.20 23.70 -23.28 -58.74 22.65 -23.11 -58.97 3 0 1000.00 -999 ? >GLU~C 13 14.92 -21.99 -59.49 13.53 -22.63 -57.99 14.22 -22.31 -58.74 2 0 1000.00 -999 ? >LEU~C 14 17.81 -17.14 -60.53 16.12 -16.07 -59.71 16.97 -16.61 -60.12 3 0 1000.00 -999 ? >GLU.C 15 20.51 -19.32 -66.39 19.99 -21.27 -67.03 20.25 -20.30 -66.71 2 0 1000.00 -999 ? >GLU~C 16 21.41 -15.28 -61.52 22.30 -13.74 -62.67 21.85 -14.51 -62.10 2 0 1000.00 -999 ? >LEU~C 19 24.87 -15.22 -58.26 24.02 -13.46 -57.39 24.45 -14.34 -57.82 3 0 1000.00 -999 ? >ALA~C 20 26.23 -18.83 -56.20 25.72 -20.14 -56.75 25.97 -19.49 -56.48 2 0 1000.00 -999 ? >ALA~C 22 30.24 -15.57 -55.12 29.49 -14.31 -55.58 29.86 -14.94 -55.35 2 0 1000.00 -999 ? >ILE~C 23 26.89 -17.19 -51.92 25.51 -17.14 -51.49 26.20 -17.16 -51.71 3 0 1000.00 -999 ? >PHE~C 26 30.24 -12.99 -48.40 30.17 -10.89 -46.55 30.21 -11.94 -47.48 3 0 1000.00 -999 ? >GLY~C 32 37.62 -16.57 -39.04 36.99 -16.27 -39.33 37.30 -16.42 -39.19 1 0 1000.00 -999 ? >ILE~C 33 34.18 -13.13 -39.31 34.44 -11.73 -39.14 34.31 -12.43 -39.22 3 0 1000.00 -999 ? >THR~C 36 37.69 -13.25 -34.24 38.07 -12.83 -36.30 37.88 -13.04 -35.27 2 0 1000.00 -999 ? >ARG~C 37 34.91 -8.03 -34.88 36.18 -5.27 -34.84 35.54 -6.65 -34.86 2 0 1000.00 -999 ? >GLY~C 38 31.88 -13.56 -32.60 32.00 -13.55 -33.43 31.94 -13.55 -33.01 1 0 1000.00 -999 ? >GLU~C 39 27.30 -17.27 -34.21 26.44 -18.93 -33.27 26.87 -18.10 -33.74 2 0 1000.00 -999 ? >ALA~C 40 26.41 -12.49 -34.30 25.92 -11.61 -33.15 26.16 -12.05 -33.72 2 0 1000.00 -999 ? >PHE~C 41 31.09 -9.11 -36.48 32.39 -7.11 -37.90 31.74 -8.11 -37.19 3 0 1000.00 -999 ? >ALA~C 42 29.77 -13.34 -38.59 30.35 -14.68 -38.22 30.06 -14.01 -38.40 2 0 1000.00 -999 ? >LYS~C 43 26.02 -13.85 -38.94 22.74 -18.23 -35.82 24.38 -16.04 -37.38 2 0 1000.00 -999 ? >ALA~C 44 25.00 -10.22 -39.38 25.22 -9.12 -38.36 25.11 -9.67 -38.87 2 0 1000.00 -999 ? >SER~C 45 27.86 -9.97 -41.87 30.25 -9.70 -42.31 29.06 -9.83 -42.09 2 0 1000.00 -999 ? >ILE~C 46 27.11 -14.35 -43.73 27.78 -15.55 -43.87 27.45 -14.95 -43.80 3 0 1000.00 -999 ? >TYR~C 47 22.10 -13.67 -41.67 21.78 -16.11 -40.34 21.94 -14.89 -41.00 3 0 1000.00 -999 ? >GLY~C 48 23.41 -8.72 -44.68 23.65 -9.44 -45.10 23.53 -9.08 -44.89 1 0 1000.00 -999 ? >PHE~C 49 26.97 -11.13 -49.14 27.93 -11.90 -51.67 27.45 -11.52 -50.40 3 0 1000.00 -999 ? >LEU~C 50 22.17 -13.63 -47.77 23.08 -15.60 -47.79 22.63 -14.62 -47.78 3 0 1000.00 -999 ? >GLU~C 51 18.30 -8.26 -46.90 17.54 -7.73 -45.01 17.92 -7.99 -45.96 2 0 1000.00 -999 ? >GLY~C 52 21.72 -7.47 -50.43 21.49 -8.27 -50.61 21.60 -7.87 -50.52 1 0 1000.00 -999 ? >ILE~C 53 22.43 -11.49 -53.02 23.33 -12.52 -53.31 22.88 -12.01 -53.17 3 0 1000.00 -999 ? >LEU~C 54 17.68 -11.68 -51.40 17.50 -13.83 -51.34 17.59 -12.75 -51.37 3 0 1000.00 -999 ? >THR~C 55 17.00 -7.39 -52.48 16.93 -5.67 -51.12 16.97 -6.53 -51.80 2 0 1000.00 -999 ? >THR~C 56 18.54 -6.69 -55.90 20.65 -6.97 -55.81 19.60 -6.83 -55.85 2 0 1000.00 -999 ? >LEU~C 57 17.53 -11.32 -57.15 19.27 -12.46 -57.67 18.40 -11.89 -57.41 3 0 1000.00 -999 ? >LYS~C 58 13.84 -9.01 -56.40 10.24 -6.43 -51.91 12.04 -7.72 -54.16 2 0 1000.00 -999 ? >MET?C 59 14.32 -6.00 -58.67 13.70 -3.58 -56.36 14.01 -4.79 -57.51 2 0 1000.00 -999 ? >TYR.C 61 15.00 -13.23 -61.91 17.54 -13.22 -63.06 16.27 -13.22 -62.49 3 0 1000.00 -999 ? >ASN~C 63 10.86 -16.66 -58.00 11.73 -17.02 -59.90 11.30 -16.84 -58.95 2 0 1000.00 -999 ? >GLU~C 64 5.45 -16.71 -53.76 4.81 -14.71 -54.26 5.13 -15.71 -54.01 2 0 1000.00 -999 ? >ILE~C 66 13.02 -13.59 -54.78 13.93 -12.95 -55.75 13.47 -13.27 -55.26 3 0 1000.00 -999 ? >THR~C 68 10.27 -15.61 -49.22 9.20 -17.45 -49.44 9.73 -16.53 -49.33 2 0 1000.00 -999 ? >LEU~C 69 14.93 -16.52 -49.87 14.90 -18.69 -50.02 14.92 -17.60 -49.95 3 0 1000.00 -999 ? >LEU~C 70 13.57 -11.23 -49.07 14.72 -9.40 -49.20 14.15 -10.32 -49.13 3 0 1000.00 -999 ? >GLU~C 72 12.43 -17.26 -44.83 12.74 -19.22 -45.50 12.59 -18.24 -45.16 2 0 1000.00 -999 ? >VAL~C 73 16.95 -13.44 -44.18 18.53 -13.03 -45.64 17.74 -13.24 -44.91 3 0 1000.00 -999 ? >THR~C 75 14.14 -12.15 -39.75 12.23 -13.17 -39.64 13.19 -12.66 -39.69 2 0 1000.00 -999 ? >ALA~C 76 17.40 -14.02 -39.10 18.08 -15.00 -40.07 17.74 -14.51 -39.59 2 0 1000.00 -999 ? >ARG~C 77 20.98 -8.01 -41.15 18.52 -6.24 -40.85 19.75 -7.13 -41.00 2 0 1000.00 -999 ? >GLU~C 78 15.08 -7.82 -38.03 13.07 -7.79 -38.62 14.08 -7.81 -38.33 2 0 1000.00 -999 ? >GLU~C 79 17.14 -14.39 -33.44 16.49 -13.78 -31.52 16.82 -14.09 -32.48 2 0 1000.00 -999 ? >THR~C 80 20.83 -12.07 -34.60 22.27 -12.78 -36.07 21.55 -12.42 -35.33 2 0 1000.00 -999 ? >GLU~C 81 19.62 -7.04 -35.33 19.58 -5.88 -37.11 19.60 -6.46 -36.22 2 0 1000.00 -999 ? >ALA~C 82 18.74 -8.38 -30.87 17.41 -9.07 -30.84 18.07 -8.72 -30.86 2 0 1000.00 -999 ? >LEU.C 83 20.97 -7.10 -26.85 23.04 -6.52 -27.04 22.00 -6.81 -26.94 3 0 1000.00 -999 ? >LEU.C 84 19.60 -11.44 -23.77 18.91 -13.44 -24.20 19.26 -12.44 -23.98 3 0 1000.00 -999 ? >HIS.D -2 33.60 7.11 -52.56 33.51 8.36 -54.23 33.56 7.73 -53.40 3 0 1000.00 -999 ? >HIS~D -1 36.68 5.59 -46.53 38.53 4.97 -47.29 37.60 5.28 -46.91 3 0 1000.00 -999 ? >ASP~D 2 31.33 9.31 -48.06 31.64 10.82 -49.51 31.48 10.07 -48.79 2 0 1000.00 -999 ? >LEU~D 3 31.19 4.23 -49.00 32.00 2.54 -50.04 31.60 3.38 -49.52 3 0 1000.00 -999 ? >VAL~D 4 26.73 4.43 -48.97 25.66 3.77 -47.21 26.20 4.10 -48.09 3 0 1000.00 -999 ? >GLU~D 5 24.89 9.52 -50.22 23.75 8.30 -48.90 24.32 8.91 -49.56 2 0 1000.00 -999 ? >VAL~D 7 26.42 3.51 -54.21 26.80 1.57 -53.30 26.61 2.54 -53.76 3 0 1000.00 -999 ? >LYS~D 8 22.79 4.55 -53.81 20.45 7.42 -49.31 21.62 5.98 -51.56 2 0 1000.00 -999 ? >GLU~D 9 25.64 8.29 -57.81 27.31 9.58 -57.65 26.48 8.94 -57.72 2 0 1000.00 -999 ? >LEU~D 10 26.30 3.49 -58.82 27.31 2.28 -60.29 26.81 2.89 -59.56 3 0 1000.00 -999 ? >CYH~D 11 21.83 2.67 -58.47 21.76 0.91 -56.29 21.79 1.79 -57.38 2 0 1000.00 -999 ? >LEU~D 12 20.09 7.03 -59.56 19.03 7.49 -57.75 19.56 7.26 -58.65 3 0 1000.00 -999 ? >LEU~D 14 22.01 1.04 -62.61 23.93 0.09 -62.95 22.97 0.56 -62.78 3 0 1000.00 -999 ? >GLU~D 16 18.87 -0.71 -60.90 17.46 -2.23 -61.30 18.17 -1.47 -61.10 2 0 1000.00 -999 ? >ASN~D 18 12.63 -0.14 -56.03 10.80 0.65 -56.81 11.71 0.25 -56.42 2 0 1000.00 -999 ? >LEU~D 19 18.12 -0.87 -56.35 19.53 -2.52 -56.42 18.82 -1.70 -56.39 3 0 1000.00 -999 ? >ALA~D 20 18.28 2.70 -53.83 18.54 3.94 -54.66 18.41 3.32 -54.25 2 0 1000.00 -999 ? >ALA~D 22 15.82 -0.07 -50.24 16.01 -1.36 -51.01 15.91 -0.71 -50.62 2 0 1000.00 -999 ? >ILE~D 23 20.43 1.52 -50.32 21.77 1.48 -50.94 21.10 1.50 -50.63 3 0 1000.00 -999 ? >ARG~D 25 11.99 1.31 -47.93 9.49 1.68 -49.67 10.74 1.50 -48.80 2 0 1000.00 -999 ? >PHE~D 26 19.65 -2.54 -45.20 21.23 -4.41 -43.86 20.44 -3.47 -44.53 3 0 1000.00 -999 ? >GLY~D 32 19.96 1.00 -33.35 20.49 0.80 -33.95 20.22 0.90 -33.65 1 0 1000.00 -999 ? >GLU~D 34 25.69 3.49 -33.98 27.01 2.82 -35.46 26.35 3.16 -34.72 2 0 1000.00 -999 ? >THR~D 36 23.49 -1.83 -28.85 21.59 -2.16 -29.82 22.54 -1.99 -29.34 2 0 1000.00 -999 ? >ARG~D 37 25.21 -6.94 -31.33 23.99 -9.50 -30.11 24.60 -8.22 -30.72 2 0 1000.00 -999 ? >GLY~D 38 28.80 -1.16 -31.49 28.22 -1.28 -32.08 28.51 -1.22 -31.79 1 0 1000.00 -999 ? >GLU~D 39 31.23 2.48 -35.78 32.50 4.16 -35.54 31.86 3.32 -35.66 2 0 1000.00 -999 ? >ALA~D 40 31.99 -2.40 -36.32 33.12 -3.23 -35.75 32.56 -2.82 -36.04 2 0 1000.00 -999 ? >PHE~D 41 27.11 -5.95 -34.95 25.02 -7.79 -35.13 26.07 -6.87 -35.04 3 0 1000.00 -999 ? >ALA~D 42 26.87 -1.75 -37.55 26.67 -0.39 -36.89 26.77 -1.07 -37.22 2 0 1000.00 -999 ? >LYS~D 43 29.27 -1.26 -40.42 33.60 3.30 -40.69 31.44 1.02 -40.56 2 0 1000.00 -999 ? >ALA~D 44 29.71 -4.95 -41.15 30.15 -6.00 -40.15 29.93 -5.48 -40.65 2 0 1000.00 -999 ? >SER~D 45 25.94 -5.29 -41.68 24.74 -5.79 -39.63 25.34 -5.54 -40.65 2 0 1000.00 -999 ? >ILE~D 46 25.66 -0.91 -43.60 25.08 0.29 -43.26 25.37 -0.31 -43.43 3 0 1000.00 -999 ? >TYR~D 47 30.83 -1.39 -44.96 31.72 1.21 -44.46 31.28 -0.09 -44.71 3 0 1000.00 -999 ? >GLY~D 48 28.03 -6.50 -46.34 27.54 -5.82 -46.52 27.79 -6.16 -46.43 1 0 1000.00 -999 ? >PHE~D 49 22.40 -4.32 -47.42 20.12 -3.35 -48.71 21.26 -3.83 -48.07 3 0 1000.00 -999 ? >LEU~D 50 26.90 -1.91 -49.73 26.07 0.02 -49.24 26.48 -0.95 -49.49 3 0 1000.00 -999 ? >GLU~D 51 30.84 -6.67 -50.36 31.67 -8.51 -50.97 31.26 -7.59 -50.66 2 0 1000.00 -999 ? >GLY~D 52 25.51 -8.16 -51.78 25.75 -7.41 -52.10 25.63 -7.79 -51.94 1 0 1000.00 -999 ? >ILE~D 53 23.52 -4.18 -53.66 22.47 -3.18 -53.51 23.00 -3.68 -53.58 3 0 1000.00 -999 ? >LEU~D 54 28.32 -3.72 -55.42 28.45 -1.57 -55.32 28.38 -2.65 -55.37 3 0 1000.00 -999 ? >THR~D 55 27.73 -8.17 -56.40 28.47 -9.76 -55.11 28.10 -8.97 -55.76 2 0 1000.00 -999 ? >THR~D 56 24.58 -9.17 -58.25 22.87 -9.21 -56.98 23.72 -9.19 -57.61 2 0 1000.00 -999 ? >LEU~D 57 24.55 -4.46 -59.57 23.00 -2.98 -59.50 23.78 -3.72 -59.53 3 0 1000.00 -999 ? >LYS~D 58 27.80 -6.72 -61.51 33.70 -8.59 -60.25 30.75 -7.66 -60.88 2 0 1000.00 -999 ? >MET?D 59 25.93 -9.43 -63.41 27.69 -12.07 -61.77 26.81 -10.75 -62.59 2 0 1000.00 -999 ? >TYR~D 61 23.53 -3.23 -65.04 20.75 -3.00 -64.72 22.14 -3.12 -64.88 3 0 1000.00 -999 ? >ASN~D 63 29.32 0.50 -65.14 27.42 0.51 -66.08 28.37 0.50 -65.61 2 0 1000.00 -999 ? >ILE~D 66 29.59 -2.18 -60.86 28.37 -2.98 -61.07 28.98 -2.58 -60.96 3 0 1000.00 -999 ? >GLU~D 67 35.89 -3.96 -60.70 35.62 -5.87 -59.81 35.76 -4.92 -60.26 2 0 1000.00 -999 ? >LEU~D 69 31.39 1.03 -56.10 30.91 3.14 -56.19 31.15 2.08 -56.15 3 0 1000.00 -999 ? >LEU~D 70 32.26 -4.16 -56.14 31.57 -6.15 -55.62 31.92 -5.16 -55.88 3 0 1000.00 -999 ? >GLU~D 72 36.11 2.52 -52.61 35.89 4.06 -54.04 36.00 3.29 -53.32 2 0 1000.00 -999 ? >VAL~D 73 33.18 -1.34 -50.24 31.02 -1.71 -50.28 32.10 -1.52 -50.26 3 0 1000.00 -999 ? >THR~D 75 37.99 -2.75 -48.51 39.68 -1.75 -49.40 38.84 -2.25 -48.96 2 0 1000.00 -999 ? >ALA~D 76 35.71 -0.95 -46.05 34.47 -0.17 -46.44 35.09 -0.56 -46.25 2 0 1000.00 -999 ? >ARG~D 77 31.91 -6.66 -46.40 34.17 -8.71 -46.02 33.04 -7.69 -46.21 2 0 1000.00 -999 ? >GLU~D 78 38.55 -7.17 -46.44 39.62 -7.36 -48.24 39.08 -7.27 -47.34 2 0 1000.00 -999 ? >GLU~D 79 39.51 -0.35 -41.64 41.35 -0.96 -40.76 40.43 -0.66 -41.20 2 0 1000.00 -999 ? >THR~D 80 35.88 -2.91 -40.24 33.84 -2.29 -40.53 34.86 -2.60 -40.38 2 0 1000.00 -999 ? >GLU~D 81 36.40 -7.96 -41.23 35.35 -9.37 -42.43 35.87 -8.66 -41.83 2 0 1000.00 -999 ? >ALA~D 82 39.96 -6.49 -38.55 40.99 -5.82 -39.46 40.47 -6.16 -39.00 2 0 1000.00 -999 ? >LEU.D 83 40.75 -7.42 -33.93 38.93 -8.00 -32.96 39.84 -7.71 -33.45 3 0 1000.00 -999 ? >LEU.D 84 43.72 -3.02 -32.56 43.77 -1.03 -33.31 43.74 -2.02 -32.94 3 0 1000.00 -999 ?