REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-MAY-06 2H4O COMPND YONK PROTEIN; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; SOURCE 3 ORGANISM_TAXID: 1423; SOURCE 4 GENE: YONK; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: XL10; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PET 21 AUTHOR J.SEETHARAMAN,M.SUE,F.FOROUHAR,C.KEN,C.BONNIE,L.MA,R.XIAO,T.B.ACTON, AUTHOR 2 J.F.HUNT,L.TONG,NORTHEAST STRUCTURAL GENOMICS CONSORTIUM (NESG) HET MSE A 17 8 HET MSE A 20 8 HET MSE B 17 8 HET MSE B 20 8 HET MSE C 17 8 HET MSE C 20 8 HET MSE D 17 8 HET MSE D 20 8 >ALA.A 2 -13.94 -29.96 11.38 -13.38 -31.34 11.08 -13.66 -30.65 11.23 2 0 1000.00 -999 ? >SER.A 3 -16.65 -28.80 9.02 -18.34 -30.32 9.73 -17.50 -29.56 9.38 2 0 1000.00 -999 ? >LYS^A 4 -15.78 -25.44 7.51 -9.54 -26.25 6.91 -12.66 -25.84 7.21 2 0 1000.00 -999 ? >LYS^A 5 -16.08 -23.02 4.62 -19.85 -18.72 4.98 -17.97 -20.87 4.80 2 0 1000.00 -999 ? >VAL^A 6 -12.78 -22.22 2.93 -11.45 -23.61 1.97 -12.11 -22.91 2.45 3 0 1000.00 -999 ? >HIS^A 7 -12.73 -16.94 -0.14 -12.46 -15.54 -1.69 -12.59 -16.24 -0.92 3 0 1000.00 -999 ? >GLN^A 8 -6.68 -20.44 -1.24 -5.71 -22.27 -1.04 -6.19 -21.35 -1.14 2 0 1000.00 -999 ? >ILE^A 9 -7.07 -15.50 -3.72 -7.64 -15.22 -5.00 -7.36 -15.36 -4.36 3 0 1000.00 -999 ? >ASN^A 10 -3.87 -19.70 -6.24 -4.30 -21.25 -4.81 -4.08 -20.48 -5.52 2 0 1000.00 -999 ? >VAL.A 11 -1.87 -15.80 -7.68 -2.69 -13.79 -7.30 -2.28 -14.79 -7.49 3 0 1000.00 -999 ? >LYS.A 12 1.24 -16.65 -9.63 4.48 -21.83 -11.02 2.86 -19.24 -10.33 2 0 1000.00 -999 ? >GLY.A 13 3.30 -14.13 -11.59 3.61 -14.11 -10.85 3.45 -14.12 -11.22 1 0 1000.00 -999 ? >PHE^A 14 7.57 -9.84 -12.70 9.78 -8.20 -12.22 8.67 -9.02 -12.46 3 0 1000.00 -999 ? >PHE^A 15 4.91 -8.98 -6.05 3.84 -7.52 -3.91 4.38 -8.25 -4.98 3 0 1000.00 -999 ? >ASP^A 16 5.29 -4.73 -9.87 6.23 -2.84 -9.98 5.76 -3.79 -9.93 2 0 1000.00 -999 ? >MET?A 17 4.70 -4.02 -5.12 6.00 -4.22 -1.11 5.35 -4.12 -3.11 2 0 1000.00 -999 ? >ASP.A 18 6.21 0.04 -7.24 8.06 -0.98 -6.93 7.13 -0.47 -7.08 2 0 1000.00 -999 ? >VAL.A 19 1.99 -0.58 -8.41 2.07 -0.18 -10.52 2.03 -0.38 -9.46 3 0 1000.00 -999 ? >MET?A 20 0.87 -3.53 -6.29 0.82 -4.41 -2.87 0.85 -3.97 -4.58 2 0 1000.00 -999 ? >GLU^A 21 -0.71 -3.82 -10.41 -1.03 -2.87 -12.27 -0.87 -3.34 -11.34 2 0 1000.00 -999 ? >VAL^A 22 1.07 -9.48 -10.11 1.11 -11.11 -8.66 1.09 -10.29 -9.38 3 0 1000.00 -999 ? >THR^A 23 1.38 -10.43 -13.75 2.38 -9.09 -15.13 1.88 -9.76 -14.44 2 0 1000.00 -999 ? >GLU^A 24 -0.32 -15.33 -14.94 -1.16 -17.17 -14.22 -0.74 -16.25 -14.58 2 0 1000.00 -999 ? >GLN^A 25 4.94 -14.71 -20.51 4.12 -13.25 -21.84 4.53 -13.98 -21.18 2 0 1000.00 -999 ? >THR.A 26 0.89 -17.66 -20.03 -1.18 -18.33 -19.78 -0.15 -18.00 -19.91 2 0 1000.00 -999 ? >LYS.A 27 1.54 -19.57 -23.27 3.84 -23.22 -22.84 2.69 -21.39 -23.05 2 0 1000.00 -999 ? >GLU.A 28 -2.69 -18.75 -23.56 -4.72 -19.37 -23.35 -3.70 -19.06 -23.45 2 0 1000.00 -999 ? >ALA.A 29 -1.41 -13.88 -23.18 -2.83 -13.39 -22.92 -2.12 -13.63 -23.05 2 0 1000.00 -999 ? >GLU^A 30 2.07 -10.31 -19.74 2.95 -8.41 -20.02 2.51 -9.36 -19.88 2 0 1000.00 -999 ? >TYR^A 31 -3.90 -13.41 -18.15 -4.95 -14.94 -20.27 -4.42 -14.18 -19.21 3 0 1000.00 -999 ? >THR^A 32 -2.29 -8.68 -14.94 -1.28 -6.84 -15.25 -1.79 -7.76 -15.09 2 0 1000.00 -999 ? >TYR^A 33 -4.21 -11.51 -11.84 -4.45 -13.67 -13.59 -4.33 -12.59 -12.71 3 0 1000.00 -999 ? >ASP^A 34 -4.79 -4.86 -9.16 -6.79 -5.01 -8.63 -5.79 -4.93 -8.90 2 0 1000.00 -999 ? >PHE~A 35 -1.18 -8.74 -4.38 -0.65 -10.63 -2.42 -0.91 -9.69 -3.40 3 0 1000.00 -999 ? >LYS~A 36 -4.47 -4.61 -4.02 -5.29 0.61 -1.95 -4.88 -2.00 -2.98 2 0 1000.00 -999 ? >GLU~A 37 -10.01 -4.89 -6.47 -10.13 -3.01 -5.50 -10.07 -3.95 -5.99 2 0 1000.00 -999 ? >ILE~A 38 -6.33 -10.02 -4.96 -5.86 -11.09 -5.73 -6.09 -10.55 -5.35 3 0 1000.00 -999 ? >LEU~A 39 -4.58 -7.65 -0.74 -2.70 -8.55 -0.28 -3.64 -8.10 -0.51 3 0 1000.00 -999 ? >SER~A 40 -8.72 -6.20 0.09 -9.87 -5.36 -1.82 -9.29 -5.78 -0.86 2 0 1000.00 -999 ? >GLU~A 41 -12.51 -10.86 -1.57 -12.46 -12.01 -3.37 -12.49 -11.44 -2.47 2 0 1000.00 -999 ? >PHE.A 42 -8.61 -12.40 1.71 -8.99 -14.51 -0.08 -8.80 -13.46 0.82 3 0 1000.00 -999 ? >ASN.A 43 -8.99 -5.75 4.38 -8.53 -4.30 5.88 -8.76 -5.03 5.13 2 0 1000.00 -999 ? >GLY.A 44 -10.49 -7.68 8.35 -10.19 -8.33 8.03 -10.34 -8.00 8.19 1 0 1000.00 -999 ? >LYS.A 45 -10.25 -11.45 8.66 -14.82 -11.60 5.40 -12.53 -11.53 7.03 2 0 1000.00 -999 ? >ASN.A 46 -8.66 -15.33 10.99 -9.08 -14.61 12.95 -8.87 -14.97 11.97 2 0 1000.00 -999 ? >VAL.A 47 -6.17 -15.44 7.01 -5.84 -13.50 6.08 -6.00 -14.47 6.55 3 0 1000.00 -999 ? >SER.A 48 -3.24 -17.59 5.98 -4.15 -19.57 7.06 -3.70 -18.58 6.52 2 0 1000.00 -999 ? >ILE.A 49 -0.59 -14.47 3.66 -0.94 -13.07 3.15 -0.76 -13.77 3.41 3 0 1000.00 -999 ? >THR.A 50 1.85 -17.83 1.56 2.24 -19.97 1.32 2.04 -18.90 1.44 2 0 1000.00 -999 ? >VAL.A 51 4.40 -16.12 -0.67 4.44 -13.96 -0.70 4.42 -15.04 -0.69 3 0 1000.00 -999 ? >LYS.A 52 6.81 -18.41 -2.47 5.13 -23.42 -5.10 5.97 -20.91 -3.78 2 0 1000.00 -999 ? >GLU.A 53 11.36 -15.88 -5.51 12.91 -14.61 -4.79 12.14 -15.24 -5.15 2 0 1000.00 -999 ? >GLU.A 54 9.64 -21.63 -7.56 8.91 -23.58 -7.95 9.27 -22.61 -7.76 2 0 1000.00 -999 ? >ASN.A 55 15.68 -18.78 -8.17 14.74 -17.24 -7.05 15.21 -18.01 -7.61 2 0 1000.00 -999 ? >GLU.A 56 16.61 -21.77 -12.78 16.02 -23.73 -13.26 16.31 -22.75 -13.02 2 0 1000.00 -999 ? >LEU.A 57 20.48 -25.07 -8.39 20.03 -25.89 -6.48 20.25 -25.48 -7.43 3 0 1000.00 -999 ? >PRO.A 58 23.94 -21.80 -7.19 23.10 -22.21 -9.21 23.52 -22.00 -8.20 3 0 1000.00 -999 ? >VAL.A 59 25.51 -24.57 -11.74 24.55 -24.45 -13.66 25.03 -24.51 -12.70 3 0 1000.00 -999 ? >LYS.A 60 29.21 -25.20 -12.07 32.88 -28.13 -8.63 31.04 -26.67 -10.35 2 0 1000.00 -999 ? >GLY.A 61 29.12 -27.14 -15.34 28.37 -26.96 -15.19 28.74 -27.05 -15.26 1 0 1000.00 -999 ? >VAL.A 62 26.59 -26.72 -18.14 25.22 -25.04 -18.56 25.90 -25.88 -18.35 3 0 1000.00 -999 ? >GLU.A 63 29.27 -29.90 -20.14 30.40 -31.62 -19.79 29.83 -30.76 -19.97 2 0 1000.00 -999 ? >ALA.B 2 -4.77 -46.61 12.26 -3.40 -45.99 11.97 -4.09 -46.30 12.11 2 0 1000.00 -999 ? >SER.B 3 -5.74 -49.53 10.05 -4.24 -51.27 10.82 -4.99 -50.40 10.43 2 0 1000.00 -999 ? >LYS^B 4 -8.98 -48.83 8.24 -8.20 -42.65 7.12 -8.59 -45.74 7.68 2 0 1000.00 -999 ? >LYS^B 5 -11.15 -49.40 5.20 -15.41 -53.32 5.55 -13.28 -51.36 5.38 2 0 1000.00 -999 ? >VAL^B 6 -11.85 -46.28 3.16 -10.41 -45.01 2.19 -11.13 -45.65 2.67 3 0 1000.00 -999 ? >HIS^B 7 -16.88 -46.62 -0.29 -18.18 -46.51 -1.94 -17.53 -46.56 -1.12 3 0 1000.00 -999 ? >GLN^B 8 -13.44 -40.55 -1.50 -11.52 -39.61 -1.43 -12.48 -40.08 -1.47 2 0 1000.00 -999 ? >ILE^B 9 -18.14 -41.28 -4.41 -18.34 -41.98 -5.66 -18.24 -41.63 -5.04 3 0 1000.00 -999 ? >ASN^B 10 -13.74 -38.25 -6.96 -12.28 -38.57 -5.43 -13.01 -38.41 -6.20 2 0 1000.00 -999 ? >VAL^B 11 -17.60 -36.48 -8.80 -19.60 -37.32 -8.53 -18.60 -36.90 -8.66 3 0 1000.00 -999 ? >LYS^B 12 -16.64 -33.56 -10.98 -11.40 -30.42 -12.30 -14.02 -31.99 -11.64 2 0 1000.00 -999 ? >GLY^B 13 -18.98 -31.78 -13.40 -19.06 -31.39 -12.68 -19.02 -31.58 -13.04 1 0 1000.00 -999 ? >PHE^B 14 -23.22 -27.66 -15.18 -24.90 -25.42 -14.92 -24.06 -26.54 -15.05 3 0 1000.00 -999 ? >PHE^B 15 -24.57 -29.71 -8.40 -26.19 -30.60 -6.29 -25.38 -30.15 -7.35 3 0 1000.00 -999 ? >ASP^B 16 -28.49 -29.78 -12.52 -30.31 -28.84 -12.92 -29.40 -29.31 -12.72 2 0 1000.00 -999 ? >MET?B 17 -29.55 -29.96 -7.79 -29.79 -28.07 -3.95 -29.67 -29.01 -5.87 2 0 1000.00 -999 ? >ASP.B 18 -33.46 -28.70 -10.36 -32.50 -26.82 -10.20 -32.98 -27.76 -10.28 2 0 1000.00 -999 ? >VAL.B 19 -32.74 -32.98 -11.10 -33.02 -33.13 -13.24 -32.88 -33.06 -12.17 3 0 1000.00 -999 ? >MET?B 20 -29.95 -33.87 -8.66 -29.31 -33.67 -5.23 -29.63 -33.77 -6.94 2 0 1000.00 -999 ? >GLU^B 21 -29.35 -35.82 -12.57 -30.15 -36.34 -14.46 -29.75 -36.08 -13.51 2 0 1000.00 -999 ? >VAL^B 22 -23.76 -33.92 -12.02 -22.25 -33.72 -10.45 -23.01 -33.82 -11.23 3 0 1000.00 -999 ? >THR^B 23 -22.52 -33.93 -15.57 -23.75 -33.08 -17.13 -23.14 -33.50 -16.35 2 0 1000.00 -999 ? >GLU^B 24 -17.53 -35.68 -16.20 -15.71 -36.40 -15.30 -16.62 -36.04 -15.75 2 0 1000.00 -999 ? >GLN^B 25 -17.80 -30.95 -22.31 -19.15 -31.94 -23.63 -18.48 -31.44 -22.97 2 0 1000.00 -999 ? >THR.B 26 -14.80 -34.85 -21.23 -14.30 -36.94 -20.80 -14.55 -35.90 -21.01 2 0 1000.00 -999 ? >LYS.B 27 -12.75 -34.48 -24.42 -8.09 -36.46 -23.54 -10.42 -35.47 -23.98 2 0 1000.00 -999 ? >GLU.B 28 -13.51 -39.15 -23.95 -12.92 -41.14 -23.48 -13.22 -40.15 -23.72 2 0 1000.00 -999 ? >ALA.B 29 -17.92 -37.63 -24.30 -18.41 -39.06 -24.10 -18.17 -38.35 -24.20 2 0 1000.00 -999 ? >GLU^B 30 -21.75 -33.80 -21.51 -23.60 -32.95 -22.07 -22.67 -33.37 -21.79 2 0 1000.00 -999 ? >TYR^B 31 -18.80 -39.54 -19.00 -17.01 -40.75 -20.78 -17.90 -40.15 -19.89 3 0 1000.00 -999 ? >THR^B 32 -23.87 -37.68 -16.52 -25.69 -36.67 -17.08 -24.78 -37.17 -16.80 2 0 1000.00 -999 ? >TYR^B 33 -21.32 -39.25 -13.02 -18.96 -39.64 -14.49 -20.14 -39.44 -13.76 3 0 1000.00 -999 ? >ASP~B 34 -28.18 -39.56 -10.83 -28.05 -41.49 -10.11 -28.12 -40.52 -10.47 2 0 1000.00 -999 ? >PHE~B 35 -24.72 -35.44 -6.12 -23.00 -34.74 -4.07 -23.86 -35.09 -5.09 3 0 1000.00 -999 ? >LYS~B 36 -28.91 -38.72 -5.78 -34.14 -39.50 -4.10 -31.52 -39.11 -4.94 2 0 1000.00 -999 ? >GLU~B 37 -28.38 -44.52 -7.60 -30.39 -44.61 -6.85 -29.38 -44.56 -7.23 2 0 1000.00 -999 ? >ILE~B 38 -23.41 -40.69 -6.05 -22.25 -40.29 -6.76 -22.83 -40.49 -6.41 3 0 1000.00 -999 ? >LEU~B 39 -26.13 -38.53 -2.21 -25.30 -36.55 -1.96 -25.72 -37.54 -2.09 3 0 1000.00 -999 ? >SER~B 40 -27.69 -42.56 -1.12 -28.24 -43.95 -2.95 -27.97 -43.26 -2.04 2 0 1000.00 -999 ? >GLU~B 41 -22.95 -46.50 -2.01 -21.67 -46.58 -3.72 -22.31 -46.54 -2.86 2 0 1000.00 -999 ? >PHE.B 42 -21.66 -42.29 1.00 -19.37 -42.85 -0.55 -20.51 -42.57 0.23 3 0 1000.00 -999 ? >ASN.B 43 -28.49 -42.42 3.09 -30.04 -41.78 4.37 -29.27 -42.10 3.73 2 0 1000.00 -999 ? >GLY.B 44 -26.93 -43.43 7.35 -26.27 -43.16 7.05 -26.60 -43.29 7.20 1 0 1000.00 -999 ? >LYS.B 45 -23.22 -43.21 8.08 -22.94 -48.09 5.25 -23.08 -45.65 6.67 2 0 1000.00 -999 ? >ASN^B 46 -19.47 -41.20 10.41 -20.54 -41.60 12.21 -20.01 -41.40 11.31 2 0 1000.00 -999 ? >VAL^B 47 -18.82 -39.10 6.27 -20.77 -38.93 5.32 -19.80 -39.02 5.80 3 0 1000.00 -999 ? >SER^B 48 -16.60 -36.34 5.03 -14.58 -37.24 6.05 -15.59 -36.79 5.54 2 0 1000.00 -999 ? >ILE^B 49 -19.72 -33.99 2.22 -21.02 -34.16 1.94 -20.37 -34.07 2.08 3 0 1000.00 -999 ? >THR^B 50 -16.14 -31.82 0.29 -14.01 -31.35 0.15 -15.08 -31.58 0.22 2 0 1000.00 -999 ? >VAL^B 51 -17.71 -29.51 -2.30 -19.85 -29.37 -2.45 -18.78 -29.44 -2.37 3 0 1000.00 -999 ? >LYS^B 52 -15.16 -27.39 -4.19 -9.84 -29.13 -6.12 -12.50 -28.26 -5.15 2 0 1000.00 -999 ? >GLU^B 53 -17.41 -23.11 -7.86 -18.76 -21.53 -7.43 -18.08 -22.32 -7.64 2 0 1000.00 -999 ? >GLU^B 54 -11.53 -24.94 -9.21 -9.57 -25.67 -9.34 -10.55 -25.31 -9.27 2 0 1000.00 -999 ? >ASN^B 55 -14.25 -19.01 -10.54 -15.90 -19.89 -9.53 -15.08 -19.45 -10.03 2 0 1000.00 -999 ? >GLU.B 56 -10.86 -18.53 -15.02 -8.87 -19.18 -15.23 -9.87 -18.85 -15.12 2 0 1000.00 -999 ? >LEU.B 57 -7.96 -14.21 -10.71 -7.30 -14.51 -8.71 -7.63 -14.36 -9.71 3 0 1000.00 -999 ? >PRO.B 58 -11.21 -10.68 -10.15 -10.65 -11.71 -12.03 -10.93 -11.19 -11.09 3 0 1000.00 -999 ? >VAL.B 59 -8.09 -9.57 -14.60 -8.02 -10.74 -16.39 -8.06 -10.16 -15.49 3 0 1000.00 -999 ? >LYS.B 60 -7.41 -5.92 -15.18 -4.75 -2.00 -11.88 -6.08 -3.96 -13.53 2 0 1000.00 -999 ? >GLY.B 61 -4.90 -6.12 -17.99 -5.17 -6.91 -17.80 -5.04 -6.52 -17.89 1 0 1000.00 -999 ? >VAL.B 62 -4.39 -8.50 -20.86 -6.01 -9.88 -21.15 -5.20 -9.19 -21.01 3 0 1000.00 -999 ? >GLU.B 63 -0.72 -6.43 -22.17 -1.05 -4.64 -23.27 -0.88 -5.53 -22.72 2 0 1000.00 -999 ? >ALA.C 2 -2.95 -20.96 -12.83 -1.59 -21.50 -12.36 -2.27 -21.23 -12.59 2 0 1000.00 -999 ? >SER.C 3 -4.28 -18.06 -10.81 -2.69 -16.45 -11.48 -3.49 -17.25 -11.15 2 0 1000.00 -999 ? >LYS^C 4 -7.72 -18.79 -9.49 -6.93 -24.92 -8.35 -7.33 -21.85 -8.92 2 0 1000.00 -999 ? >LYS^C 5 -10.34 -18.22 -6.85 -14.52 -14.35 -7.87 -12.43 -16.28 -7.36 2 0 1000.00 -999 ? >VAL^C 6 -11.30 -21.33 -4.96 -9.99 -22.56 -3.76 -10.65 -21.94 -4.36 3 0 1000.00 -999 ? >HIS^C 7 -16.77 -21.08 -2.23 -18.27 -21.24 -0.76 -17.52 -21.16 -1.50 3 0 1000.00 -999 ? >GLN^C 8 -13.49 -27.02 -0.49 -11.62 -27.96 -0.38 -12.56 -27.49 -0.44 2 0 1000.00 -999 ? >ILE^C 9 -18.59 -26.32 1.70 -18.99 -25.59 2.88 -18.79 -25.96 2.29 3 0 1000.00 -999 ? >ASN^C 10 -14.60 -29.39 4.80 -12.91 -29.08 3.53 -13.76 -29.23 4.16 2 0 1000.00 -999 ? >VAL^C 11 -18.68 -31.14 6.12 -20.60 -30.36 5.54 -19.64 -30.75 5.83 3 0 1000.00 -999 ? >LYS^C 12 -18.04 -34.05 8.41 -13.00 -37.18 10.46 -15.52 -35.61 9.44 2 0 1000.00 -999 ? >GLY^C 13 -20.73 -35.83 10.41 -20.66 -36.25 9.71 -20.69 -36.04 10.06 1 0 1000.00 -999 ? >PHE^C 14 -25.06 -40.06 11.58 -26.67 -42.32 11.14 -25.87 -41.19 11.36 3 0 1000.00 -999 ? >PHE^C 15 -25.34 -38.04 4.64 -26.58 -37.11 2.28 -25.96 -37.58 3.46 3 0 1000.00 -999 ? >ASP^C 16 -29.91 -38.02 8.12 -31.84 -38.91 8.23 -30.87 -38.46 8.17 2 0 1000.00 -999 ? >MET?C 17 -30.23 -37.86 3.29 -29.74 -39.62 -0.59 -29.99 -38.74 1.35 2 0 1000.00 -999 ? >ASP.C 18 -34.47 -39.16 5.22 -33.41 -40.99 5.20 -33.94 -40.07 5.21 2 0 1000.00 -999 ? >VAL.C 19 -34.01 -34.85 6.05 -34.56 -34.70 8.14 -34.29 -34.77 7.09 3 0 1000.00 -999 ? >MET?C 20 -30.86 -33.94 4.07 -29.76 -34.28 0.78 -30.31 -34.11 2.42 2 0 1000.00 -999 ? >GLU^C 21 -30.84 -31.95 8.01 -31.89 -31.39 9.76 -31.37 -31.67 8.89 2 0 1000.00 -999 ? >VAL^C 22 -25.19 -33.78 8.30 -23.49 -33.96 6.97 -24.34 -33.87 7.63 3 0 1000.00 -999 ? >THR^C 23 -24.51 -33.76 12.03 -25.98 -34.65 13.41 -25.25 -34.20 12.72 2 0 1000.00 -999 ? >GLU^C 24 -19.69 -31.95 13.43 -17.75 -31.20 12.83 -18.72 -31.58 13.13 2 0 1000.00 -999 ? >GLN.C 25 -20.87 -36.70 19.42 -22.37 -35.68 20.54 -21.62 -36.19 19.98 2 0 1000.00 -999 ? >THR.C 26 -17.79 -32.76 18.71 -18.28 -30.69 18.16 -18.04 -31.73 18.44 2 0 1000.00 -999 ? >LYS.C 27 -16.08 -32.85 22.16 -11.43 -31.77 22.91 -13.76 -32.31 22.53 2 0 1000.00 -999 ? >GLU.C 28 -18.23 -28.07 21.70 -16.51 -28.01 20.43 -17.37 -28.04 21.06 2 0 1000.00 -999 ? >ALA.C 29 -21.56 -30.18 21.49 -22.05 -28.83 20.96 -21.81 -29.50 21.23 2 0 1000.00 -999 ? >GLU.C 30 -24.77 -33.86 18.03 -26.73 -34.64 18.30 -25.75 -34.25 18.17 2 0 1000.00 -999 ? >TYR^C 31 -21.57 -28.13 16.07 -20.14 -26.88 18.13 -20.85 -27.50 17.10 3 0 1000.00 -999 ? >THR^C 32 -26.07 -29.99 12.70 -27.92 -31.03 13.00 -26.99 -30.51 12.85 2 0 1000.00 -999 ? >TYR^C 33 -23.14 -28.39 9.64 -21.11 -27.99 11.53 -22.13 -28.19 10.59 3 0 1000.00 -999 ? >ASP~C 34 -29.58 -28.10 6.49 -29.33 -26.17 5.77 -29.45 -27.13 6.13 2 0 1000.00 -999 ? >PHE~C 35 -25.40 -32.19 2.28 -23.38 -32.94 0.56 -24.39 -32.57 1.42 3 0 1000.00 -999 ? >LYS~C 36 -29.50 -28.94 1.37 -34.39 -28.29 -1.04 -31.94 -28.61 0.16 2 0 1000.00 -999 ? >GLU~C 37 -29.32 -23.18 3.26 -31.20 -23.17 2.19 -30.26 -23.18 2.72 2 0 1000.00 -999 ? >ILE~C 38 -24.14 -27.00 2.42 -23.07 -27.40 3.27 -23.60 -27.20 2.85 3 0 1000.00 -999 ? >LEU~C 39 -26.25 -29.13 -1.75 -25.38 -31.10 -1.89 -25.81 -30.12 -1.82 3 0 1000.00 -999 ? >SER~C 40 -27.64 -25.12 -3.02 -28.56 -23.66 -1.30 -28.10 -24.39 -2.16 2 0 1000.00 -999 ? >GLU~C 41 -23.17 -21.08 -1.43 -22.08 -20.99 0.42 -22.62 -21.03 -0.51 2 0 1000.00 -999 ? >PHE.C 42 -21.36 -25.43 -4.22 -19.36 -24.79 -2.37 -20.36 -25.11 -3.30 3 0 1000.00 -999 ? >ASN.C 43 -27.81 -25.29 -7.33 -29.15 -25.90 -8.88 -28.48 -25.59 -8.10 2 0 1000.00 -999 ? >GLY.C 44 -25.60 -24.18 -11.27 -24.98 -24.45 -10.90 -25.29 -24.31 -11.08 1 0 1000.00 -999 ? >LYS.C 45 -21.84 -24.45 -11.54 -21.97 -19.58 -8.64 -21.90 -22.01 -10.09 2 0 1000.00 -999 ? >ASN^C 46 -17.85 -26.55 -13.33 -18.68 -26.02 -15.22 -18.27 -26.28 -14.28 2 0 1000.00 -999 ? >VAL^C 47 -17.79 -28.38 -8.98 -19.80 -28.42 -8.13 -18.79 -28.40 -8.56 3 0 1000.00 -999 ? >SER^C 48 -15.62 -31.16 -7.56 -13.51 -32.05 -8.36 -14.57 -31.60 -7.96 2 0 1000.00 -999 ? >ILE^C 49 -19.00 -33.47 -5.27 -20.39 -33.22 -5.06 -19.69 -33.35 -5.17 3 0 1000.00 -999 ? >THR^C 50 -16.02 -35.76 -2.70 -13.91 -35.92 -2.26 -14.97 -35.84 -2.48 2 0 1000.00 -999 ? >VAL^C 51 -17.82 -38.10 -0.36 -19.99 -38.21 -0.40 -18.90 -38.15 -0.38 3 0 1000.00 -999 ? >LYS^C 52 -15.61 -40.22 1.88 -10.80 -38.37 4.63 -13.21 -39.29 3.26 2 0 1000.00 -999 ? >GLU^C 53 -18.35 -44.48 5.17 -19.59 -46.06 4.53 -18.97 -45.27 4.85 2 0 1000.00 -999 ? >GLU^C 54 -12.77 -42.52 7.31 -10.79 -41.75 7.74 -11.78 -42.13 7.52 2 0 1000.00 -999 ? >ASN^C 55 -15.61 -48.57 8.33 -17.10 -47.71 7.10 -16.35 -48.14 7.71 2 0 1000.00 -999 ? >GLU^C 56 -12.93 -49.00 13.23 -10.99 -48.44 13.87 -11.96 -48.72 13.55 2 0 1000.00 -999 ? >LEU.C 57 -9.34 -53.31 9.43 -8.43 -53.02 7.51 -8.89 -53.17 8.47 3 0 1000.00 -999 ? >PRO.C 58 -12.44 -56.90 8.41 -12.25 -55.83 10.36 -12.34 -56.36 9.39 3 0 1000.00 -999 ? >VAL.C 59 -10.10 -57.98 13.24 -10.38 -56.79 15.00 -10.24 -57.39 14.12 3 0 1000.00 -999 ? >LYS.C 60 -9.53 -61.61 13.94 -6.38 -65.54 11.01 -7.96 -63.57 12.48 2 0 1000.00 -999 ? >GLY.C 61 -8.12 -61.30 17.45 -7.98 -60.62 17.16 -8.05 -60.96 17.30 1 0 1000.00 -999 ? >VAL.C 62 -7.39 -58.77 20.19 -8.64 -57.06 20.74 -8.01 -57.91 20.47 3 0 1000.00 -999 ? >GLU.C 63 -3.85 -61.53 21.27 -5.34 -62.97 21.84 -4.59 -62.25 21.56 2 0 1000.00 -999 ? >ALA.D 2 12.10 -37.73 13.49 11.54 -36.36 13.06 11.82 -37.04 13.27 2 0 1000.00 -999 ? >SER.D 3 15.09 -38.87 11.48 16.74 -37.35 12.31 15.91 -38.11 11.89 2 0 1000.00 -999 ? >LYS.D 4 14.47 -42.23 9.85 8.37 -41.41 8.52 11.42 -41.82 9.18 2 0 1000.00 -999 ? >LYS.D 5 15.17 -44.63 7.03 19.00 -48.88 7.90 17.09 -46.76 7.47 2 0 1000.00 -999 ? >VAL.D 6 12.19 -45.43 4.85 10.99 -44.03 3.72 11.59 -44.73 4.28 3 0 1000.00 -999 ? >HIS.D 7 12.61 -50.72 1.75 12.55 -52.13 0.19 12.58 -51.42 0.97 3 0 1000.00 -999 ? >GLN.D 8 6.67 -47.28 -0.03 5.78 -45.35 0.01 6.23 -46.31 -0.01 2 0 1000.00 -999 ? >ILE.D 9 7.58 -52.19 -2.56 8.35 -52.49 -3.73 7.96 -52.34 -3.14 3 0 1000.00 -999 ? >ASN.D 10 4.72 -47.96 -5.55 4.93 -46.39 -4.08 4.83 -47.17 -4.81 2 0 1000.00 -999 ? >VAL.D 11 3.03 -51.92 -7.26 3.80 -53.89 -6.77 3.41 -52.91 -7.02 3 0 1000.00 -999 ? >LYS.D 12 0.20 -51.09 -9.64 -2.79 -45.89 -11.48 -1.29 -48.49 -10.56 2 0 1000.00 -999 ? >GLY.D 13 -1.42 -53.65 -11.91 -1.88 -53.63 -11.24 -1.65 -53.64 -11.58 1 0 1000.00 -999 ? >PHE^D 14 -5.57 -57.85 -13.65 -7.83 -59.52 -13.40 -6.70 -58.69 -13.53 3 0 1000.00 -999 ? >PHE^D 15 -3.92 -58.75 -6.67 -3.18 -60.23 -4.43 -3.55 -59.49 -5.55 3 0 1000.00 -999 ? >ASP^D 16 -3.64 -62.98 -10.47 -4.56 -64.85 -10.76 -4.10 -63.92 -10.62 2 0 1000.00 -999 ? >MET?D 17 -3.77 -63.70 -5.70 -5.76 -63.56 -1.94 -4.77 -63.63 -3.82 2 0 1000.00 -999 ? >ASP.D 18 -4.95 -67.76 -8.06 -6.80 -66.75 -8.05 -5.88 -67.25 -8.06 2 0 1000.00 -999 ? >VAL.D 19 -0.62 -67.15 -8.61 -0.35 -67.57 -10.72 -0.49 -67.36 -9.66 3 0 1000.00 -999 ? >MET?D 20 0.15 -64.20 -6.30 -0.38 -63.25 -3.04 -0.11 -63.73 -4.67 2 0 1000.00 -999 ? >GLU^D 21 2.37 -63.87 -10.14 2.94 -64.80 -11.94 2.65 -64.34 -11.04 2 0 1000.00 -999 ? >VAL^D 22 0.51 -58.24 -10.06 0.26 -56.58 -8.62 0.38 -57.41 -9.34 3 0 1000.00 -999 ? >THR^D 23 0.77 -57.31 -13.74 0.00 -58.63 -15.26 0.38 -57.97 -14.50 2 0 1000.00 -999 ? >GLU^D 24 2.60 -52.38 -14.64 3.33 -50.49 -13.90 2.97 -51.44 -14.27 2 0 1000.00 -999 ? >GLN^D 25 -1.87 -53.03 -20.97 -0.82 -54.48 -22.19 -1.35 -53.76 -21.58 2 0 1000.00 -999 ? >THR.D 26 2.16 -50.38 -20.17 4.11 -49.85 -19.43 3.13 -50.11 -19.80 2 0 1000.00 -999 ? >LYS.D 27 1.74 -48.55 -23.52 -0.26 -44.55 -23.22 0.74 -46.55 -23.37 2 0 1000.00 -999 ? >GLU.D 28 6.48 -49.72 -22.49 7.90 -48.31 -21.79 7.19 -49.02 -22.14 2 0 1000.00 -999 ? >ALA.D 29 4.67 -53.75 -22.73 6.13 -54.15 -22.43 5.40 -53.95 -22.58 2 0 1000.00 -999 ? >GLU^D 30 0.99 -57.37 -19.71 0.25 -59.29 -20.10 0.62 -58.33 -19.90 2 0 1000.00 -999 ? >TYR^D 31 6.61 -54.31 -17.30 7.94 -52.74 -19.22 7.27 -53.52 -18.26 3 0 1000.00 -999 ? >THR^D 32 4.61 -59.03 -14.37 3.63 -60.88 -14.84 4.12 -59.96 -14.60 2 0 1000.00 -999 ? >TYR^D 33 6.03 -56.26 -11.04 6.55 -54.08 -12.71 6.29 -55.17 -11.88 3 0 1000.00 -999 ? >ASP^D 34 6.22 -62.85 -8.27 8.09 -62.62 -7.45 7.16 -62.74 -7.86 2 0 1000.00 -999 ? >PHE~D 35 1.87 -58.94 -4.08 1.04 -57.05 -2.22 1.46 -58.00 -3.15 3 0 1000.00 -999 ? >LYS~D 36 5.12 -63.09 -3.19 5.83 -68.20 -1.07 5.47 -65.65 -2.13 2 0 1000.00 -999 ? >GLU~D 37 10.98 -62.80 -4.77 10.98 -64.72 -3.78 10.98 -63.76 -4.28 2 0 1000.00 -999 ? >ILE~D 38 7.08 -57.68 -3.85 6.71 -56.61 -4.69 6.90 -57.14 -4.27 3 0 1000.00 -999 ? >LEU~D 39 4.72 -60.03 0.08 2.76 -59.16 0.17 3.74 -59.60 0.12 3 0 1000.00 -999 ? >SER~D 40 8.69 -61.53 1.48 10.22 -62.26 -0.22 9.45 -61.90 0.63 2 0 1000.00 -999 ? >GLU~D 41 12.69 -56.84 0.43 12.90 -55.70 -1.38 12.80 -56.27 -0.48 2 0 1000.00 -999 ? >PHE.D 42 8.29 -55.31 3.09 8.97 -53.19 1.39 8.63 -54.25 2.24 3 0 1000.00 -999 ? >ASN.D 43 8.36 -61.94 5.80 7.68 -63.38 7.23 8.02 -62.66 6.52 2 0 1000.00 -999 ? >GLY.D 44 9.24 -60.04 9.95 8.99 -59.39 9.58 9.12 -59.72 9.76 1 0 1000.00 -999 ? >LYS.D 45 8.94 -56.24 10.28 13.96 -56.17 7.66 11.45 -56.21 8.97 2 0 1000.00 -999 ? >ASN.D 46 6.81 -52.35 12.18 7.07 -53.25 14.09 6.94 -52.80 13.14 2 0 1000.00 -999 ? >VAL.D 47 4.94 -52.08 7.89 4.88 -54.06 7.00 4.91 -53.07 7.44 3 0 1000.00 -999 ? >SER.D 48 2.22 -49.83 6.53 2.05 -47.85 7.94 2.14 -48.84 7.24 2 0 1000.00 -999 ? >ILE.D 49 0.17 -53.13 3.85 0.42 -54.51 3.52 0.29 -53.82 3.68 3 0 1000.00 -999 ? >THR.D 50 -1.96 -49.95 1.35 -2.24 -47.81 0.99 -2.10 -48.88 1.17 2 0 1000.00 -999 ? >VAL.D 51 -4.22 -51.56 -1.17 -4.29 -53.76 -1.23 -4.26 -52.66 -1.20 3 0 1000.00 -999 ? >LYS.D 52 -6.24 -49.30 -3.39 -4.35 -44.26 -5.84 -5.30 -46.78 -4.61 2 0 1000.00 -999 ? >GLU.D 53 -10.29 -51.97 -7.06 -12.06 -53.09 -6.54 -11.17 -52.53 -6.80 2 0 1000.00 -999 ? >GLU.D 54 -8.32 -46.12 -8.78 -7.55 -44.16 -9.05 -7.93 -45.14 -8.92 2 0 1000.00 -999 ? >ASN.D 55 -14.22 -48.97 -10.25 -13.40 -50.53 -9.06 -13.81 -49.75 -9.65 2 0 1000.00 -999 ? >GLU.D 56 -14.47 -45.97 -14.98 -13.74 -44.05 -15.31 -14.11 -45.01 -15.14 2 0 1000.00 -999 ? >LEU.D 57 -18.98 -42.65 -11.23 -18.89 -41.86 -9.23 -18.94 -42.25 -10.23 3 0 1000.00 -999 ? >PRO.D 58 -22.59 -45.76 -10.56 -21.43 -45.48 -12.41 -22.01 -45.62 -11.48 3 0 1000.00 -999 ? >VAL.D 59 -23.45 -43.18 -15.30 -22.18 -43.22 -17.05 -22.81 -43.20 -16.18 3 0 1000.00 -999 ? >LYS.D 60 -27.04 -42.59 -16.14 -31.09 -39.58 -13.24 -29.06 -41.09 -14.69 2 0 1000.00 -999 ? >GLY.D 61 -26.22 -41.29 -19.60 -25.56 -41.28 -19.25 -25.89 -41.28 -19.42 1 0 1000.00 -999 ? >VAL.D 62 -23.17 -41.04 -21.90 -21.44 -42.34 -21.95 -22.31 -41.69 -21.92 3 0 1000.00 -999 ? >GLU.D 63 -25.63 -37.84 -24.85 -26.38 -37.33 -26.81 -26.00 -37.58 -25.83 2 0 1000.00 -999 ?