REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-OCT-09 3KAV COMPND UNCHARACTERIZED PROTEIN PA2107; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; SOURCE 3 ORGANISM_TAXID: 287; SOURCE 4 STRAIN: PAO1; SOURCE 5 GENE: PA2107; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3)+ MAGIC; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PET21 AUTHOR F.FOROUHAR,H.NEELY,J.SEETHARAMAN,S.SAHDEV,R.XIAO, AUTHOR 2 C.CICCOSANTI,E.L.FOOTE,L.ZHAO,J.K.EVERETT,R.NAIR,T.B.ACTON, AUTHOR 3 B.ROST,G.T.MONTELIONE,L.TONG,J.F.HUNT,NORTHEAST STRUCTURAL AUTHOR 4 GENOMICS CONSORTIUM (NESG) HET MSE A 80 8 HET MSE B 80 8 HET MSE C 80 8 HET MSE D 80 8 >ALA.A 29 -8.71 -24.86 -1.68 -7.99 -24.96 -3.04 -8.35 -24.91 -2.36 2 0 1000.00 -999 ? >ALA~A 30 -11.88 -26.79 -0.79 -11.95 -27.90 0.25 -11.91 -27.35 -0.27 2 0 1000.00 -999 ? >GLN~A 31 -11.24 -22.07 -0.63 -9.91 -20.99 0.65 -10.57 -21.53 0.01 2 0 1000.00 -999 ? >ALA~A 32 -14.76 -23.52 -4.10 -14.06 -24.19 -5.28 -14.41 -23.85 -4.69 2 0 1000.00 -999 ? >PRO~A 33 -15.96 -27.36 -2.45 -16.97 -25.65 -3.46 -16.47 -26.51 -2.96 3 0 1000.00 -999 ? >GLU~A 34 -17.83 -23.06 2.16 -16.50 -22.88 3.78 -17.16 -22.97 2.97 2 0 1000.00 -999 ? >GLU~A 35 -17.80 -18.88 -3.55 -18.91 -17.31 -2.60 -18.35 -18.09 -3.08 2 0 1000.00 -999 ? >ARG~A 36 -19.79 -25.59 -5.99 -17.08 -26.30 -7.22 -18.44 -25.94 -6.60 2 0 1000.00 -999 ? >CYH~A 37 -22.93 -23.69 -1.61 -23.60 -25.43 0.54 -23.27 -24.56 -0.53 2 0 1000.00 -999 ? >ARG~A 38 -22.27 -17.07 1.08 -20.74 -14.69 -0.14 -21.50 -15.88 0.47 2 0 1000.00 -999 ? >LEU~A 39 -23.61 -18.56 -4.32 -22.12 -16.97 -4.31 -22.86 -17.76 -4.31 3 0 1000.00 -999 ? >ALA~A 40 -26.94 -21.50 -3.43 -26.67 -23.00 -3.54 -26.80 -22.25 -3.48 2 0 1000.00 -999 ? >ALA~A 41 -28.05 -20.96 0.17 -27.15 -20.98 1.41 -27.60 -20.97 0.79 2 0 1000.00 -999 ? >GLN~A 42 -26.27 -16.10 0.18 -24.79 -14.68 -0.43 -25.53 -15.39 -0.13 2 0 1000.00 -999 ? >ALA~A 43 -30.56 -17.83 -3.59 -30.08 -18.55 -4.85 -30.32 -18.19 -4.22 2 0 1000.00 -999 ? >CYH~A 44 -32.66 -20.31 -1.65 -33.44 -22.55 -0.14 -33.05 -21.43 -0.89 2 0 1000.00 -999 ? >ILE~A 45 -32.75 -17.02 2.07 -31.55 -16.40 2.53 -32.15 -16.71 2.30 3 0 1000.00 -999 ? >ARG~A 46 -31.79 -13.01 -3.46 -29.03 -14.30 -3.87 -30.41 -13.66 -3.66 2 0 1000.00 -999 ? >ALA~A 47 -36.88 -17.66 -3.31 -36.44 -18.94 -4.00 -36.66 -18.30 -3.65 2 0 1000.00 -999 ? >CYH~A 48 -38.33 -18.68 0.05 -37.10 -21.07 0.90 -37.71 -19.88 0.48 2 0 1000.00 -999 ? >GLU~A 49 -36.93 -14.32 2.49 -35.68 -12.66 3.02 -36.30 -13.49 2.75 2 0 1000.00 -999 ? >ARG~A 50 -38.58 -13.52 -5.39 -35.92 -14.93 -5.98 -37.25 -14.23 -5.68 2 0 1000.00 -999 ? >TYR~A 51 -43.14 -19.85 -1.24 -45.12 -21.69 -0.55 -44.13 -20.77 -0.90 3 0 1000.00 -999 ? >LEU~A 52 -42.65 -16.20 2.85 -42.31 -17.44 4.57 -42.48 -16.82 3.71 3 0 1000.00 -999 ? >ALA~A 53 -44.46 -12.86 0.53 -43.40 -11.78 0.50 -43.93 -12.32 0.52 2 0 1000.00 -999 ? >LEU~A 54 -44.89 -13.22 -4.17 -43.93 -11.33 -3.71 -44.41 -12.28 -3.94 3 0 1000.00 -999 ? >CYH~A 55 -47.40 -16.83 -3.38 -47.74 -19.58 -3.68 -47.57 -18.21 -3.53 2 0 1000.00 -999 ? >THR.A 56 -50.99 -16.04 -2.43 -52.67 -15.61 -3.72 -51.83 -15.82 -3.07 2 0 1000.00 -999 ? >GLU.A 57 -51.56 -20.35 -4.91 -51.37 -22.20 -5.92 -51.47 -21.27 -5.41 2 0 1000.00 -999 ? >SER.A 58 -49.98 -20.80 0.39 -48.06 -20.22 1.79 -49.02 -20.51 1.09 2 0 1000.00 -999 ? >SER~A 59 -51.03 -22.88 3.42 -49.78 -24.97 3.63 -50.41 -23.93 3.52 2 0 1000.00 -999 ? >ARG~A 60 -52.57 -20.66 9.22 -55.23 -22.08 8.55 -53.90 -21.37 8.88 2 0 1000.00 -999 ? >GLU~A 61 -47.70 -27.78 7.09 -47.10 -29.07 5.51 -47.40 -28.43 6.30 2 0 1000.00 -999 ? >GLN~A 62 -47.18 -25.51 1.74 -48.37 -25.15 0.01 -47.77 -25.33 0.88 2 0 1000.00 -999 ? >ARG~A 63 -47.86 -18.13 4.85 -50.78 -18.41 5.78 -49.32 -18.27 5.31 2 0 1000.00 -999 ? >GLN~A 64 -43.60 -23.84 10.29 -43.17 -22.34 11.74 -43.39 -23.09 11.02 2 0 1000.00 -999 ? >HIS~A 65 -42.44 -27.05 5.63 -43.27 -28.72 6.61 -42.86 -27.88 6.12 3 0 1000.00 -999 ? >ALA~A 66 -40.13 -22.06 3.66 -41.00 -21.25 2.69 -40.56 -21.65 3.17 2 0 1000.00 -999 ? >GLY~A 67 -39.57 -19.93 6.74 -39.29 -20.71 6.61 -39.43 -20.32 6.68 1 0 1000.00 -999 ? >ASP~A 68 -37.99 -23.91 9.17 -39.68 -23.85 10.41 -38.83 -23.88 9.79 2 0 1000.00 -999 ? >CYH~A 69 -35.70 -23.23 5.42 -35.04 -23.78 2.75 -35.37 -23.51 4.08 2 0 1000.00 -999 ? >ALA~A 70 -34.84 -19.57 5.02 -35.81 -18.43 4.76 -35.32 -19.00 4.89 2 0 1000.00 -999 ? >ASP~A 71 -34.38 -19.24 9.93 -36.09 -18.04 10.01 -35.23 -18.64 9.97 2 0 1000.00 -999 ? >LEU~A 72 -31.85 -23.58 8.53 -32.17 -24.91 10.20 -32.01 -24.25 9.36 3 0 1000.00 -999 ? >CYH~A 73 -30.05 -21.16 5.21 -31.11 -22.43 2.90 -30.58 -21.79 4.06 2 0 1000.00 -999 ? >ARG~A 74 -31.80 -15.01 7.43 -31.64 -12.71 5.38 -31.72 -13.86 6.41 2 0 1000.00 -999 ? >LEU~A 75 -27.68 -20.26 10.70 -26.71 -20.47 12.63 -27.20 -20.37 11.66 3 0 1000.00 -999 ? >ALA~A 76 -25.56 -21.79 7.17 -26.33 -22.76 6.29 -25.94 -22.28 6.73 2 0 1000.00 -999 ? >ALA~A 77 -24.59 -18.86 4.90 -25.57 -17.84 4.28 -25.08 -18.35 4.59 2 0 1000.00 -999 ? >LEU~A 78 -23.90 -16.45 9.03 -23.33 -15.02 10.54 -23.61 -15.73 9.78 3 0 1000.00 -999 ? >LEU~A 79 -21.69 -21.26 9.55 -22.23 -21.48 11.63 -21.96 -21.37 10.59 3 0 1000.00 -999 ? >MET?A 80 -19.67 -20.50 5.58 -22.01 -22.80 2.87 -20.84 -21.65 4.23 2 0 1000.00 -999 ? >GLU~A 81 -20.65 -15.22 4.25 -22.63 -14.55 4.59 -21.64 -14.88 4.42 2 0 1000.00 -999 ? >ARG~A 82 -19.05 -16.47 11.59 -20.10 -13.87 12.85 -19.58 -15.17 12.22 2 0 1000.00 -999 ? >ARG.A 83 -14.15 -20.25 4.51 -11.56 -21.90 4.49 -12.86 -21.07 4.50 2 0 1000.00 -999 ? >SER.A 84 -16.51 -21.77 10.57 -18.08 -22.39 12.30 -17.29 -22.08 11.44 2 0 1000.00 -999 ? >PRO.A 85 -14.70 -24.82 13.11 -15.67 -24.71 11.09 -15.18 -24.77 12.10 3 0 1000.00 -999 ? >TRP~A 86 -18.14 -25.38 15.30 -18.32 -29.27 15.87 -18.23 -27.32 15.59 3 0 1000.00 -999 ? >ALA~A 87 -20.52 -24.80 8.67 -19.67 -24.11 7.61 -20.10 -24.46 8.14 2 0 1000.00 -999 ? >PRO~A 88 -19.05 -28.93 8.32 -20.80 -27.74 7.63 -19.93 -28.33 7.98 3 0 1000.00 -999 ? >ALA~A 89 -23.24 -29.13 10.40 -22.78 -28.96 11.85 -23.01 -29.05 11.13 2 0 1000.00 -999 ? >ALA~A 90 -25.42 -26.14 9.65 -24.95 -24.68 9.69 -25.19 -25.41 9.67 2 0 1000.00 -999 ? >CYH~A 91 -25.65 -27.15 5.97 -23.51 -25.77 4.74 -24.58 -26.46 5.36 2 0 1000.00 -999 ? >GLU~A 92 -26.76 -32.71 8.58 -26.88 -34.17 7.05 -26.82 -33.44 7.82 2 0 1000.00 -999 ? >LEU~A 93 -29.71 -28.49 10.35 -29.67 -29.48 12.27 -29.69 -28.99 11.31 3 0 1000.00 -999 ? >ALA~A 94 -30.47 -26.59 6.36 -29.49 -25.51 5.89 -29.98 -26.05 6.12 2 0 1000.00 -999 ? >ALA~A 95 -30.46 -29.19 3.61 -29.34 -30.17 3.29 -29.90 -29.68 3.45 2 0 1000.00 -999 ? >ARG~A 96 -32.24 -33.25 8.85 -31.11 -36.12 8.58 -31.68 -34.68 8.72 2 0 1000.00 -999 ? >TYR~A 97 -35.53 -27.30 8.31 -36.19 -28.15 10.90 -35.86 -27.72 9.61 3 0 1000.00 -999 ? >ALA~A 98 -34.72 -27.20 2.32 -33.35 -26.93 1.72 -34.04 -27.06 2.02 2 0 1000.00 -999 ? >LEU~A 99 -34.74 -31.98 1.52 -35.23 -33.33 -0.12 -34.98 -32.65 0.70 3 0 1000.00 -999 ? >ALA~A 100 -38.73 -30.70 3.28 -38.76 -30.58 4.81 -38.75 -30.64 4.05 2 0 1000.00 -999 ? >CYH~A 101 -39.69 -27.28 1.96 -39.48 -24.54 1.29 -39.59 -25.91 1.63 2 0 1000.00 -999 ? >ALA~A 102 -39.25 -28.51 -1.62 -37.96 -29.06 -2.25 -38.60 -28.79 -1.94 2 0 1000.00 -999 ? >GLU~A 103 -39.70 -33.51 -0.40 -38.98 -34.64 1.23 -39.34 -34.07 0.41 2 0 1000.00 -999 ? >ARG~A 104 -44.64 -31.06 3.30 -42.64 -32.94 4.69 -43.64 -32.00 4.00 2 0 1000.00 -999 ? >CYH~A 105 -44.05 -26.21 -1.48 -43.51 -24.67 0.80 -43.78 -25.44 -0.34 2 0 1000.00 -999 ? >ASP~A 106 -42.88 -28.57 -5.61 -42.03 -28.34 -7.55 -42.46 -28.46 -6.58 2 0 1000.00 -999 ? >GLY.A 107 -46.54 -26.55 -7.34 -45.87 -26.39 -7.79 -46.20 -26.47 -7.57 1 0 1000.00 -999 ? >ASP.A 108 -49.29 -25.64 -11.18 -49.89 -27.65 -10.91 -49.59 -26.65 -11.05 2 0 1000.00 -999 ? >GLU~A 109 -47.24 -20.11 -7.90 -47.50 -18.00 -8.12 -47.37 -19.05 -8.01 2 0 1000.00 -999 ? >PRO~A 110 -45.30 -18.48 -11.79 -44.75 -20.42 -10.85 -45.03 -19.45 -11.32 3 0 1000.00 -999 ? >LEU~A 111 -44.36 -18.03 -6.54 -44.27 -15.88 -6.28 -44.31 -16.96 -6.41 3 0 1000.00 -999 ? >GLU~A 112 -46.31 -22.68 -5.28 -48.25 -23.49 -5.69 -47.28 -23.08 -5.49 2 0 1000.00 -999 ? >ARG~A 113 -43.42 -24.61 -12.10 -44.18 -22.57 -14.26 -43.80 -23.59 -13.18 2 0 1000.00 -999 ? >GLU~A 114 -39.44 -19.91 -9.91 -40.31 -17.99 -10.16 -39.88 -18.95 -10.04 2 0 1000.00 -999 ? >CYH~A 115 -38.82 -22.14 -4.41 -39.74 -22.23 -1.71 -39.28 -22.18 -3.06 2 0 1000.00 -999 ? >ALA~A 116 -38.65 -25.95 -4.68 -39.68 -26.83 -5.37 -39.16 -26.39 -5.02 2 0 1000.00 -999 ? >GLY~A 117 -35.94 -25.62 -7.32 -35.96 -25.31 -6.57 -35.95 -25.47 -6.95 1 0 1000.00 -999 ? >ALA~A 118 -33.82 -23.26 -5.28 -34.26 -21.90 -4.78 -34.04 -22.58 -5.03 2 0 1000.00 -999 ? >CYH~A 119 -34.11 -25.54 -2.23 -36.32 -24.65 -0.73 -35.21 -25.09 -1.48 2 0 1000.00 -999 ? >ARG~A 120 -36.21 -30.55 -5.91 -37.71 -32.37 -3.93 -36.96 -31.46 -4.92 2 0 1000.00 -999 ? >ARG~A 121 -30.40 -24.29 -8.91 -33.24 -23.20 -9.35 -31.82 -23.75 -9.13 2 0 1000.00 -999 ? >PHE~A 122 -29.25 -24.89 -0.21 -28.07 -24.90 2.33 -28.66 -24.89 1.06 3 0 1000.00 -999 ? >VAL~A 123 -29.48 -29.32 -1.23 -31.15 -30.59 -0.66 -30.32 -29.95 -0.95 3 0 1000.00 -999 ? >GLU~A 124 -26.41 -30.20 -6.55 -25.85 -32.11 -7.33 -26.13 -31.16 -6.94 2 0 1000.00 -999 ? >ALA~A 125 -24.67 -27.92 -3.28 -24.83 -26.40 -3.35 -24.75 -27.16 -3.31 2 0 1000.00 -999 ? >CYH~A 126 -24.42 -29.17 0.33 -26.30 -27.74 1.90 -25.36 -28.46 1.11 2 0 1000.00 -999 ? >ARG~A 127 -25.56 -34.60 -3.32 -25.63 -37.64 -3.65 -25.59 -36.12 -3.48 2 0 1000.00 -999 ? >PRO~A 128 -20.27 -30.17 -2.38 -20.38 -32.07 -1.25 -20.32 -31.12 -1.82 3 0 1000.00 -999 ? >LEU~A 129 -20.04 -28.90 2.47 -19.66 -27.04 1.43 -19.85 -27.97 1.95 3 0 1000.00 -999 ? >LEU~A 130 -22.71 -33.88 3.42 -24.70 -33.07 3.63 -23.71 -33.47 3.52 3 0 1000.00 -999 ? >ALA~B 32 -40.26 -21.70 30.11 -40.93 -22.15 28.81 -40.60 -21.92 29.46 2 0 1000.00 -999 ? >PRO~B 33 -38.40 -25.56 30.57 -37.70 -23.45 30.51 -38.05 -24.51 30.54 3 0 1000.00 -999 ? >GLU~B 34 -37.35 -23.89 24.26 -37.72 -21.88 23.62 -37.54 -22.88 23.94 2 0 1000.00 -999 ? >GLU~B 35 -39.46 -19.55 26.63 -41.04 -18.13 26.58 -40.25 -18.84 26.60 2 0 1000.00 -999 ? >ARG~B 36 -33.69 -22.04 31.80 -32.47 -22.90 34.48 -33.08 -22.47 33.14 2 0 1000.00 -999 ? >CYH~B 37 -32.06 -21.83 27.72 -31.00 -24.21 26.63 -31.53 -23.02 27.17 2 0 1000.00 -999 ? >ARG~B 38 -34.80 -18.08 22.01 -36.10 -15.35 22.58 -35.45 -16.72 22.30 2 0 1000.00 -999 ? >LEU~B 39 -32.54 -15.98 27.50 -34.47 -15.06 27.22 -33.50 -15.52 27.36 3 0 1000.00 -999 ? >ALA~B 40 -28.75 -18.21 28.08 -28.80 -19.43 28.98 -28.77 -18.82 28.53 2 0 1000.00 -999 ? >ALA~B 41 -27.50 -19.38 24.67 -28.25 -20.31 23.74 -27.87 -19.84 24.20 2 0 1000.00 -999 ? >GLN~B 42 -30.24 -15.90 22.37 -31.91 -14.70 21.80 -31.07 -15.30 22.08 2 0 1000.00 -999 ? >ALA~B 43 -26.05 -14.44 26.24 -26.56 -14.51 27.67 -26.31 -14.47 26.95 2 0 1000.00 -999 ? >CYH~B 44 -23.36 -16.98 25.51 -22.13 -19.49 25.63 -22.74 -18.23 25.57 2 0 1000.00 -999 ? >ILE~B 45 -23.59 -16.15 20.66 -24.88 -16.26 20.05 -24.23 -16.21 20.36 3 0 1000.00 -999 ? >ARG~B 46 -25.35 -11.40 21.67 -25.72 -11.80 18.65 -25.54 -11.60 20.16 2 0 1000.00 -999 ? >ALA~B 47 -20.02 -13.28 25.61 -20.29 -14.18 26.81 -20.16 -13.73 26.21 2 0 1000.00 -999 ? >CYH~B 48 -17.98 -15.35 23.18 -18.37 -18.04 23.69 -18.17 -16.70 23.44 2 0 1000.00 -999 ? >GLU~B 49 -19.99 -13.56 18.82 -21.63 -12.85 17.67 -20.81 -13.20 18.24 2 0 1000.00 -999 ? >ARG~B 50 -19.06 -7.93 25.07 -21.65 -8.70 26.54 -20.35 -8.31 25.80 2 0 1000.00 -999 ? >TYR~B 51 -13.01 -14.41 24.93 -10.62 -15.83 25.11 -11.82 -15.12 25.02 3 0 1000.00 -999 ? >LEU~B 52 -14.00 -13.49 19.50 -14.15 -15.59 19.12 -14.07 -14.54 19.31 3 0 1000.00 -999 ? >ALA~B 53 -12.78 -9.26 19.55 -13.92 -8.54 18.83 -13.35 -8.90 19.19 2 0 1000.00 -999 ? >LEU~B 54 -13.01 -7.26 23.88 -14.22 -6.00 22.58 -13.61 -6.63 23.23 3 0 1000.00 -999 ? >CYH~B 55 -9.57 -9.98 24.74 -8.66 -12.07 26.26 -9.11 -11.02 25.50 2 0 1000.00 -999 ? >THR.B 56 -5.98 -8.91 24.06 -5.48 -6.82 23.95 -5.73 -7.87 24.00 2 0 1000.00 -999 ? >GLU.B 57 -5.27 -11.73 27.96 -4.86 -11.94 30.02 -5.06 -11.84 28.99 2 0 1000.00 -999 ? >SER.B 58 -6.28 -14.70 23.94 -7.52 -13.71 22.09 -6.90 -14.21 23.02 2 0 1000.00 -999 ? >SER~B 59 -4.53 -17.65 22.28 -3.76 -19.96 22.28 -4.14 -18.80 22.28 2 0 1000.00 -999 ? >ARG~B 60 -2.39 -20.23 19.38 -0.67 -17.70 19.62 -1.53 -18.96 19.50 2 0 1000.00 -999 ? >GLU~B 61 -6.64 -24.27 21.94 -6.69 -25.94 20.63 -6.66 -25.11 21.29 2 0 1000.00 -999 ? >GLN~B 62 -7.26 -19.79 25.08 -6.47 -18.45 26.57 -6.86 -19.12 25.83 2 0 1000.00 -999 ? >ARG~B 63 -8.01 -15.03 19.21 -6.19 -15.79 16.87 -7.10 -15.41 18.04 2 0 1000.00 -999 ? >GLN~B 64 -10.62 -23.37 17.16 -11.56 -22.84 15.33 -11.09 -23.10 16.24 2 0 1000.00 -999 ? >HIS~B 65 -11.71 -24.21 22.90 -10.84 -26.12 22.90 -11.27 -25.16 22.90 3 0 1000.00 -999 ? >ALA~B 66 -14.87 -19.33 21.88 -14.28 -17.94 22.12 -14.57 -18.64 22.00 2 0 1000.00 -999 ? >GLY~B 67 -15.89 -19.36 18.21 -15.93 -19.98 18.72 -15.91 -19.67 18.47 1 0 1000.00 -999 ? >ASP~B 68 -16.08 -24.20 18.67 -14.47 -24.55 17.34 -15.27 -24.38 18.00 2 0 1000.00 -999 ? >CYH~B 69 -19.20 -22.38 21.22 -20.01 -21.82 23.88 -19.61 -22.10 22.55 2 0 1000.00 -999 ? >ALA~B 70 -20.53 -19.15 19.65 -19.71 -17.94 19.24 -20.12 -18.55 19.44 2 0 1000.00 -999 ? >ASP~B 71 -20.36 -21.60 15.41 -18.97 -20.23 14.56 -19.66 -20.92 14.98 2 0 1000.00 -999 ? >LEU~B 72 -22.17 -25.02 18.80 -21.03 -26.65 17.94 -21.60 -25.84 18.37 3 0 1000.00 -999 ? >CYH~B 73 -24.94 -21.77 20.27 -23.93 -21.55 22.90 -24.43 -21.66 21.59 2 0 1000.00 -999 ? >ARG~B 74 -24.06 -17.20 15.39 -24.87 -14.23 15.64 -24.47 -15.72 15.52 2 0 1000.00 -999 ? >LEU~B 75 -26.51 -24.36 15.42 -26.90 -25.76 13.83 -26.71 -25.06 14.63 3 0 1000.00 -999 ? >ALA~B 76 -29.08 -24.49 18.98 -28.35 -24.83 20.28 -28.72 -24.66 19.63 2 0 1000.00 -999 ? >ALA~B 77 -30.69 -21.09 19.47 -29.95 -19.76 19.58 -30.32 -20.42 19.52 2 0 1000.00 -999 ? >LEU~B 78 -31.37 -20.87 14.61 -31.88 -21.31 12.52 -31.63 -21.09 13.57 3 0 1000.00 -999 ? >LEU~B 79 -32.67 -25.75 16.49 -31.72 -26.74 14.83 -32.19 -26.24 15.66 3 0 1000.00 -999 ? >MET?B 80 -35.04 -23.62 19.70 -32.76 -23.41 23.40 -33.90 -23.51 21.55 2 0 1000.00 -999 ? >GLU~B 81 -35.12 -18.83 18.40 -34.03 -17.31 17.43 -34.58 -18.07 17.92 2 0 1000.00 -999 ? >ARG~B 82 -37.39 -20.54 13.19 -39.73 -19.61 11.43 -38.56 -20.08 12.31 2 0 1000.00 -999 ? >ARG.B 83 -40.86 -23.21 18.94 -40.95 -20.63 20.63 -40.90 -21.92 19.78 2 0 1000.00 -999 ? >SER.B 84 -37.08 -27.96 15.66 -35.19 -28.86 14.43 -36.14 -28.41 15.05 2 0 1000.00 -999 ? >PRO.B 85 -37.64 -32.16 14.70 -37.10 -30.96 16.50 -37.37 -31.56 15.60 3 0 1000.00 -999 ? >TRP~B 86 -31.93 -33.31 14.23 -34.95 -33.13 11.72 -33.44 -33.22 12.97 3 0 1000.00 -999 ? >ALA~B 87 -33.08 -28.42 19.08 -34.29 -27.66 19.63 -33.69 -28.04 19.36 2 0 1000.00 -999 ? >PRO~B 88 -33.92 -32.10 21.21 -32.58 -30.37 21.49 -33.25 -31.24 21.35 3 0 1000.00 -999 ? >ALA~B 89 -29.61 -32.52 19.96 -29.85 -33.19 18.62 -29.73 -32.86 19.29 2 0 1000.00 -999 ? >ALA~B 90 -27.88 -29.32 18.92 -28.45 -28.29 17.95 -28.16 -28.81 18.43 2 0 1000.00 -999 ? >CYH~B 91 -28.30 -28.01 22.46 -30.65 -26.62 23.13 -29.48 -27.32 22.79 2 0 1000.00 -999 ? >GLU~B 92 -25.63 -32.99 25.00 -26.43 -34.89 25.43 -26.03 -33.94 25.21 2 0 1000.00 -999 ? >LEU~B 93 -23.63 -30.44 19.72 -21.97 -30.74 18.37 -22.80 -30.59 19.04 3 0 1000.00 -999 ? >ALA~B 94 -23.31 -26.67 22.09 -24.46 -25.69 21.89 -23.88 -26.18 21.99 2 0 1000.00 -999 ? >ALA~B 95 -23.19 -27.32 25.85 -24.25 -28.08 26.64 -23.72 -27.70 26.24 2 0 1000.00 -999 ? >ARG~B 96 -18.89 -32.58 23.06 -16.71 -34.45 24.15 -17.80 -33.51 23.60 2 0 1000.00 -999 ? >TYR~B 97 -17.67 -27.50 21.28 -16.43 -29.39 19.64 -17.05 -28.44 20.46 3 0 1000.00 -999 ? >ALA~B 98 -19.72 -24.42 26.05 -21.19 -24.35 26.43 -20.45 -24.38 26.24 2 0 1000.00 -999 ? >LEU~B 99 -18.43 -27.26 29.76 -18.35 -29.39 29.38 -18.39 -28.32 29.57 3 0 1000.00 -999 ? >ALA~B 100 -14.84 -26.86 27.00 -14.84 -27.64 25.69 -14.84 -27.25 26.34 2 0 1000.00 -999 ? >CYH~B 101 -14.69 -23.12 26.22 -15.50 -20.53 25.36 -15.10 -21.83 25.79 2 0 1000.00 -999 ? >ALA~B 102 -14.92 -22.22 29.92 -16.11 -22.54 30.83 -15.51 -22.38 30.38 2 0 1000.00 -999 ? >GLU~B 103 -13.49 -26.97 30.98 -13.64 -28.98 30.28 -13.56 -27.97 30.63 2 0 1000.00 -999 ? >ARG~B 104 -9.35 -25.70 25.70 -8.51 -28.17 24.10 -8.93 -26.93 24.90 2 0 1000.00 -999 ? >CYH~B 105 -10.93 -19.37 28.24 -11.63 -19.49 25.49 -11.28 -19.43 26.86 2 0 1000.00 -999 ? >ASP~B 106 -12.29 -19.52 32.89 -12.95 -18.50 34.62 -12.62 -19.01 33.75 2 0 1000.00 -999 ? >GLY.B 107 -8.97 -16.37 33.55 -9.72 -16.21 33.87 -9.34 -16.29 33.71 1 0 1000.00 -999 ? >ASP.B 108 -7.67 -12.95 36.40 -6.77 -14.62 37.31 -7.22 -13.79 36.85 2 0 1000.00 -999 ? >GLU~B 109 -7.94 -9.57 32.25 -7.12 -9.05 30.36 -7.53 -9.31 31.30 2 0 1000.00 -999 ? >PRO~B 110 -12.89 -7.37 32.67 -13.01 -9.52 33.23 -12.95 -8.44 32.95 3 0 1000.00 -999 ? >LEU~B 111 -13.06 -10.14 28.33 -13.39 -8.60 26.87 -13.22 -9.37 27.60 3 0 1000.00 -999 ? >GLU~B 112 -10.00 -13.72 30.07 -8.07 -13.57 30.90 -9.04 -13.65 30.49 2 0 1000.00 -999 ? >ARG~B 113 -15.80 -11.87 36.20 -18.67 -12.94 35.92 -17.23 -12.40 36.06 2 0 1000.00 -999 ? >GLU~B 114 -17.96 -10.76 31.86 -17.41 -8.89 31.03 -17.68 -9.82 31.45 2 0 1000.00 -999 ? >CYH~B 115 -17.08 -15.63 28.64 -15.78 -17.06 26.61 -16.43 -16.34 27.63 2 0 1000.00 -999 ? >ALA~B 116 -16.58 -18.59 30.95 -15.39 -18.81 31.88 -15.98 -18.70 31.41 2 0 1000.00 -999 ? >GLY~B 117 -19.53 -17.53 33.09 -19.51 -17.69 32.26 -19.52 -17.61 32.68 1 0 1000.00 -999 ? >ALA~B 118 -21.98 -17.23 30.21 -21.84 -16.25 29.05 -21.91 -16.74 29.63 2 0 1000.00 -999 ? >CYH~B 119 -20.81 -20.68 29.05 -18.53 -20.53 27.36 -19.67 -20.60 28.21 2 0 1000.00 -999 ? >ARG~B 120 -18.86 -21.46 35.15 -16.28 -23.10 34.89 -17.57 -22.28 35.02 2 0 1000.00 -999 ? >ARG~B 121 -26.76 -16.83 32.51 -28.87 -16.77 34.75 -27.81 -16.80 33.63 2 0 1000.00 -999 ? >PHE~B 122 -25.45 -22.47 26.87 -26.27 -24.20 24.82 -25.86 -23.33 25.85 3 0 1000.00 -999 ? >VAL~B 123 -25.05 -25.32 30.20 -23.20 -26.46 30.21 -24.13 -25.89 30.21 3 0 1000.00 -999 ? >GLU~B 124 -25.32 -23.80 35.17 -24.87 -22.05 36.29 -25.10 -22.92 35.73 2 0 1000.00 -999 ? >ALA~B 125 -30.03 -24.04 31.37 -30.23 -22.67 30.73 -30.13 -23.35 31.05 2 0 1000.00 -999 ? >CYH.B 126 -29.61 -27.16 29.23 -27.66 -26.22 27.35 -28.64 -26.69 28.29 2 0 1000.00 -999 ? >ARG.B 127 -27.19 -30.18 34.63 -26.89 -32.30 36.83 -27.04 -31.24 35.73 2 0 1000.00 -999 ? >PRO.B 128 -32.98 -26.74 32.56 -32.93 -28.97 32.62 -32.96 -27.86 32.59 3 0 1000.00 -999 ? >GLY.C 27 -41.33 -7.59 -27.27 -40.60 -7.87 -27.56 -40.96 -7.73 -27.41 1 0 1000.00 -999 ? >ALA.C 28 -39.38 -4.51 -28.36 -39.98 -3.37 -29.18 -39.68 -3.94 -28.77 2 0 1000.00 -999 ? >ALA.C 29 -38.79 -3.87 -24.65 -39.82 -4.19 -23.57 -39.31 -4.03 -24.11 2 0 1000.00 -999 ? >ALA.C 30 -36.10 -6.54 -24.31 -36.31 -8.03 -24.60 -36.21 -7.29 -24.46 2 0 1000.00 -999 ? >GLN.C 31 -34.93 -6.03 -29.07 -36.17 -6.13 -30.79 -35.55 -6.08 -29.93 2 0 1000.00 -999 ? >ALA~C 32 -32.77 -1.86 -24.90 -32.44 -2.03 -23.41 -32.60 -1.94 -24.15 2 0 1000.00 -999 ? >PRO~C 33 -30.73 1.96 -24.54 -30.64 0.22 -25.92 -30.68 1.09 -25.23 3 0 1000.00 -999 ? >GLU~C 34 -26.06 -2.33 -22.37 -25.71 -2.16 -20.30 -25.89 -2.25 -21.34 2 0 1000.00 -999 ? >GLU~C 35 -30.36 -6.60 -26.39 -30.89 -6.48 -28.45 -30.63 -6.54 -27.42 2 0 1000.00 -999 ? >ARG~C 36 -31.26 -2.99 -29.91 -31.89 -4.66 -32.39 -31.57 -3.83 -31.15 2 0 1000.00 -999 ? >CYH~C 37 -24.86 -1.76 -28.58 -22.78 -0.29 -27.31 -23.82 -1.03 -27.95 2 0 1000.00 -999 ? >ARG~C 38 -24.58 -8.25 -25.15 -27.58 -8.53 -24.50 -26.08 -8.39 -24.83 2 0 1000.00 -999 ? >LEU~C 39 -26.66 -6.55 -31.32 -28.24 -7.88 -30.64 -27.45 -7.21 -30.98 3 0 1000.00 -999 ? >ALA~C 40 -23.40 -3.90 -32.73 -23.63 -2.40 -32.54 -23.51 -3.15 -32.64 2 0 1000.00 -999 ? >ALA~C 41 -20.17 -4.82 -30.97 -19.96 -4.95 -29.46 -20.07 -4.89 -30.22 2 0 1000.00 -999 ? >GLN~C 42 -21.58 -9.88 -30.17 -23.44 -10.76 -29.57 -22.51 -10.32 -29.87 2 0 1000.00 -999 ? >ALA~C 43 -21.08 -7.52 -35.62 -22.24 -6.64 -36.08 -21.66 -7.08 -35.85 2 0 1000.00 -999 ? >CYH~C 44 -18.05 -5.24 -35.41 -16.39 -3.10 -34.59 -17.22 -4.17 -35.00 2 0 1000.00 -999 ? >ILE~C 45 -15.65 -8.57 -32.73 -15.73 -9.35 -32.49 -15.69 -8.96 -32.61 3 0 1000.00 -999 ? >ARG~C 46 -20.40 -12.04 -36.03 -21.89 -11.22 -38.58 -21.15 -11.63 -37.31 2 0 1000.00 -999 ? >ALA~C 47 -16.36 -7.65 -39.44 -17.09 -6.32 -39.57 -16.72 -6.98 -39.50 2 0 1000.00 -999 ? >CYH~C 48 -12.88 -6.80 -38.16 -13.23 -4.45 -36.65 -13.06 -5.63 -37.41 2 0 1000.00 -999 ? >GLU~C 49 -12.16 -11.27 -35.62 -12.66 -12.90 -34.37 -12.41 -12.09 -34.99 2 0 1000.00 -999 ? >ARG~C 50 -16.82 -12.23 -42.56 -19.09 -10.84 -41.04 -17.96 -11.53 -41.80 2 0 1000.00 -999 ? >TYR~C 51 -10.46 -5.84 -42.49 -8.45 -4.08 -43.34 -9.45 -4.96 -42.91 3 0 1000.00 -999 ? >LEU~C 52 -7.87 -9.24 -39.31 -6.02 -8.93 -38.24 -6.94 -9.08 -38.77 3 0 1000.00 -999 ? >ALA~C 53 -8.35 -12.71 -42.29 -9.23 -13.73 -41.57 -8.79 -13.22 -41.93 2 0 1000.00 -999 ? >LEU~C 54 -11.17 -12.55 -46.05 -12.22 -14.38 -45.55 -11.69 -13.47 -45.80 3 0 1000.00 -999 ? >CYH~C 55 -8.48 -8.85 -46.87 -8.61 -6.07 -47.21 -8.54 -7.46 -47.04 2 0 1000.00 -999 ? >THR.C 56 -5.45 -9.31 -49.08 -5.31 -10.59 -50.78 -5.38 -9.95 -49.93 2 0 1000.00 -999 ? >GLU.C 57 -6.24 -4.53 -51.01 -6.66 -3.57 -52.86 -6.45 -4.05 -51.93 2 0 1000.00 -999 ? >SER.C 58 -4.15 -4.54 -45.99 -4.50 -6.33 -44.38 -4.32 -5.43 -45.18 2 0 1000.00 -999 ? >SER~C 59 -1.07 -3.05 -44.31 -1.40 -0.96 -43.13 -1.24 -2.00 -43.72 2 0 1000.00 -999 ? >ARG~C 60 3.84 -4.58 -40.38 4.86 -2.35 -38.55 4.35 -3.47 -39.47 2 0 1000.00 -999 ? >GLU~C 61 -0.76 1.18 -38.94 0.29 0.67 -37.18 -0.23 0.92 -38.06 2 0 1000.00 -999 ? >GLN~C 62 -4.99 -0.30 -42.78 -5.38 -0.39 -44.87 -5.19 -0.34 -43.83 2 0 1000.00 -999 ? >ARG~C 63 -2.78 -7.94 -41.56 -0.54 -7.36 -43.54 -1.66 -7.65 -42.55 2 0 1000.00 -999 ? >GLN~C 64 -1.78 -2.91 -34.17 -0.55 -4.35 -33.16 -1.16 -3.63 -33.67 2 0 1000.00 -999 ? >HIS~C 65 -5.49 0.69 -36.65 -4.09 2.25 -36.47 -4.79 1.47 -36.56 3 0 1000.00 -999 ? >ALA~C 66 -8.74 -4.13 -36.80 -8.86 -4.76 -38.17 -8.80 -4.44 -37.48 2 0 1000.00 -999 ? >GLY~C 67 -7.23 -6.69 -34.44 -7.45 -5.90 -34.26 -7.34 -6.30 -34.35 1 0 1000.00 -999 ? >ASP~C 68 -6.19 -3.09 -31.31 -4.14 -3.60 -31.47 -5.16 -3.35 -31.39 2 0 1000.00 -999 ? >CYH~C 69 -10.60 -3.00 -32.30 -12.80 -2.00 -33.73 -11.70 -2.50 -33.01 2 0 1000.00 -999 ? >ALA~C 70 -12.09 -6.49 -32.21 -11.61 -7.68 -33.04 -11.85 -7.08 -32.62 2 0 1000.00 -999 ? >ASP~C 71 -9.03 -7.20 -28.52 -8.07 -8.74 -29.63 -8.55 -7.97 -29.07 2 0 1000.00 -999 ? >LEU~C 72 -11.31 -2.40 -28.03 -9.57 -1.23 -27.50 -10.44 -1.81 -27.76 3 0 1000.00 -999 ? >CYH~C 73 -15.18 -4.64 -28.65 -15.72 -3.30 -31.05 -15.45 -3.97 -29.85 2 0 1000.00 -999 ? >ARG~C 74 -12.61 -10.79 -28.47 -13.52 -12.78 -30.63 -13.07 -11.79 -29.55 2 0 1000.00 -999 ? >LEU~C 75 -13.21 -5.38 -23.35 -12.61 -4.72 -21.37 -12.91 -5.05 -22.36 3 0 1000.00 -999 ? >ALA~C 76 -17.29 -3.92 -24.08 -17.46 -2.90 -25.19 -17.37 -3.41 -24.63 2 0 1000.00 -999 ? >ALA~C 77 -19.61 -6.77 -25.21 -19.30 -7.69 -26.39 -19.45 -7.23 -25.80 2 0 1000.00 -999 ? >LEU~C 78 -17.05 -9.27 -22.05 -16.24 -10.64 -20.58 -16.65 -9.96 -21.32 3 0 1000.00 -999 ? >LEU~C 79 -18.15 -4.68 -19.73 -16.23 -4.70 -18.68 -17.19 -4.69 -19.20 3 0 1000.00 -999 ? >MET?C 80 -22.41 -5.13 -21.29 -22.52 -2.72 -24.77 -22.46 -3.92 -23.03 2 0 1000.00 -999 ? >GLU~C 81 -23.35 -10.31 -22.88 -21.92 -11.38 -23.98 -22.63 -10.85 -23.43 2 0 1000.00 -999 ? >ARG~C 82 -18.76 -10.13 -17.05 -18.30 -10.72 -14.07 -18.53 -10.42 -15.56 2 0 1000.00 -999 ? >ARG.C 83 -28.14 -5.24 -16.64 -31.13 -4.86 -16.03 -29.63 -5.05 -16.34 2 0 1000.00 -999 ? >SER.C 84 -21.27 -4.21 -15.49 -18.90 -3.68 -15.41 -20.09 -3.95 -15.45 2 0 1000.00 -999 ? >PRO.C 85 -20.42 -1.61 -12.13 -21.28 -1.37 -14.17 -20.85 -1.49 -13.15 3 0 1000.00 -999 ? >TRP~C 86 -17.19 0.45 -13.03 -14.66 -2.09 -11.40 -15.92 -0.82 -12.21 3 0 1000.00 -999 ? >ALA~C 87 -19.54 -0.93 -19.27 -20.89 -1.61 -19.51 -20.22 -1.27 -19.39 2 0 1000.00 -999 ? >PRO~C 88 -20.74 3.16 -18.21 -20.06 2.06 -20.02 -20.40 2.61 -19.12 3 0 1000.00 -999 ? >ALA~C 89 -16.39 3.52 -19.68 -15.67 3.36 -18.34 -16.03 3.44 -19.01 2 0 1000.00 -999 ? >ALA~C 90 -15.45 0.46 -21.74 -15.82 -0.98 -21.42 -15.64 -0.26 -21.58 2 0 1000.00 -999 ? >CYH~C 91 -17.80 1.44 -24.57 -20.24 0.15 -24.30 -19.02 0.79 -24.44 2 0 1000.00 -999 ? >GLU~C 92 -15.43 7.18 -24.03 -14.87 8.36 -22.38 -15.15 7.77 -23.21 2 0 1000.00 -999 ? >LEU~C 93 -11.87 2.76 -24.22 -9.77 2.22 -24.14 -10.82 2.49 -24.18 3 0 1000.00 -999 ? >ALA~C 94 -13.91 0.77 -27.72 -14.92 -0.34 -27.40 -14.41 0.22 -27.56 2 0 1000.00 -999 ? >ALA~C 95 -15.85 3.42 -29.64 -16.98 4.28 -29.07 -16.41 3.85 -29.35 2 0 1000.00 -999 ? >ARG~C 96 -9.99 7.29 -27.68 -8.65 9.86 -28.66 -9.32 8.58 -28.17 2 0 1000.00 -999 ? >TYR~C 97 -8.91 2.89 -29.69 -7.14 4.38 -28.11 -8.03 3.63 -28.90 3 0 1000.00 -999 ? >ALA~C 98 -13.53 1.54 -33.42 -14.93 1.15 -32.96 -14.23 1.34 -33.19 2 0 1000.00 -999 ? >LEU~C 99 -14.12 6.28 -34.18 -14.31 8.31 -34.92 -14.22 7.30 -34.55 3 0 1000.00 -999 ? >ALA~C 100 -10.02 5.18 -35.52 -9.00 5.09 -34.40 -9.51 5.13 -34.96 2 0 1000.00 -999 ? >CYH~C 101 -10.20 1.78 -37.16 -10.67 -0.96 -37.48 -10.44 0.41 -37.32 2 0 1000.00 -999 ? >ALA~C 102 -13.09 2.66 -39.45 -14.48 3.10 -39.00 -13.79 2.88 -39.22 2 0 1000.00 -999 ? >GLU~C 103 -11.77 7.59 -38.91 -11.19 9.03 -37.47 -11.48 8.31 -38.19 2 0 1000.00 -999 ? >ARG~C 104 -6.30 5.71 -38.98 -5.47 6.15 -36.04 -5.89 5.93 -37.51 2 0 1000.00 -999 ? >CYH~C 105 -9.54 0.57 -42.74 -8.61 -1.13 -40.72 -9.08 -0.28 -41.73 2 0 1000.00 -999 ? >ASP~C 106 -13.15 3.08 -44.74 -15.06 3.03 -45.64 -14.11 3.06 -45.19 2 0 1000.00 -999 ? >GLY.C 107 -11.82 1.38 -48.75 -12.62 1.19 -48.59 -12.22 1.29 -48.67 1 0 1000.00 -999 ? >ASP.C 108 -12.74 0.37 -53.41 -12.78 2.33 -54.18 -12.76 1.35 -53.80 2 0 1000.00 -999 ? >GLU~C 109 -11.18 -4.38 -52.12 -9.81 -5.94 -51.69 -10.49 -5.16 -51.91 2 0 1000.00 -999 ? >PRO~C 110 -16.33 -6.76 -51.12 -16.00 -4.78 -50.14 -16.16 -5.77 -50.63 3 0 1000.00 -999 ? >LEU~C 111 -13.22 -7.36 -46.97 -13.21 -9.48 -46.53 -13.22 -8.42 -46.75 3 0 1000.00 -999 ? >GLU~C 112 -10.86 -2.81 -47.66 -10.10 -2.15 -49.55 -10.48 -2.48 -48.60 2 0 1000.00 -999 ? >ARG~C 113 -17.66 -0.56 -50.07 -19.84 -2.68 -49.62 -18.75 -1.62 -49.85 2 0 1000.00 -999 ? >GLU~C 114 -19.20 -5.76 -45.35 -18.60 -6.97 -46.98 -18.90 -6.37 -46.16 2 0 1000.00 -999 ? >CYH~C 115 -15.32 -3.33 -41.56 -12.85 -3.29 -40.23 -14.09 -3.31 -40.90 2 0 1000.00 -999 ? >ALA~C 116 -15.67 0.45 -41.38 -15.30 1.41 -42.52 -15.49 0.93 -41.95 2 0 1000.00 -999 ? >GLY~C 117 -19.44 0.03 -41.56 -18.93 -0.26 -40.99 -19.19 -0.11 -41.27 1 0 1000.00 -999 ? >ALA~C 118 -19.66 -2.27 -38.54 -19.09 -3.69 -38.49 -19.37 -2.98 -38.52 2 0 1000.00 -999 ? >CYH~C 119 -17.22 -0.07 -36.61 -14.55 -0.97 -37.04 -15.88 -0.52 -36.83 2 0 1000.00 -999 ? >ARG~C 120 -18.33 5.42 -40.21 -15.57 6.49 -41.08 -16.95 5.95 -40.65 2 0 1000.00 -999 ? >ARG~C 121 -25.14 -1.04 -36.66 -26.81 -2.42 -38.83 -25.98 -1.73 -37.75 2 0 1000.00 -999 ? >PHE~C 122 -19.11 -0.70 -31.54 -18.12 -0.60 -28.92 -18.61 -0.65 -30.23 3 0 1000.00 -999 ? >VAL~C 123 -19.73 3.72 -32.33 -18.08 4.95 -33.07 -18.90 4.33 -32.70 3 0 1000.00 -999 ? >GLU~C 124 -23.45 5.82 -35.47 -24.15 5.20 -37.37 -23.80 5.51 -36.42 2 0 1000.00 -999 ? >ALA~C 125 -24.79 2.46 -30.79 -24.76 0.95 -31.05 -24.78 1.70 -30.92 2 0 1000.00 -999 ? >CYH~C 126 -22.42 3.49 -27.95 -20.06 1.95 -28.35 -21.24 2.72 -28.15 2 0 1000.00 -999 ? >ARG~C 127 -24.78 10.07 -30.15 -23.14 12.55 -29.34 -23.96 11.31 -29.74 2 0 1000.00 -999 ? >PRO~C 128 -27.22 4.58 -27.04 -26.30 6.41 -26.16 -26.76 5.50 -26.60 3 0 1000.00 -999 ? >LEU~C 129 -24.04 3.41 -23.24 -25.20 1.66 -23.72 -24.62 2.54 -23.48 3 0 1000.00 -999 ? >LEU~C 130 -21.14 8.31 -24.31 -19.94 7.55 -25.94 -20.54 7.93 -25.13 3 0 1000.00 -999 ? >PRO.C 131 -18.71 7.75 -19.81 -20.75 8.49 -20.28 -19.73 8.12 -20.04 3 0 1000.00 -999 ? >GLN~D 31 11.01 -3.60 -24.66 11.39 -4.36 -26.61 11.20 -3.98 -25.63 2 0 1000.00 -999 ? >ALA~D 32 10.86 -3.76 -20.13 12.19 -3.50 -19.45 11.52 -3.63 -19.79 2 0 1000.00 -999 ? >PRO~D 33 8.87 -0.01 -19.03 8.86 -2.12 -18.33 8.87 -1.06 -18.68 3 0 1000.00 -999 ? >GLU~D 34 4.36 -2.59 -22.52 4.49 -2.54 -24.62 4.42 -2.57 -23.57 2 0 1000.00 -999 ? >GLU~D 35 7.94 -8.76 -19.71 6.39 -10.07 -20.35 7.17 -9.41 -20.03 2 0 1000.00 -999 ? >ARG~D 36 7.34 -3.55 -13.95 9.55 -5.13 -12.50 8.45 -4.34 -13.23 2 0 1000.00 -999 ? >CYH~D 37 3.07 -4.47 -16.42 1.17 -2.51 -17.32 2.12 -3.49 -16.87 2 0 1000.00 -999 ? >ARG~D 38 2.31 -9.85 -21.46 3.75 -12.55 -21.22 3.03 -11.20 -21.34 2 0 1000.00 -999 ? >LEU~D 39 4.34 -10.14 -15.51 5.54 -11.44 -16.76 4.94 -10.79 -16.14 3 0 1000.00 -999 ? >ALA~D 40 1.54 -7.59 -13.21 1.92 -6.12 -13.05 1.73 -6.86 -13.13 2 0 1000.00 -999 ? >ALA~D 41 -1.75 -7.79 -15.10 -1.97 -7.29 -16.54 -1.86 -7.54 -15.82 2 0 1000.00 -999 ? >GLN~D 42 -0.66 -12.19 -17.46 0.74 -13.46 -18.39 0.04 -12.83 -17.93 2 0 1000.00 -999 ? >ALA~D 43 -1.15 -11.80 -11.56 0.04 -11.19 -10.82 -0.56 -11.49 -11.19 2 0 1000.00 -999 ? >CYH~D 44 -4.06 -9.41 -11.01 -5.73 -7.11 -11.18 -4.90 -8.26 -11.09 2 0 1000.00 -999 ? >ILE~D 45 -6.45 -11.74 -14.66 -6.27 -12.40 -15.23 -6.36 -12.07 -14.94 3 0 1000.00 -999 ? >ARG~D 46 -2.12 -16.73 -12.23 0.38 -14.96 -12.36 -0.87 -15.85 -12.29 2 0 1000.00 -999 ? >ALA~D 47 -5.78 -12.99 -7.93 -5.05 -11.76 -7.41 -5.41 -12.37 -7.67 2 0 1000.00 -999 ? >CYH~D 48 -9.22 -11.76 -8.98 -9.07 -8.99 -9.73 -9.14 -10.38 -9.35 2 0 1000.00 -999 ? >GLU~D 49 -9.85 -15.40 -12.90 -8.76 -16.38 -14.46 -9.30 -15.89 -13.68 2 0 1000.00 -999 ? >ARG~D 50 -5.61 -18.23 -7.21 -2.99 -16.78 -7.90 -4.30 -17.51 -7.55 2 0 1000.00 -999 ? >TYR~D 51 -11.79 -12.03 -4.56 -13.66 -10.52 -3.10 -12.72 -11.27 -3.83 3 0 1000.00 -999 ? >LEU~D 52 -14.26 -14.97 -8.78 -15.13 -13.22 -9.69 -14.69 -14.09 -9.23 3 0 1000.00 -999 ? >ALA~D 53 -13.99 -18.93 -6.85 -13.17 -19.81 -7.78 -13.58 -19.37 -7.31 2 0 1000.00 -999 ? >LEU~D 54 -11.01 -19.48 -3.14 -10.35 -20.70 -4.81 -10.68 -20.09 -3.98 3 0 1000.00 -999 ? >CYH~D 55 -13.64 -16.37 -1.25 -13.86 -13.82 -0.18 -13.75 -15.10 -0.72 2 0 1000.00 -999 ? >THR.D 56 -16.80 -17.12 0.72 -16.22 -18.82 1.93 -16.51 -17.97 1.33 2 0 1000.00 -999 ? >GLU.D 57 -15.59 -12.91 3.31 -14.82 -12.14 5.12 -15.20 -12.52 4.21 2 0 1000.00 -999 ? >SER.D 58 -17.56 -11.57 -1.01 -17.52 -13.01 -2.96 -17.54 -12.29 -1.99 2 0 1000.00 -999 ? >SER~D 59 -20.67 -9.51 -1.78 -20.20 -7.13 -2.08 -20.43 -8.32 -1.93 2 0 1000.00 -999 ? >ARG~D 60 -25.17 -7.97 -3.77 -24.77 -9.52 -1.16 -24.97 -8.75 -2.46 2 0 1000.00 -999 ? >GLU~D 61 -20.75 -3.29 -5.65 -22.23 -2.89 -7.14 -21.49 -3.09 -6.39 2 0 1000.00 -999 ? >GLN~D 62 -16.86 -6.68 -2.48 -16.43 -7.45 -0.51 -16.64 -7.06 -1.49 2 0 1000.00 -999 ? >ARG~D 63 -19.93 -13.44 -6.71 -22.18 -13.24 -4.65 -21.06 -13.34 -5.68 2 0 1000.00 -999 ? >GLN~D 64 -20.05 -5.97 -11.26 -21.30 -6.88 -12.75 -20.67 -6.42 -12.01 2 0 1000.00 -999 ? >HIS~D 65 -16.19 -3.69 -7.98 -17.52 -2.09 -7.72 -16.86 -2.89 -7.85 3 0 1000.00 -999 ? >ALA~D 66 -13.25 -8.57 -9.28 -13.24 -9.65 -8.21 -13.25 -9.11 -8.75 2 0 1000.00 -999 ? >GLY~D 67 -14.92 -10.07 -12.34 -14.63 -9.30 -12.27 -14.77 -9.69 -12.31 1 0 1000.00 -999 ? >ASP~D 68 -15.70 -5.68 -14.19 -17.75 -6.13 -14.23 -16.73 -5.90 -14.21 2 0 1000.00 -999 ? >CYH~D 69 -11.35 -6.05 -13.22 -9.21 -5.52 -11.43 -10.28 -5.79 -12.33 2 0 1000.00 -999 ? >ALA~D 70 -10.10 -9.43 -14.49 -10.60 -10.81 -14.07 -10.35 -10.12 -14.28 2 0 1000.00 -999 ? >ASP~D 71 -13.18 -8.55 -18.15 -14.36 -10.27 -17.72 -13.77 -9.41 -17.93 2 0 1000.00 -999 ? >LEU~D 72 -10.27 -4.16 -17.27 -11.87 -2.70 -17.38 -11.07 -3.43 -17.32 3 0 1000.00 -999 ? >CYH~D 73 -6.58 -6.69 -17.15 -6.20 -6.07 -14.45 -6.39 -6.38 -15.80 2 0 1000.00 -999 ? >ARG~D 74 -9.69 -12.05 -18.88 -10.09 -14.61 -17.24 -9.89 -13.33 -18.06 2 0 1000.00 -999 ? >LEU~D 75 -8.77 -5.73 -22.54 -9.15 -4.43 -24.22 -8.96 -5.08 -23.38 3 0 1000.00 -999 ? >ALA~D 76 -4.73 -4.68 -21.32 -4.57 -4.12 -19.92 -4.65 -4.40 -20.62 2 0 1000.00 -999 ? >ALA~D 77 -2.50 -7.77 -21.25 -2.76 -8.99 -20.36 -2.63 -8.38 -20.81 2 0 1000.00 -999 ? >LEU~D 78 -4.99 -9.12 -25.17 -5.39 -10.11 -27.05 -5.19 -9.62 -26.11 3 0 1000.00 -999 ? >LEU~D 79 -3.55 -4.05 -25.95 -5.39 -3.49 -26.97 -4.47 -3.77 -26.46 3 0 1000.00 -999 ? >MET?D 80 0.59 -5.34 -24.51 0.71 -4.15 -20.38 0.65 -4.75 -22.44 2 0 1000.00 -999 ? >GLU~D 81 0.81 -10.73 -24.33 -0.77 -11.96 -23.72 0.02 -11.34 -24.02 2 0 1000.00 -999 ? >ARG~D 82 -2.99 -7.23 -30.18 -4.75 -9.17 -31.74 -3.87 -8.20 -30.96 2 0 1000.00 -999 ? >ARG.D 83 5.21 -5.43 -27.34 7.81 -3.80 -27.11 6.51 -4.62 -27.23 2 0 1000.00 -999 ? >SER.D 84 -0.44 -2.54 -29.64 -2.77 -1.84 -29.51 -1.61 -2.19 -29.58 2 0 1000.00 -999 ? >PRO.D 85 -1.03 1.10 -31.98 -0.18 0.53 -30.01 -0.60 0.81 -30.99 3 0 1000.00 -999 ? >TRP~D 86 -4.31 2.92 -30.33 -6.88 1.08 -32.70 -5.60 2.00 -31.52 3 0 1000.00 -999 ? >ALA~D 87 -2.00 -0.65 -24.96 -0.67 -1.40 -24.91 -1.33 -1.03 -24.93 2 0 1000.00 -999 ? >PRO~D 88 -0.55 3.45 -24.65 -1.44 1.94 -23.27 -0.99 2.70 -23.96 3 0 1000.00 -999 ? >ALA~D 89 -5.05 3.60 -23.28 -5.72 3.82 -24.65 -5.39 3.71 -23.96 2 0 1000.00 -999 ? >ALA~D 90 -6.38 0.17 -22.25 -6.08 -1.14 -22.98 -6.23 -0.49 -22.62 2 0 1000.00 -999 ? >CYH~D 91 -3.97 0.03 -19.29 -1.59 -1.24 -20.17 -2.78 -0.61 -19.73 2 0 1000.00 -999 ? >GLU~D 92 -5.63 5.84 -18.02 -5.33 7.62 -19.10 -5.48 6.73 -18.56 2 0 1000.00 -999 ? >LEU~D 93 -9.75 1.59 -19.31 -11.88 1.15 -19.34 -10.82 1.37 -19.33 3 0 1000.00 -999 ? >ALA~D 94 -7.77 -1.16 -16.36 -6.85 -2.18 -16.98 -7.31 -1.67 -16.67 2 0 1000.00 -999 ? >ALA~D 95 -5.62 0.64 -13.77 -4.45 1.57 -14.07 -5.03 1.11 -13.92 2 0 1000.00 -999 ? >ARG~D 96 -11.13 5.27 -14.79 -12.95 7.03 -13.04 -12.04 6.15 -13.92 2 0 1000.00 -999 ? >TYR~D 97 -12.71 0.65 -13.67 -14.53 2.54 -14.66 -13.62 1.60 -14.17 3 0 1000.00 -999 ? >ALA~D 98 -8.05 -1.95 -10.66 -6.65 -2.16 -11.20 -7.35 -2.05 -10.93 2 0 1000.00 -999 ? >LEU~D 99 -7.62 2.21 -8.26 -5.88 3.25 -7.52 -6.75 2.73 -7.89 3 0 1000.00 -999 ? >ALA~D 100 -11.62 0.55 -7.37 -12.70 0.83 -8.41 -12.16 0.69 -7.89 2 0 1000.00 -999 ? >CYH~D 101 -11.41 -3.25 -7.17 -11.05 -5.99 -7.86 -11.23 -4.62 -7.52 2 0 1000.00 -999 ? >ALA~D 102 -8.65 -3.26 -4.56 -7.22 -2.78 -4.79 -7.93 -3.02 -4.67 2 0 1000.00 -999 ? >GLU~D 103 -9.59 1.77 -3.41 -10.13 3.54 -4.46 -9.86 2.66 -3.93 2 0 1000.00 -999 ? >ARG~D 104 -16.44 -0.77 -3.99 -18.48 1.24 -5.14 -17.46 0.23 -4.57 2 0 1000.00 -999 ? >CYH~D 105 -12.19 -6.18 -2.19 -13.27 -6.95 -4.64 -12.73 -6.57 -3.41 2 0 1000.00 -999 ? >ASP~D 106 -7.96 -5.88 0.26 -7.92 -3.93 1.01 -7.94 -4.90 0.63 2 0 1000.00 -999 ? >GLY.D 107 -9.78 -7.26 3.97 -9.05 -7.61 3.69 -9.42 -7.43 3.83 1 0 1000.00 -999 ? >ASP.D 108 -8.96 -9.66 8.04 -9.42 -7.81 8.96 -9.19 -8.74 8.50 2 0 1000.00 -999 ? >GLU~D 109 -10.93 -13.48 5.14 -12.41 -14.76 4.35 -11.67 -14.12 4.75 2 0 1000.00 -999 ? >PRO~D 110 -5.65 -15.71 3.53 -6.01 -13.57 3.02 -5.83 -14.64 3.27 3 0 1000.00 -999 ? >LEU~D 111 -9.04 -14.96 -0.50 -9.28 -17.02 -1.17 -9.16 -15.99 -0.84 3 0 1000.00 -999 ? >GLU~D 112 -11.09 -10.81 1.19 -11.88 -10.64 3.14 -11.49 -10.72 2.17 2 0 1000.00 -999 ? >ARG~D 113 -4.38 -9.73 4.20 -2.97 -12.32 5.06 -3.67 -11.03 4.63 2 0 1000.00 -999 ? >GLU~D 114 -3.24 -13.01 -1.35 -3.77 -15.05 -1.27 -3.50 -14.03 -1.31 2 0 1000.00 -999 ? >CYH~D 115 -6.66 -9.59 -4.80 -9.15 -8.93 -5.95 -7.90 -9.26 -5.37 2 0 1000.00 -999 ? >ALA~D 116 -6.27 -5.96 -3.80 -6.66 -5.36 -2.45 -6.47 -5.66 -3.13 2 0 1000.00 -999 ? >GLY~D 117 -2.50 -6.36 -3.62 -2.99 -6.50 -4.25 -2.75 -6.43 -3.94 1 0 1000.00 -999 ? >ALA~D 118 -2.26 -7.77 -7.13 -2.92 -9.06 -7.61 -2.59 -8.42 -7.37 2 0 1000.00 -999 ? >CYH~D 119 -4.46 -4.87 -8.27 -7.19 -5.57 -8.19 -5.82 -5.22 -8.23 2 0 1000.00 -999 ? >ARG~D 120 -3.08 -1.82 -2.85 -5.89 -1.01 -1.87 -4.48 -1.42 -2.36 2 0 1000.00 -999 ? >ARG~D 121 2.37 -6.96 -6.42 0.98 -9.68 -6.08 1.67 -8.32 -6.25 2 0 1000.00 -999 ? >PHE~D 122 -2.56 -3.95 -13.23 -3.45 -3.15 -15.75 -3.01 -3.55 -14.49 3 0 1000.00 -999 ? >VAL~D 123 -1.60 -0.05 -11.17 -3.28 0.92 -10.18 -2.44 0.43 -10.68 3 0 1000.00 -999 ? >GLU~D 124 3.78 1.01 -8.27 3.43 2.80 -7.15 3.61 1.91 -7.71 2 0 1000.00 -999 ? >ALA~D 125 3.24 -1.00 -12.99 3.23 -2.52 -13.14 3.24 -1.76 -13.07 2 0 1000.00 -999 ? >CYH~D 126 0.99 1.00 -15.32 -1.46 -0.40 -15.24 -0.24 0.30 -15.28 2 0 1000.00 -999 ? >ARG~D 127 2.73 4.74 -10.47 3.48 7.14 -8.72 3.11 5.94 -9.60 2 0 1000.00 -999 ? >PRO~D 128 5.90 1.76 -15.51 5.22 3.84 -15.94 5.56 2.80 -15.72 3 0 1000.00 -999 ? >LEU~D 129 2.98 2.26 -19.66 4.01 0.39 -19.93 3.50 1.32 -19.80 3 0 1000.00 -999 ? >LEU~D 130 0.00 6.12 -17.59 -1.99 6.82 -17.18 -1.00 6.47 -17.39 3 0 1000.00 -999 ?