REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAR-07 2P0T COMPND UPF0307 PROTEIN PSPTO_4464; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE PV. TOMATO; SOURCE 3 ORGANISM_TAXID: 223283; SOURCE 4 STRAIN: DC3000; SOURCE 5 GENE: PSPTO_4464; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: PMCSG19 AUTHOR K.TAN,L.BIGELOW,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTURAL AUTHOR 2 GENOMICS (MCSG) HET MSE A 76 8 HET FMT A 174 3 HET FMT A 175 3 HET FMT A 176 3 HET PEG A 177 7 SITE 1 AC1 3 GLU A 106 ARG A 109 PHE A 159 SITE 1 AC2 1 LEU A 168 SITE 1 AC3 4 ARG A 136 ARG A 140 LEU A 165 GLU A 167 SITE 1 AC4 5 ASN A 104 ARG A 107 TRP A 108 ARG A 111 >LEU~A 22 62.27 6.86 -0.08 62.45 7.08 -2.27 62.36 6.97 -1.18 3 0 38.89 -999 ? O1 FMT A 174 >HIS~A 23 55.99 7.84 0.02 53.99 8.09 0.60 54.99 7.97 0.31 3 0 33.32 -999 ? O1 FMT A 174 >ALA~A 24 58.09 3.11 -1.09 59.14 2.87 -2.21 58.61 2.99 -1.65 2 0 34.25 -999 ? O1 FMT A 174 >LEU~A 25 60.61 1.05 2.71 62.58 0.13 2.49 61.60 0.59 2.60 3 0 37.10 -999 ? O1 FMT A 174 >VAL~A 26 56.76 2.62 4.16 56.87 4.74 4.13 56.82 3.68 4.14 3 0 34.31 -999 ? O1 FMT A 174 >ASP~A 27 54.21 2.61 0.04 53.68 4.66 -0.22 53.95 3.64 -0.09 2 0 30.54 -999 ? O1 FMT A 174 >LEU~A 28 56.67 -2.02 1.26 57.08 -4.17 1.18 56.88 -3.09 1.22 3 0 31.53 -999 ? O1 FMT A 174 >GLY~A 29 55.06 -1.63 5.08 54.44 -1.45 4.54 54.75 -1.54 4.81 1 0 31.67 -999 ? O1 FMT A 174 >GLU~A 30 50.95 1.74 4.18 49.94 3.63 4.45 50.45 2.69 4.31 2 0 28.79 -999 ? O1 FMT A 174 >ARG~A 31 48.96 -3.53 -0.04 48.31 -5.49 -2.36 48.64 -4.51 -1.20 2 0 22.01 -999 ? O1 FMT A 174 >LEU~A 32 52.93 -5.69 5.40 54.47 -6.60 4.01 53.70 -6.15 4.70 3 0 29.63 -999 ? O1 FMT A 174 >THR~A 33 49.26 -4.38 7.66 49.26 -2.31 8.35 49.26 -3.34 8.01 2 0 28.47 -999 ? O1 FMT A 174 >THR.A 34 46.37 -5.07 5.30 46.04 -3.92 3.46 46.21 -4.49 4.38 2 0 22.77 -999 ? O1 FMT A 174 >LEU.A 35 48.36 -9.34 4.07 49.21 -8.33 2.26 48.78 -8.83 3.16 3 0 24.21 -999 ? O2 FMT A 175 >LYS~A 36 45.50 -12.01 6.04 40.69 -15.39 4.67 43.09 -13.70 5.36 2 0 16.87 -999 ? O1 FMT A 175 >ALA~A 37 47.89 -13.84 8.41 47.54 -14.19 9.91 47.72 -14.02 9.16 2 0 25.18 -999 ? O1 FMT A 175 >ASP~A 38 46.18 -16.53 5.44 45.49 -18.23 4.73 45.83 -17.38 5.09 2 0 19.22 -999 ? O1 FMT A 175 >VAL~A 39 49.38 -14.80 3.36 48.60 -13.47 1.77 48.99 -14.14 2.56 3 0 21.88 -999 ? O2 FMT A 175 >LEU~A 40 51.49 -12.49 7.11 50.89 -10.44 7.46 51.19 -11.46 7.29 3 0 27.04 -999 ? O2 FMT A 175 >ALA~A 41 52.78 -16.68 7.18 51.83 -17.75 7.66 52.31 -17.21 7.42 2 0 26.00 -999 ? O1 FMT A 175 >LYS.A 42 54.15 -17.47 3.60 51.97 -21.51 1.29 53.06 -19.49 2.44 2 0 22.49 -999 ? C FMT A 175 >LEU.A 43 55.67 -12.83 3.62 54.10 -12.12 2.19 54.88 -12.47 2.91 3 0 27.46 -999 ? O2 FMT A 175 >PRO.A 44 60.68 -13.71 2.60 59.28 -14.06 4.35 59.98 -13.88 3.48 3 0 31.78 -999 ? O2 FMT A 175 >LEU.A 45 58.03 -11.09 8.07 56.56 -10.51 6.51 57.29 -10.80 7.29 3 0 31.99 -999 ? O2 FMT A 175 >THR~A 46 61.69 -11.20 10.63 63.04 -9.44 10.35 62.36 -10.32 10.49 2 0 38.59 -999 ? O2 FMT A 175 >ASP~A 47 60.78 -12.55 15.33 61.00 -14.73 15.19 60.89 -13.64 15.26 2 0 38.21 -999 ? O1 FMT A 175 >ALA~A 48 60.35 -8.17 14.75 61.63 -7.26 14.84 60.99 -7.71 14.79 2 0 40.58 -999 ? O2 FMT A 175 >LEU~A 49 58.47 -7.64 10.23 57.81 -6.14 8.77 58.14 -6.89 9.50 3 0 35.18 -999 ? O2 FMT A 175 >ARG~A 50 56.17 -13.83 11.47 55.95 -14.59 8.45 56.06 -14.21 9.96 2 0 30.44 -999 ? C FMT A 175 >LYS~A 51 55.36 -8.57 15.97 57.03 -6.97 21.56 56.19 -7.77 18.76 2 0 41.76 -999 ? O1 FMT A 175 >ALA~A 52 55.15 -4.93 14.69 56.17 -4.23 13.82 55.66 -4.58 14.26 2 0 36.86 -999 ? O1 FMT A 174 >LEU~A 53 52.72 -7.07 11.18 53.53 -6.61 9.12 53.13 -6.84 10.15 3 0 31.94 -999 ? O2 FMT A 175 >ALA~A 54 50.28 -7.90 14.99 50.63 -9.22 15.77 50.46 -8.56 15.38 2 0 32.98 -999 ? O1 FMT A 175 >GLU~A 55 52.13 -3.22 18.42 54.09 -2.61 19.04 53.11 -2.91 18.73 2 0 39.06 -999 ? O1 FMT A 174 >ALA~A 56 49.59 -2.49 14.39 49.76 -2.66 12.80 49.68 -2.57 13.60 2 0 31.67 -999 ? O1 FMT A 174 >PRO~A 57 45.82 -4.76 14.81 46.47 -2.54 14.89 46.15 -3.65 14.85 3 0 30.63 -999 ? O1 FMT A 174 >LYS~A 58 46.48 -1.26 18.71 47.01 -6.34 18.98 46.74 -3.80 18.85 2 0 34.16 -999 ? O1 FMT A 174 >HIS~A 59 50.17 1.75 17.58 51.60 1.04 18.95 50.89 1.39 18.26 3 0 37.22 -999 ? O1 FMT A 174 >THR.A 60 44.47 4.14 16.86 42.67 4.08 18.25 43.57 4.11 17.55 2 0 33.58 -999 ? O1 FMT A 174 >ALA~A 61 45.84 7.76 17.49 46.53 8.28 18.80 46.18 8.02 18.15 2 0 37.59 -999 ? O1 FMT A 174 >ASN~A 62 46.96 11.24 14.25 45.21 11.51 13.09 46.09 11.38 13.67 2 0 34.62 -999 ? O1 FMT A 174 >ILE~A 63 50.91 10.99 17.48 50.51 11.79 17.62 50.71 11.39 17.55 3 0 40.44 -999 ? O1 FMT A 174 >ALA~A 64 50.67 6.39 17.40 49.58 5.71 18.28 50.13 6.05 17.84 2 0 37.82 -999 ? O1 FMT A 174 >ARG~A 65 47.05 3.71 11.47 47.46 0.69 10.93 47.25 2.20 11.20 2 0 29.62 -999 ? O1 FMT A 174 >LYS~A 66 52.34 7.32 12.03 54.08 9.90 7.62 53.21 8.61 9.82 2 0 36.30 -999 ? O1 FMT A 174 >ARG~A 67 57.57 5.82 16.12 60.39 6.14 14.88 58.98 5.98 15.50 2 0 43.16 -999 ? O1 FMT A 174 >HIS~A 68 53.15 0.53 14.80 53.37 -1.51 15.17 53.26 -0.49 14.99 3 0 36.06 -999 ? O1 FMT A 174 >ILE~A 69 53.17 3.17 9.31 52.69 3.77 8.59 52.93 3.47 8.95 3 0 33.30 -999 ? O1 FMT A 174 >LEU~A 70 57.94 5.95 10.73 57.64 7.81 9.79 57.79 6.88 10.26 3 0 39.01 -999 ? O1 FMT A 174 >PHE~A 71 58.85 0.67 14.70 59.61 -1.88 15.79 59.23 -0.61 15.24 3 0 40.66 -999 ? O1 FMT A 174 >ILE~A 72 56.04 -0.88 9.93 54.89 -1.71 9.83 55.46 -1.29 9.88 3 0 34.46 -999 ? O1 FMT A 174 >GLY~A 73 59.22 1.39 7.46 59.46 0.96 8.10 59.34 1.18 7.78 1 0 37.04 -999 ? O1 FMT A 174 >LYS~A 74 62.62 1.22 9.29 60.96 4.34 8.46 61.79 2.78 8.87 2 0 39.82 -999 ? O1 FMT A 174 >LEU~A 75 60.79 -2.85 10.76 60.94 -4.70 11.80 60.86 -3.78 11.28 3 0 39.30 -999 ? O1 FMT A 174 >MET?A 76 61.52 -3.26 6.27 58.42 -3.98 5.41 59.97 -3.62 5.84 2 0 34.38 -999 ? O1 FMT A 174 >ARG~A 77 66.39 1.10 5.82 67.17 3.11 8.07 66.78 2.11 6.94 2 0 44.68 -999 ? O1 FMT A 174 >ASP~A 78 65.63 -6.29 9.14 66.97 -5.21 10.41 66.30 -5.75 9.78 2 0 43.27 -999 ? O2 FMT A 175 >GLN~A 79 61.52 -7.02 6.20 61.63 -8.21 7.89 61.57 -7.61 7.04 2 0 36.69 -999 ? O2 FMT A 175 >ASP~A 80 64.20 -10.93 1.69 64.86 -11.65 -0.10 64.53 -11.29 0.79 2 0 35.02 -999 ? C FMT A 176 >GLN~A 81 62.89 -4.54 1.02 64.71 -3.45 1.05 63.80 -3.99 1.03 2 0 38.84 -999 ? O1 FMT A 174 >GLU~A 82 63.56 -8.70 -5.74 65.32 -9.03 -6.89 64.44 -8.87 -6.31 2 0 33.82 -999 ? C FMT A 176 >ALA~A 83 61.01 -11.63 -2.07 61.56 -12.45 -0.97 61.29 -12.04 -1.52 2 0 31.68 -999 ? C FMT A 176 >ILE~A 84 58.44 -8.70 0.68 58.10 -8.07 1.98 58.27 -8.38 1.33 3 0 31.28 -999 ? O2 FMT A 175 >LEU~A 85 58.44 -6.72 -4.22 58.44 -4.58 -3.83 58.44 -5.65 -4.03 3 0 31.23 -999 ? C FMT A 176 >VAL~A 86 57.54 -10.84 -5.70 58.92 -12.14 -6.66 58.23 -11.49 -6.18 3 0 27.10 -999 ? C FMT A 176 >LEU~A 87 55.20 -13.20 -2.12 56.39 -15.01 -2.77 55.79 -14.11 -2.44 3 0 25.88 -999 ? C FMT A 176 >LEU~A 88 53.06 -8.12 -2.83 52.41 -7.28 -0.97 52.73 -7.70 -1.90 3 0 26.00 -999 ? O2 FMT A 175 >ASP~A 89 54.15 -9.18 -8.18 53.50 -9.22 -10.26 53.82 -9.20 -9.22 2 0 23.36 -999 ? C FMT A 176 >GLN~A 90 53.62 -14.56 -7.46 54.84 -15.93 -6.29 54.23 -15.24 -6.88 2 0 22.48 -999 ? C FMT A 176 >LEU~A 91 48.84 -11.65 -3.52 47.39 -11.67 -1.77 48.12 -11.66 -2.65 3 0 20.03 -999 ? O2 FMT A 175 >ASP~A 92 48.45 -7.46 -6.99 48.53 -6.77 -4.97 48.49 -7.11 -5.98 2 0 21.45 -999 ? O1 FMT A 174 >ALA~A 93 48.14 -10.79 -10.33 49.51 -11.51 -10.76 48.83 -11.15 -10.55 2 0 18.94 -999 ? C FMT A 176 >SER~A 94 45.82 -13.49 -9.13 45.45 -14.29 -6.96 45.63 -13.89 -8.04 2 0 15.65 -999 ? O2 FMT A 175 >THR~A 95 43.34 -10.82 -8.09 43.52 -9.43 -6.38 43.43 -10.12 -7.23 2 0 16.24 -999 ? O1 FMT A 174 >ARG~A 96 46.88 -7.05 -12.28 49.48 -7.02 -10.60 48.18 -7.03 -11.44 2 0 20.74 -999 ? C4 PEG A 177 >GLN~A 97 45.14 -13.44 -14.02 47.07 -13.14 -13.05 46.10 -13.29 -13.53 2 0 15.54 -999 ? C FMT A 176 >TYR~A 98 38.55 -12.80 -8.86 35.99 -13.04 -7.80 37.27 -12.92 -8.34 3 0 10.02 -999 ? O2 FMT A 175 >ASN~A 99 39.44 -8.04 -11.63 39.55 -7.84 -9.53 39.49 -7.94 -10.58 2 0 12.05 -999 ? O2 FMT A 174 >GLU~A 100 41.90 -9.49 -16.18 43.86 -10.09 -17.17 42.88 -9.79 -16.67 2 0 11.75 -999 ? C4 PEG A 177 >ARG~A 101 39.00 -16.21 -14.42 38.67 -18.83 -12.88 38.83 -17.52 -13.65 2 0 6.72 -999 ? O2 FMT A 176 >PHE~A 102 33.54 -10.18 -11.15 31.30 -9.31 -9.58 32.42 -9.74 -10.36 3 0 5.11 -999 ? C FMT A 174 >HIS~A 103 35.22 -6.46 -14.60 35.44 -5.32 -12.85 35.33 -5.89 -13.72 3 0 8.30 -999 ? O2 FMT A 174 >ASN~A 104 35.06 -12.01 -19.02 34.43 -13.28 -20.72 34.74 -12.64 -19.87 2 0 -3.09 -999 ? C4 PEG A 177s >LEU~A 105 31.24 -13.42 -15.66 32.09 -15.44 -15.82 31.66 -14.43 -15.74 3 0 8.20 -999 ? O2 PEG A 177 >GLU~A 106 30.43 -7.44 -15.33 30.95 -6.29 -13.59 30.69 -6.86 -14.46 2 0 -4.32 -999 ? O2 FMT A 174s >ARG~A 107 32.48 -6.37 -21.24 35.08 -7.16 -19.82 33.78 -6.77 -20.53 2 0 -5.14 -999 ? O2 PEG A 177s >TRP~A 108 31.06 -14.33 -21.75 29.41 -14.60 -25.34 30.24 -14.47 -23.54 3 0 -4.03 -999 ? C1 PEG A 177s >ARG~A 109 24.40 -10.07 -15.09 26.17 -7.77 -14.09 25.28 -8.92 -14.59 2 0 -3.22 -999 ? O2 FMT A 174s >ASP~A 110 25.17 -6.99 -19.79 25.21 -6.55 -17.70 25.19 -6.77 -18.75 2 0 7.00 -999 ? O2 FMT A 174 >ARG~A 111 27.44 -10.86 -26.00 28.74 -11.94 -28.55 28.09 -11.40 -27.27 2 0 -4.31 -999 ? O1 PEG A 177s >LEU~A 112 22.91 -13.65 -22.27 24.26 -15.38 -22.53 23.58 -14.52 -22.40 3 0 8.73 -999 ? O1 PEG A 177 >ILE~A 113 19.82 -9.75 -20.16 19.35 -9.55 -18.81 19.58 -9.65 -19.48 3 0 11.69 -999 ? O2 FMT A 174 >ALA~A 114 20.00 -7.73 -24.16 20.99 -6.50 -24.22 20.49 -7.12 -24.19 2 0 10.03 -999 ? O1 PEG A 177 >GLY~A 115 20.38 -10.05 -27.18 19.80 -10.39 -26.64 20.09 -10.22 -26.91 1 0 10.22 -999 ? O1 PEG A 177 >ASP~A 116 18.27 -12.70 -29.95 19.69 -12.41 -31.48 18.98 -12.55 -30.71 2 0 12.69 -999 ? O1 PEG A 177 >ASP~A 117 18.71 -17.67 -30.43 18.68 -19.55 -29.48 18.69 -18.61 -29.95 2 0 15.82 -999 ? O1 PEG A 177 >ALA~A 118 22.80 -15.75 -31.66 22.91 -14.62 -32.69 22.85 -15.19 -32.18 2 0 11.64 -999 ? O1 PEG A 177 >ASP~A 119 23.95 -13.44 -27.62 23.92 -11.77 -28.82 23.93 -12.61 -28.22 2 0 7.68 -999 ? O1 PEG A 177 >LEU~A 120 21.87 -18.37 -26.54 21.66 -20.03 -25.08 21.77 -19.20 -25.81 3 0 12.76 -999 ? O1 PEG A 177 >GLU~A 121 23.47 -20.47 -31.08 23.01 -22.26 -29.87 23.24 -21.36 -30.48 2 0 15.09 -999 ? C1 PEG A 177 >LYS~A 122 28.30 -17.74 -28.93 30.33 -16.15 -33.80 29.31 -16.94 -31.37 2 0 10.14 -999 ? O4 PEG A 177 >PHE~A 123 27.36 -18.11 -22.75 28.00 -18.90 -20.15 27.68 -18.50 -21.45 3 0 8.93 -999 ? O4 PEG A 177 >VAL~A 124 27.74 -21.97 -25.35 25.89 -23.13 -25.42 26.82 -22.55 -25.38 3 0 11.64 -999 ? O4 PEG A 177 >ILE~A 125 30.95 -21.75 -29.33 31.44 -21.43 -30.19 31.19 -21.59 -29.76 3 0 9.79 -999 ? O4 PEG A 177 >GLU~A 126 33.17 -18.08 -25.75 34.94 -18.65 -26.89 34.06 -18.36 -26.32 2 0 5.29 -999 ? O4 PEG A 177 >TYR~A 127 31.30 -20.95 -20.60 32.94 -18.93 -19.47 32.12 -19.94 -20.03 3 0 5.76 -999 ? O2 FMT A 176 >PRO~A 128 32.36 -26.44 -24.50 30.38 -25.56 -23.97 31.37 -26.00 -24.23 3 0 8.86 -999 ? O2 FMT A 176 >ASP~A 129 29.91 -28.16 -19.91 31.33 -29.73 -20.56 30.62 -28.95 -20.23 2 0 7.83 -999 ? O1 FMT A 176 >ALA~A 130 26.26 -25.01 -20.40 26.12 -23.73 -21.18 26.19 -24.37 -20.79 2 0 10.57 -999 ? O2 FMT A 176 >ASP~A 131 22.06 -26.63 -18.59 20.10 -27.49 -18.71 21.08 -27.06 -18.65 2 0 16.41 -999 ? O2 FMT A 176 >ARG~A 132 21.56 -24.77 -26.82 24.40 -25.49 -27.78 22.98 -25.13 -27.30 2 0 15.71 -999 ? O4 PEG A 177 >GLN~A 133 16.47 -26.98 -23.32 14.59 -25.97 -23.92 15.53 -26.48 -23.62 2 0 22.50 -999 ? O2 FMT A 176 >GLN~A 134 19.52 -23.52 -16.11 20.61 -24.57 -14.52 20.06 -24.05 -15.31 2 0 12.87 -999 ? O2 FMT A 175 >LEU~A 135 21.42 -20.74 -20.35 23.11 -19.49 -19.68 22.27 -20.11 -20.02 3 0 13.85 -999 ? C1 PEG A 177 >ARG~A 136 16.63 -21.80 -25.68 14.14 -20.50 -26.99 15.38 -21.15 -26.33 2 0 -19.53 -999 ? O1 PEG A 177s >SER~A 137 14.70 -20.28 -19.59 13.65 -21.31 -17.79 14.17 -20.80 -18.69 2 0 20.06 -999 ? O2 FMT A 175 >LEU~A 138 18.27 -18.18 -16.88 18.67 -19.02 -14.76 18.47 -18.60 -15.82 3 0 14.58 -999 ? C FMT A 174 >ILE~A 139 18.03 -15.68 -21.57 19.07 -15.58 -22.42 18.55 -15.63 -21.99 3 0 13.57 -999 ? O1 PEG A 177 >ARG~A 140 10.76 -17.91 -21.91 12.11 -20.58 -22.47 11.43 -19.25 -22.19 2 0 -21.39 -999 ? O1 PEG A 177s >GLN~A 141 11.94 -17.03 -16.42 12.60 -18.72 -15.19 12.27 -17.88 -15.80 2 0 18.66 -999 ? C FMT A 174 >ALA~A 142 15.21 -11.86 -17.13 16.72 -12.05 -17.08 15.96 -11.95 -17.10 2 0 13.13 -999 ? O2 FMT A 174 >GLN~A 143 15.66 -11.37 -22.27 15.86 -12.22 -24.28 15.76 -11.79 -23.27 2 0 14.76 -999 ? O1 PEG A 177 >HIS~A 144 8.54 -11.33 -18.05 6.75 -10.98 -17.01 7.64 -11.16 -17.53 3 0 21.24 -999 ? O2 FMT A 174 >GLU~A 145 12.14 -10.58 -14.19 13.77 -11.35 -13.11 12.95 -10.96 -13.65 2 0 14.25 -999 ? C FMT A 174 >VAL~A 146 13.45 -6.07 -17.93 15.18 -5.66 -19.32 14.32 -5.87 -18.62 3 0 15.33 -999 ? O2 FMT A 174 >ALA~A 147 10.51 -5.44 -20.23 9.98 -6.46 -21.29 10.24 -5.95 -20.76 2 0 20.35 -999 ? O2 FMT A 174 >ARG~A 148 4.94 -7.15 -18.11 3.07 -9.61 -17.80 4.00 -8.38 -17.95 2 0 25.49 -999 ? O2 FMT A 174 >ASN~A 149 9.69 -1.91 -15.42 10.65 -0.44 -14.11 10.17 -1.18 -14.77 2 0 18.67 -999 ? O2 FMT A 174 >LYS~A 150 10.40 -5.89 -12.34 6.45 -10.45 -13.59 8.43 -8.17 -12.97 2 0 21.36 -999 ? C FMT A 174 >PRO~A 151 11.44 -6.71 -8.14 12.59 -6.08 -10.05 12.02 -6.40 -9.09 3 0 15.63 -999 ? C FMT A 174 >PRO~A 152 17.24 -5.76 -11.60 15.52 -7.26 -11.52 16.38 -6.51 -11.56 3 0 11.30 -999 ? O2 FMT A 174 >ALA~A 153 16.27 -11.00 -9.86 15.17 -11.61 -8.92 15.72 -11.31 -9.39 2 0 12.73 -999 ? C FMT A 174 >THR~A 154 16.81 -13.43 -12.67 15.47 -14.73 -13.80 16.14 -14.08 -13.23 2 0 13.94 -999 ? C FMT A 174 >SER~A 155 19.81 -11.48 -13.97 19.82 -9.22 -13.24 19.81 -10.35 -13.60 2 0 8.21 -999 ? O2 FMT A 174 >ARG~A 156 20.90 -10.04 -7.22 20.67 -7.48 -5.33 20.79 -8.76 -6.28 2 0 7.82 -999 ? O1 FMT A 174 >LYS~A 157 20.67 -15.87 -11.19 14.43 -16.61 -10.33 17.55 -16.24 -10.76 2 0 15.32 -999 ? C FMT A 174 >ILE~A 158 21.81 -14.91 -15.86 21.31 -14.74 -17.13 21.56 -14.82 -16.49 3 0 10.62 -999 ? C FMT A 174 >PHE~A 159 26.92 -12.38 -12.27 29.60 -11.66 -11.97 28.26 -12.02 -12.12 3 0 -4.02 -999 ? C FMT A 174s >LYS~A 160 25.45 -16.84 -10.59 23.78 -19.75 -6.08 24.62 -18.30 -8.34 2 0 7.79 -999 ? O1 FMT A 175 >TYR~A 161 23.82 -21.26 -14.80 24.13 -23.57 -16.35 23.98 -22.41 -15.57 3 0 10.37 -999 ? O2 FMT A 175 >ILE~A 162 27.54 -17.43 -16.55 26.87 -16.28 -17.21 27.20 -16.86 -16.88 3 0 10.17 -999 ? C2 PEG A 177 >ARG~A 163 30.03 -15.29 -9.70 32.00 -14.53 -7.50 31.02 -14.91 -8.60 2 0 6.61 -999 ? O2 FMT A 175 >GLU~A 164 27.84 -22.33 -10.08 25.81 -22.69 -9.75 26.83 -22.51 -9.91 2 0 5.82 -999 ? O1 FMT A 175 >LEU~A 165 29.59 -22.25 -16.75 27.66 -23.11 -17.39 28.62 -22.68 -17.07 3 0 -7.26 -999 ? O2 FMT A 176s >ASP~A 166 33.53 -18.89 -15.18 35.30 -18.02 -15.79 34.41 -18.46 -15.49 2 0 5.39 -999 ? O2 FMT A 176 >GLU~A 167 35.33 -23.68 -13.20 34.70 -25.59 -12.86 35.01 -24.64 -13.03 2 0 -4.28 -999 ? O1 FMT A 176s >LEU~A 168 34.24 -16.95 -11.28 35.53 -15.23 -11.27 34.88 -16.09 -11.27 3 0 -6.67 -999 ? O2 FMT A 175s >GLN~A 169 37.14 -18.48 -5.87 38.76 -17.82 -7.13 37.95 -18.15 -6.50 2 0 8.14 -999 ? O2 FMT A 175