REMARK SOURCE hebe.pdb HEADER METAL BINDING PROTEIN 15-APR-08 3CU3 COMPND DOMAIN OF UNKNOWN FUNCTION WITH A CYSTATIN-LIKE FOL COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NOSTOC PUNCTIFORME; SOURCE 3 ORGANISM_TAXID: 63737; SOURCE 4 STRAIN: PCC 73102; SOURCE 5 GENE: ZP_00107529.1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 10 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 24 8 HET MSE A 94 8 HET MG A 172 1 HET EDO A 173 4 HET EDO A 174 8 HET EDO A 175 4 HET EDO A 176 4 HET PEG A 177 7 SITE 1 AC1 6 HOH A 194 HOH A 227 HOH A 245 HOH A 260 SITE 1 AC2 5 GLN A 105 SER A 109 ASP A 150 HOH A 207 SITE 1 AC3 5 TRP A 28 PHE A 68 LYS A 73 GLY A 74 SITE 1 AC4 2 GLN A 90 GLY A 123 SITE 1 AC5 5 GLU A 141 ARG A 142 PHE A 145 PHE A 149 SITE 1 AC6 3 ASN A 88 GLN A 90 THR A 121 >THR.A 9 10.89 10.22 -23.12 10.47 11.12 -25.08 10.68 10.67 -24.10 2 0 11.33 -999 ? O2 EDO A 175 >THR~A 10 12.23 6.82 -23.94 10.81 5.64 -22.83 11.52 6.23 -23.38 2 0 11.33 -999 ? O2 EDO A 175 >THR~A 11 13.66 4.76 -26.73 15.49 3.64 -26.96 14.57 4.20 -26.84 2 0 17.49 -999 ? O2 EDO A 175 >ALA~A 12 10.42 2.78 -26.27 9.91 2.26 -24.90 10.16 2.52 -25.59 2 0 12.77 -999 ? O2 EDO A 175 >ASP~A 13 8.51 7.23 -26.35 7.74 7.32 -24.40 8.12 7.28 -25.38 2 0 8.71 -999 ? O2 EDO A 175 >GLU~A 14 12.09 7.32 -31.67 13.92 8.33 -31.80 13.01 7.82 -31.73 2 0 17.26 -999 ? O1 PEG A 177 >SER~A 15 10.14 2.92 -31.36 10.44 0.49 -31.15 10.29 1.71 -31.26 2 0 17.36 -999 ? O2 EDO A 175 >ALA~A 16 6.30 2.89 -30.85 5.56 3.18 -29.58 5.93 3.03 -30.21 2 0 12.45 -999 ? O2 EDO A 175 >ILE~A 17 6.26 7.43 -32.66 6.15 8.69 -32.18 6.21 8.06 -32.42 3 0 13.71 -999 ? O2 EDO A 175 >ARG~A 18 11.79 5.31 -35.21 13.73 7.29 -36.51 12.76 6.30 -35.86 2 0 20.28 -999 ? O1 PEG A 177 >ALA~A 19 6.27 1.42 -35.80 6.11 0.45 -34.59 6.19 0.93 -35.19 2 0 17.97 -999 ? O2 EDO A 175 >PHE~A 20 2.13 4.60 -34.88 1.24 4.82 -32.26 1.68 4.71 -33.57 3 0 14.37 -999 ? O2 EDO A 175 >HIS~A 21 6.88 4.26 -41.03 8.78 3.41 -41.35 7.83 3.84 -41.19 3 0 16.89 -999 ? C2 AEDO A 174 >ARG~A 22 8.24 -0.09 -41.79 7.83 -1.19 -44.63 8.03 -0.64 -43.21 2 0 13.21 -999 ? C2 AEDO A 174 >GLN~A 23 -0.14 -0.97 -37.82 -0.63 -3.04 -37.54 -0.38 -2.00 -37.68 2 0 14.09 -999 ? O1 AEDO A 174 >MET?A 24 0.25 1.06 -42.00 -0.48 4.95 -40.27 -0.12 3.01 -41.13 2 0 13.44 -999 ? O1 AEDO A 174 >ILE~A 25 4.02 0.51 -45.09 5.16 1.07 -45.74 4.59 0.79 -45.41 3 0 10.86 -999 ? C2 AEDO A 174 >ASP~A 26 2.73 -4.22 -43.09 4.86 -4.28 -43.08 3.80 -4.25 -43.08 2 0 11.66 -999 ? C2 AEDO A 174 >ALA~A 27 -1.65 -3.33 -43.73 -2.40 -2.59 -42.59 -2.02 -2.96 -43.16 2 0 8.73 -999 ? O1 AEDO A 174 >TRP~A 28 -1.41 -0.21 -49.93 -3.18 3.27 -50.05 -2.29 1.53 -49.99 3 0 -4.35 -999 ? O1 AEDO A 174s >ASN~A 29 1.43 -4.15 -48.62 2.43 -2.47 -49.34 1.93 -3.31 -48.98 2 0 6.11 -999 ? C2 AEDO A 174 >ARG~A 30 -1.98 -8.04 -43.70 -1.37 -6.14 -41.44 -1.67 -7.09 -42.57 2 0 10.54 -999 ? C2 AEDO A 174 >GLY.A 31 -5.41 -4.86 -47.99 -5.14 -5.06 -47.26 -5.28 -4.96 -47.62 1 0 3.74 -999 ? C1 BEDO A 174 >SER~A 32 -6.40 -4.49 -44.36 -6.41 -5.14 -42.03 -6.41 -4.82 -43.20 2 0 9.66 -999 ? O1 AEDO A 174 >GLY~A 33 -8.44 -1.45 -43.43 -8.15 -2.04 -42.92 -8.30 -1.75 -43.18 1 0 8.47 -999 ? O1 AEDO A 174 >GLU~A 34 -10.67 -3.13 -39.01 -11.85 -4.42 -37.91 -11.26 -3.78 -38.46 2 0 15.13 -999 ? O1 AEDO A 174 >GLY~A 35 -4.74 -2.87 -39.76 -5.20 -2.20 -40.00 -4.97 -2.53 -39.88 1 0 11.28 -999 ? O1 AEDO A 174 >PHE~A 36 -4.27 2.08 -43.37 -3.47 4.53 -44.39 -3.87 3.31 -43.88 3 0 8.91 -999 ? O1 AEDO A 174 >ALA~A 37 -6.47 2.35 -38.88 -8.03 2.21 -38.94 -7.25 2.28 -38.91 2 0 13.20 -999 ? O1 AEDO A 174 >ALA~A 38 -5.11 0.57 -35.79 -4.32 -0.78 -35.76 -4.72 -0.11 -35.78 2 0 15.29 -999 ? O1 AEDO A 174 >PRO.A 39 -1.34 2.72 -36.67 -2.99 2.78 -35.14 -2.16 2.75 -35.91 3 0 16.01 -999 ? O1 AEDO A 174 >PHE^A 40 -5.36 6.62 -37.17 -3.93 7.28 -39.47 -4.64 6.95 -38.32 3 0 15.51 -999 ? O1 AEDO A 174 >SER^A 41 -7.31 7.20 -31.80 -7.72 9.57 -31.76 -7.51 8.39 -31.78 2 0 13.66 -999 ? O1 EDO A 175 >GLU^A 42 -11.76 5.19 -30.33 -12.93 4.53 -28.71 -12.35 4.86 -29.52 2 0 15.51 -999 ? O1 EDO A 175 >THR^A 43 -11.12 10.93 -32.30 -10.83 11.67 -30.25 -10.98 11.30 -31.27 2 0 13.85 -999 ? O1 EDO A 175 >ALA^A 44 -8.34 11.26 -34.90 -7.32 10.16 -35.27 -7.83 10.71 -35.08 2 0 15.61 -999 ? O4 PEG A 177 >ASP^A 45 -8.33 15.03 -37.88 -9.80 15.95 -36.68 -9.07 15.49 -37.28 2 0 15.78 -999 ? C4 PEG A 177 >PHE^A 46 -6.65 9.77 -42.42 -5.03 8.54 -44.33 -5.84 9.16 -43.37 3 0 13.55 -999 ? O1 AEDO A 174 >ILE^A 47 -6.91 15.72 -44.00 -6.96 16.56 -43.37 -6.93 16.14 -43.69 3 0 19.67 -999 ? O1 AEDO A 174 >THR.A 48 -6.67 12.63 -47.63 -8.59 11.82 -48.25 -7.63 12.23 -47.94 2 0 14.61 -999 ? O1 AEDO A 174 >PHE.A 49 -4.84 12.75 -52.67 -6.40 11.62 -54.65 -5.62 12.19 -53.66 3 0 14.45 -999 ? O1 AEDO A 174 >GLU.A 50 -10.09 14.21 -52.72 -9.92 12.55 -51.47 -10.01 13.38 -52.09 2 0 15.46 -999 ? O1 AEDO A 174 >GLY.A 51 -9.45 16.94 -48.89 -9.64 16.18 -49.07 -9.55 16.56 -48.98 1 0 19.63 -999 ? O1 AEDO A 174 >THR.A 52 -11.57 14.02 -47.59 -12.47 12.22 -48.41 -12.02 13.12 -48.00 2 0 16.42 -999 ? O1 AEDO A 174 >HIS^A 53 -12.32 15.44 -41.69 -12.37 15.60 -39.59 -12.35 15.52 -40.64 3 0 20.38 -999 ? C4 PEG A 177 >LEU^A 54 -11.37 9.65 -42.24 -11.36 8.74 -44.21 -11.37 9.20 -43.22 3 0 15.18 -999 ? O1 AEDO A 174 >GLY~A 56 -11.72 8.31 -35.88 -11.57 8.25 -36.64 -11.64 8.28 -36.26 1 0 19.23 -999 ? O1 EDO A 175 >ARG~A 57 -8.94 1.82 -34.13 -9.13 2.89 -31.28 -9.03 2.36 -32.70 2 0 15.77 -999 ? C1 EDO A 175 >GLU~A 59 -15.85 7.55 -39.65 -16.32 9.62 -40.02 -16.08 8.58 -39.83 2 0 19.77 -999 ? O1 AEDO A 174 >ILE~A 60 -9.28 5.83 -40.32 -8.20 6.56 -39.89 -8.74 6.20 -40.10 3 0 14.22 -999 ? O1 AEDO A 174 >ALA~A 61 -10.76 1.66 -41.29 -10.99 0.68 -40.10 -10.88 1.17 -40.70 2 0 12.88 -999 ? O1 AEDO A 174 >ALA~A 62 -14.09 1.65 -43.22 -15.46 2.21 -42.64 -14.77 1.93 -42.93 2 0 14.28 -999 ? O1 AEDO A 174 >PHE~A 63 -11.92 6.30 -46.65 -10.91 7.74 -48.78 -11.41 7.02 -47.72 3 0 11.72 -999 ? O1 AEDO A 174 >HIS~A 64 -7.76 3.74 -45.49 -7.15 5.74 -45.40 -7.46 4.74 -45.45 3 0 9.16 -999 ? O1 AEDO A 174 >GLN~A 65 -12.21 -3.35 -46.03 -10.38 -4.44 -46.10 -11.30 -3.90 -46.06 2 0 7.82 -999 ? C1 BEDO A 174 >GLN~A 66 -15.13 1.55 -50.48 -16.66 3.00 -50.20 -15.89 2.28 -50.34 2 0 13.02 -999 ? O1 AEDO A 174 >ALA~A 67 -10.53 1.68 -51.12 -9.66 2.82 -50.53 -10.10 2.25 -50.82 2 0 6.95 -999 ? O1 AEDO A 174 >PHE~A 68 -7.01 -1.19 -48.66 -5.47 0.35 -46.87 -6.24 -0.42 -47.76 3 0 -3.92 -999 ? O1 AEDO A 174s >ASP~A 69 -12.45 -3.70 -51.62 -12.05 -4.88 -49.91 -12.25 -4.29 -50.76 2 0 6.98 -999 ? O1 BEDO A 174 >THR~A 70 -11.67 -0.88 -55.27 -13.53 -0.07 -54.40 -12.60 -0.48 -54.83 2 0 8.99 -999 ? O1 BEDO A 174 >VAL.A 71 -9.79 2.29 -56.29 -11.04 3.95 -55.48 -10.42 3.12 -55.89 3 0 9.11 -999 ? O1 AEDO A 174 >VAL.A 72 -6.33 1.27 -54.93 -6.07 2.60 -53.18 -6.20 1.93 -54.05 3 0 5.20 -999 ? O1 AEDO A 174 >LYS.A 73 -6.69 -2.50 -55.24 -8.03 -7.34 -54.53 -7.36 -4.92 -54.89 2 0 -4.68 -999 ? O1 BEDO A 174s >GLY.A 74 -3.37 -4.00 -56.26 -3.39 -3.30 -55.88 -3.38 -3.65 -56.07 1 0 -3.18 -999 ? O2 BEDO A 174s >THR.A 75 -1.34 -0.90 -55.42 -2.53 0.85 -55.03 -1.94 -0.03 -55.23 2 0 -4.83 -999 ? C2 BEDO A 174s >ARG^A 76 4.52 -3.81 -53.13 4.97 -5.54 -50.62 4.75 -4.67 -51.87 2 0 8.00 -999 ? O2 AEDO A 174 >LEU^A 77 2.39 1.72 -49.39 0.92 3.23 -49.10 1.65 2.48 -49.25 3 0 7.92 -999 ? O1 AEDO A 174 >GLU^A 78 7.72 2.56 -51.95 9.23 2.08 -53.37 8.48 2.32 -52.66 2 0 11.00 -999 ? C2 EDO A 173 >GLY^A 79 7.99 4.36 -47.33 8.41 3.69 -47.20 8.20 4.02 -47.26 1 0 14.40 -999 ? C2 BEDO A 174 >GLU^A 80 12.24 6.52 -45.95 14.05 6.08 -46.96 13.14 6.30 -46.46 2 0 18.58 -999 ? C2 EDO A 173 >VAL^A 81 10.70 7.97 -41.82 10.73 7.89 -39.62 10.72 7.93 -40.72 3 0 20.98 -999 ? O1 AEDO A 174 >ASP^A 82 10.87 12.46 -43.58 11.94 14.15 -44.24 11.41 13.30 -43.91 2 0 20.73 -999 ? O1 EDO A 176 >PHE^A 83 11.35 15.34 -39.08 9.28 17.20 -39.06 10.31 16.27 -39.07 3 0 15.99 -999 ? O1 PEG A 177 >VAL^A 84 10.51 12.22 -35.73 9.97 10.27 -34.84 10.24 11.25 -35.28 3 0 15.51 -999 ? O1 PEG A 177 >ARG^A 85 11.40 18.81 -33.16 8.97 20.59 -32.50 10.18 19.70 -32.83 2 0 8.53 -999 ? O1 PEG A 177 >PHE^A 86 9.70 12.89 -28.55 9.64 10.16 -28.95 9.67 11.52 -28.75 3 0 11.65 -999 ? O1 PEG A 177 >VAL^A 87 7.55 18.37 -28.76 5.88 19.46 -29.68 6.72 18.92 -29.22 3 0 5.33 -999 ? O1 PEG A 177 >ASN^A 88 6.25 17.93 -24.35 4.24 17.73 -24.93 5.25 17.83 -24.64 2 0 -3.61 -999 ? O4 PEG A 177s >SER.A 89 6.91 13.80 -23.38 6.05 14.04 -21.16 6.48 13.92 -22.27 2 0 7.37 -999 ? O2 EDO A 175 >GLN.A 90 2.51 13.21 -22.21 0.89 13.76 -20.91 1.70 13.49 -21.56 2 0 4.44 -999 ? C2 EDO A 175s >LEU^A 91 2.86 16.28 -27.99 1.86 17.57 -29.47 2.36 16.92 -28.73 3 0 4.38 -999 ? O4 PEG A 177 >ALA^A 92 5.42 14.01 -31.20 6.11 12.59 -31.16 5.76 13.30 -31.18 2 0 10.17 -999 ? O4 PEG A 177 >LEU^A 93 5.78 16.42 -35.31 4.45 18.14 -35.02 5.12 17.28 -35.16 3 0 10.86 -999 ? C4 PEG A 177 >MET?A 94 6.52 12.51 -37.47 7.07 8.17 -37.53 6.80 10.34 -37.50 2 0 17.51 -999 ? O4 PEG A 177 >LEU^A 95 7.74 14.38 -41.68 7.36 15.66 -43.38 7.55 15.02 -42.53 3 0 18.91 -999 ? C4 PEG A 177 >VAL^A 96 7.05 10.09 -43.43 6.20 8.14 -42.63 6.62 9.12 -43.03 3 0 17.72 -999 ? O1 AEDO A 174 >VAL^A 97 7.93 9.61 -47.11 9.82 10.09 -48.18 8.87 9.85 -47.65 3 0 16.85 -999 ? C2 EDO A 173 >ILE^A 98 3.98 7.38 -48.46 3.74 6.03 -47.89 3.86 6.70 -48.18 3 0 12.49 -999 ? O1 AEDO A 174 >ARG^A 99 9.07 7.20 -53.77 10.46 9.70 -52.63 9.76 8.45 -53.20 2 0 12.85 -999 ? C2 EDO A 173 >VAL^A 100 3.04 4.12 -54.52 0.89 4.53 -54.05 1.96 4.33 -54.29 3 0 8.80 -999 ? O1 EDO A 173 >ILE^A 101 4.27 0.16 -57.09 5.45 -0.64 -57.39 4.86 -0.24 -57.24 3 0 7.35 -999 ? O1 EDO A 173 >LEU.A 102 -0.13 2.28 -60.35 -0.82 4.28 -59.81 -0.47 3.28 -60.08 3 0 4.59 -999 ? O1 EDO A 173 >PRO.A 103 -3.20 -1.27 -60.09 -0.94 -1.52 -60.03 -2.07 -1.40 -60.06 3 0 7.38 -999 ? O2 BEDO A 174 >GLY.A 104 0.88 -3.90 -63.07 1.27 -3.39 -62.54 1.07 -3.64 -62.80 1 0 8.09 -999 ? O1 EDO A 173 >GLN.A 105 2.49 0.50 -63.13 2.94 0.50 -65.21 2.71 0.50 -64.17 2 0 -4.05 -999 ? O1 EDO A 173s >THR.A 106 7.26 -2.16 -61.18 8.30 -3.13 -62.82 7.78 -2.64 -62.00 2 0 7.57 -999 ? O2 EDO A 173 >THR.A 108 6.52 4.12 -58.26 7.85 4.52 -56.59 7.18 4.32 -57.43 2 0 7.18 -999 ? C2 EDO A 173 >SER~A 109 4.31 6.74 -59.86 2.27 7.53 -60.99 3.29 7.14 -60.42 2 0 -3.78 -999 ? C1 EDO A 173s >ALA~A 110 5.48 10.27 -59.09 6.30 11.11 -60.05 5.89 10.69 -59.57 2 0 7.03 -999 ? O1 EDO A 176 >SER~A 111 1.84 11.35 -59.22 0.69 9.46 -60.20 1.26 10.41 -59.71 2 0 6.27 -999 ? C1 EDO A 173 >ARG~A 112 -1.34 8.31 -56.72 -3.49 6.28 -57.56 -2.41 7.29 -57.14 2 0 8.80 -999 ? O1 EDO A 173 >ASP~A 113 5.59 11.60 -54.56 6.88 10.48 -55.77 6.24 11.04 -55.16 2 0 9.60 -999 ? C2 EDO A 173 >SER.A 114 3.38 11.82 -50.53 2.41 10.13 -49.08 2.89 10.97 -49.81 2 0 14.15 -999 ? O1 AEDO A 174 >LEU.A 115 5.74 14.54 -47.70 7.81 14.90 -47.12 6.77 14.72 -47.41 3 0 16.74 -999 ? O1 EDO A 176 >PRO.A 116 2.68 10.36 -44.94 2.80 12.58 -45.17 2.74 11.47 -45.06 3 0 16.46 -999 ? O1 AEDO A 174 >LEU^A 117 2.49 15.98 -41.05 3.35 17.13 -39.40 2.92 16.55 -40.23 3 0 15.16 -999 ? C4 PEG A 177 >TYR^A 118 2.26 9.93 -38.97 2.31 7.77 -40.78 2.28 8.85 -39.88 3 0 17.01 -999 ? O1 AEDO A 174 >VAL^A 119 0.56 14.14 -34.98 -0.38 16.08 -34.83 0.09 15.11 -34.90 3 0 10.50 -999 ? O4 PEG A 177 >VAL^A 120 1.02 11.59 -32.18 2.11 9.79 -32.80 1.57 10.69 -32.49 3 0 10.99 -999 ? O4 PEG A 177 >THR^A 121 -0.08 11.97 -28.59 -2.07 12.71 -28.92 -1.07 12.34 -28.76 2 0 -7.72 -999 ? O4 PEG A 177s >LYS^A 122 0.59 9.86 -25.50 5.22 6.69 -22.51 2.90 8.28 -24.00 2 0 5.97 -999 ? O2 EDO A 175 >GLY^A 123 -2.62 9.69 -23.59 -2.10 9.04 -23.55 -2.36 9.36 -23.57 1 0 -4.55 -999 ? C1 EDO A 175s >ASP.A 124 -5.64 7.54 -20.62 -6.11 6.51 -18.89 -5.88 7.03 -19.75 2 0 5.42 -999 ? C1 EDO A 175 >GLU.A 125 -6.36 4.15 -23.59 -8.12 4.18 -24.78 -7.24 4.17 -24.19 2 0 10.16 -999 ? C1 EDO A 175 >GLY^A 126 -0.37 5.32 -24.65 -1.05 5.68 -25.01 -0.71 5.50 -24.83 1 0 6.19 -999 ? O2 EDO A 175 >TRP^A 127 4.08 6.27 -27.14 4.50 10.13 -27.45 4.29 8.20 -27.29 3 0 8.28 -999 ? O2 EDO A 175 >GLN^A 128 -3.68 5.84 -29.45 -5.77 5.76 -28.96 -4.73 5.80 -29.21 2 0 11.34 -999 ? C1 EDO A 175 >ILE^A 129 -2.06 8.56 -35.44 -1.44 8.40 -36.72 -1.75 8.48 -36.08 3 0 15.27 -999 ? O4 PEG A 177 >GLU^A 130 -5.28 13.63 -31.67 -6.95 12.42 -31.22 -6.12 13.03 -31.44 2 0 11.74 -999 ? O4 PEG A 177 >GLY^A 131 -3.97 13.76 -36.73 -3.40 13.15 -36.63 -3.69 13.45 -36.68 1 0 13.55 -999 ? O4 PEG A 177 >LEU^A 132 -2.64 11.40 -40.42 -1.62 10.25 -41.93 -2.13 10.82 -41.18 3 0 16.33 -999 ? O1 AEDO A 174 >LEU^A 133 -2.09 16.66 -43.17 -2.70 18.01 -44.79 -2.39 17.34 -43.98 3 0 18.78 -999 ? C4 PEG A 177 >ASN.A 134 -2.29 11.69 -46.45 -1.12 10.53 -47.79 -1.70 11.11 -47.12 2 0 13.39 -999 ? O1 AEDO A 174 >THR.A 135 -0.74 15.15 -49.22 -0.60 17.02 -48.33 -0.67 16.09 -48.77 2 0 17.11 -999 ? O1 EDO A 176 >ARG.A 136 -0.19 12.66 -54.03 -2.09 10.51 -53.04 -1.14 11.58 -53.54 2 0 12.91 -999 ? O1 AEDO A 174 >LYS.A 137 4.55 16.14 -52.64 10.06 14.84 -52.23 7.31 15.49 -52.44 2 0 12.53 -999 ? O1 EDO A 176 >LEU.A 138 4.37 19.20 -56.36 2.45 18.90 -57.20 3.41 19.05 -56.78 3 0 8.04 -999 ? O1 EDO A 176 >THR~A 139 8.64 18.70 -57.31 9.22 17.24 -58.74 8.93 17.97 -58.02 2 0 6.03 -999 ? O1 EDO A 176 >LEU~A 140 10.65 23.02 -58.09 11.29 23.46 -56.06 10.97 23.24 -57.07 3 0 10.48 -999 ? O1 EDO A 176 >GLU~A 141 9.81 19.65 -63.93 9.85 17.63 -64.47 9.83 18.64 -64.20 2 0 -2.92 -999 ? O2 EDO A 176s >ARG~A 142 3.74 16.64 -60.89 4.24 14.01 -62.37 3.99 15.33 -61.63 2 0 -3.91 -999 ? O1 EDO A 176s >GLN~A 143 4.65 24.60 -58.13 2.66 24.32 -57.42 3.66 24.46 -57.77 2 0 10.52 -999 ? O1 EDO A 176 >PHE~A 144 8.06 25.97 -62.00 9.51 27.18 -59.95 8.79 26.57 -60.98 3 0 9.86 -999 ? O2 EDO A 176 >PHE~A 145 3.62 20.32 -66.27 2.00 18.83 -67.98 2.81 19.58 -67.12 3 0 -3.99 -999 ? C1 EDO A 176s >LEU~A 146 0.62 22.25 -62.06 0.00 20.18 -61.85 0.31 21.21 -61.95 3 0 7.09 -999 ? C1 EDO A 176 >ASP~A 147 2.50 27.44 -62.65 2.90 27.42 -60.53 2.70 27.43 -61.59 2 0 11.28 -999 ? C1 EDO A 176 >ASP~A 148 2.99 26.04 -67.65 4.86 27.02 -67.38 3.93 26.53 -67.52 2 0 9.27 -999 ? O2 EDO A 176 >PHE~A 149 -2.54 22.33 -67.48 -4.91 21.06 -68.27 -3.72 21.69 -67.88 3 0 -10.11 -999 ? MG MG A 172s >ASP~A 150 -3.48 26.61 -63.85 -4.08 24.76 -62.99 -3.78 25.68 -63.42 2 0 -8.58 -999 ? MG MG A 172s >SER~A 151 -2.30 29.65 -67.17 -0.12 29.52 -68.27 -1.21 29.58 -67.72 2 0 7.90 -999 ? MG MG A 172 >LEU~A 152 -3.25 26.85 -71.02 -1.39 26.22 -71.91 -2.32 26.53 -71.47 3 0 8.05 -999 ? MG MG A 172 >SER~A 153 -7.10 28.90 -71.82 -7.02 28.52 -74.17 -7.06 28.71 -72.99 2 0 7.02 -999 ? MG MG A 172 >ALA~A 154 -9.63 26.11 -71.46 -11.13 26.27 -71.08 -10.38 26.19 -71.27 2 0 6.63 -999 ? MG MG A 172 >GLU~A 155 -9.44 25.86 -77.62 -10.18 27.08 -79.11 -9.81 26.47 -78.36 2 0 12.33 -999 ? MG MG A 172 >ALA~A 156 -5.47 25.10 -74.95 -4.52 26.31 -74.62 -4.99 25.70 -74.78 2 0 9.02 -999 ? MG MG A 172 >GLN~A 157 -5.94 24.34 -69.73 -7.00 25.03 -68.06 -6.47 24.68 -68.89 2 0 5.96 -999 ? MG MG A 172 >ARG~A 158 -10.72 18.83 -74.38 -12.42 18.42 -71.84 -11.57 18.62 -73.11 2 0 13.94 -999 ? MG MG A 172 >GLN~A 159 -5.64 22.18 -78.29 -4.46 23.69 -79.23 -5.05 22.94 -78.76 2 0 14.09 -999 ? MG MG A 172 >VAL~A 160 -3.18 19.15 -73.87 -1.70 20.26 -72.62 -2.44 19.70 -73.24 3 0 11.37 -999 ? C2 EDO A 176 >THR~A 161 -5.53 16.69 -72.18 -6.98 17.81 -70.95 -6.26 17.25 -71.56 2 0 13.54 -999 ? MG MG A 172 >ASP~A 162 -7.09 16.11 -76.78 -9.18 16.50 -76.69 -8.13 16.31 -76.74 2 0 17.07 -999 ? MG MG A 172 >LEU~A 163 -1.79 15.78 -76.53 0.13 15.38 -77.48 -0.83 15.58 -77.00 3 0 12.98 -999 ? C2 EDO A 176 >VAL~A 164 -2.36 12.88 -73.19 -1.94 13.34 -71.05 -2.15 13.11 -72.12 3 0 11.13 -999 ? C2 EDO A 176 >ALA~A 165 -5.45 10.72 -73.96 -6.91 11.23 -74.10 -6.18 10.97 -74.03 2 0 16.38 -999 ? C1 EDO A 173 >SER~A 166 -4.26 10.00 -77.48 -3.01 11.75 -78.57 -3.64 10.88 -78.03 2 0 16.41 -999 ? C2 EDO A 176 >LEU~A 167 0.25 9.97 -75.53 1.48 11.24 -76.75 0.87 10.61 -76.14 3 0 13.15 -999 ? C2 EDO A 176 >GLN.A 169 -5.62 6.05 -77.48 -7.08 5.30 -76.08 -6.35 5.68 -76.78 2 0 16.56 -999 ? O1 EDO A 173 >SER.A 170 -1.03 4.16 -78.13 -0.30 6.22 -79.10 -0.66 5.19 -78.61 2 0 16.10 -999 ? O2 EDO A 173