REMARK SOURCE hebe.pdb HEADER PROTEIN BINDING 07-OCT-09 3K5J COMPND PUTATIVE SUFU (SUPPRESSOR OF FUSED PROTEIN) HOMOLOG COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE FA 1090; SOURCE 3 ORGANISM_TAXID: 242231; SOURCE 4 GENE: YP_208451.1; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: HK100; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: SPEEDET AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) HET MSE A 1 8 HET MSE A 83 13 HET MSE A 89 13 HET MSE A 131 10 HET SO4 A 183 5 HET SO4 A 184 5 HET SO4 A 185 5 HET SO4 A 186 5 HET GOL A 187 6 SITE 1 AC1 9 GLY A 0 MSE A 1 ASP A 2 TYR A 3 SITE 1 AC2 6 TRP A 15 LYS A 16 HIS A 17 HIS A 18 SITE 1 AC3 10 TRP A 25 GLY A 28 ARG A 29 THR A 143 SITE 1 AC4 7 ASN A 102 HIS A 115 ARG A 147 HOH A 228 SITE 1 AC5 8 TYR A 122 PHE A 162 ASP A 163 HOH A 292 >GLY~A 0 19.61 9.20 0.72 19.92 8.43 0.79 19.77 8.82 0.75 1 0 -3.01 -999 ? O1 SO4 A 183s >MET?A 1 22.88 9.63 2.59 24.54 13.55 3.13 23.71 11.59 2.86 2 0 -8.11 -999 ? O1 SO4 A 183s >ASP~A 2 20.92 7.32 6.44 21.17 8.76 7.95 21.05 8.04 7.20 2 0 -5.20 -999 ? O4 SO4 A 183s >TYR~A 3 19.85 3.30 1.15 19.92 0.95 -0.35 19.88 2.13 0.40 3 0 -6.19 -999 ? O1 SO4 A 183s >ASN~A 4 24.56 6.32 0.14 23.23 6.88 -1.43 23.90 6.60 -0.65 2 0 6.28 -999 ? O1 SO4 A 183 >GLN~A 5 27.45 5.39 6.20 29.43 5.36 5.47 28.44 5.38 5.84 2 0 10.86 -999 ? O1 SO4 A 183 >THR~A 6 24.61 1.43 4.82 22.46 1.50 5.08 23.54 1.47 4.95 2 0 7.18 -999 ? O3 SO4 A 183 >VAL~A 7 25.60 0.19 1.35 24.69 0.28 -0.67 25.15 0.24 0.34 3 0 9.97 -999 ? O1 SO4 A 183 >LEU~A 8 29.57 2.96 1.89 31.58 3.73 1.58 30.57 3.34 1.74 3 0 12.38 -999 ? O1 SO4 A 183 >SER~A 9 29.53 -0.16 5.11 28.99 1.44 6.81 29.26 0.64 5.96 2 0 12.24 -999 ? O1 SO4 A 183 >HIS~A 10 26.61 -4.96 2.46 26.22 -6.93 1.89 26.41 -5.94 2.18 3 0 12.72 -999 ? O2 SO4 A 184 >LEU~A 11 30.79 -2.35 -0.33 29.37 -2.36 -1.96 30.08 -2.35 -1.14 3 0 10.70 -999 ? O4 SO4 A 184 >GLN~A 12 35.05 -0.53 4.40 36.53 -0.28 2.84 35.79 -0.41 3.62 2 0 7.40 -999 ? O4 SO4 A 184 >LYS~A 13 32.95 -5.09 5.56 28.51 -3.20 9.57 30.73 -4.14 7.57 2 0 14.04 -999 ? O3 SO4 A 184 >PHE~A 14 32.12 -8.94 0.74 32.61 -11.24 -0.65 32.37 -10.09 0.05 3 0 6.37 -999 ? O2 SO4 A 184 >TRP~A 15 36.41 -7.42 -1.75 32.90 -6.59 -3.30 34.66 -7.01 -2.53 3 0 -5.47 -999 ? O2 SO4 A 184s >HIS.A 17 42.29 -6.09 4.62 42.26 -6.53 6.67 42.28 -6.31 5.65 3 0 -4.69 -999 ? O3 SO4 A 184s >HIS.A 18 39.97 -4.61 -1.72 40.82 -6.44 -2.28 40.40 -5.53 -2.00 3 0 -3.77 -999 ? O4 SO4 A 184s >ASP.A 19 40.84 2.02 -1.34 42.53 2.16 -0.07 41.69 2.09 -0.70 2 0 9.70 -999 ? O4 SO4 A 184 >ILE^A 20 35.13 1.38 -1.27 34.06 0.39 -1.11 34.60 0.89 -1.19 3 0 9.53 -999 ? O4 SO4 A 184 >LYS^A 21 35.49 5.28 -3.82 40.82 6.84 -6.62 38.16 6.06 -5.22 2 0 15.97 -999 ? O4 SO4 A 184 >GLY^A 22 32.05 6.84 -4.09 32.69 7.24 -4.44 32.37 7.04 -4.26 1 0 14.93 -999 ? O1 SO4 A 183 >PHE^A 23 32.11 7.63 -8.67 34.69 6.82 -9.20 33.40 7.22 -8.94 3 0 18.51 -999 ? O4 SO4 A 184 >THR.A 24 27.68 11.18 -7.14 28.26 12.33 -5.35 27.97 11.76 -6.24 2 0 13.44 -999 ? O1 SO4 A 183 >TRP.A 25 25.44 11.75 -12.75 26.16 8.24 -11.11 25.80 10.00 -11.93 3 0 -16.74 -999 ? O1 SO4 A 183s >THR.A 26 24.90 17.04 -9.45 26.73 18.00 -8.79 25.81 17.52 -9.12 2 0 17.64 -999 ? O1 SO4 A 183 >LEU.A 27 24.61 17.82 -13.94 24.46 19.33 -15.31 24.54 18.57 -14.62 3 0 21.64 -999 ? O1 SO4 A 183 >GLY~A 28 21.90 14.34 -15.08 21.38 14.66 -14.52 21.64 14.50 -14.80 1 0 -19.61 -999 ? O2 SO4 A 183s >ARG~A 29 19.85 8.63 -16.90 21.23 8.27 -19.63 20.54 8.45 -18.26 2 0 -15.82 -999 ? O4 SO4 A 186s >ILE~A 30 20.43 9.65 -10.97 21.12 9.74 -10.56 20.77 9.69 -10.77 3 0 14.11 -999 ? O2 SO4 A 183 >VAL~A 31 19.15 14.17 -10.01 20.35 15.96 -9.98 19.75 15.07 -9.99 3 0 14.95 -999 ? O2 SO4 A 183 >GLU~A 33 14.66 10.39 -13.82 14.99 9.30 -15.57 14.82 9.84 -14.69 2 0 17.93 -999 ? O4 SO4 A 186 >LEU~A 34 17.19 7.53 -8.69 17.01 5.73 -7.44 17.10 6.63 -8.07 3 0 10.69 -999 ? O2 SO4 A 183 >PRO.A 35 15.81 12.50 -6.14 17.59 11.20 -6.45 16.70 11.85 -6.30 3 0 9.86 -999 ? O2 SO4 A 183 >ASP.A 36 20.82 10.69 -2.70 20.05 12.45 -1.94 20.44 11.57 -2.32 2 0 7.14 -999 ? O1 SO4 A 183 >PHE.A 37 22.06 6.18 -8.32 23.05 3.90 -9.53 22.55 5.04 -8.92 3 0 12.87 -999 ? O1 SO4 A 183 >GLN^A 38 26.19 7.91 -3.88 27.70 8.12 -2.40 26.95 8.02 -3.14 2 0 10.33 -999 ? O1 SO4 A 183 >VAL^A 39 28.06 4.18 -7.57 28.30 3.55 -9.67 28.18 3.87 -8.62 3 0 15.40 -999 ? O1 SO4 A 183 >PHE^A 40 29.75 2.87 -3.12 28.34 4.54 -1.35 29.04 3.70 -2.23 3 0 12.03 -999 ? O1 SO4 A 183 >GLN^A 41 36.03 1.92 -8.55 37.32 3.45 -9.23 36.67 2.69 -8.89 2 0 14.97 -999 ? O4 SO4 A 184 >VAL^A 42 36.00 -1.26 -5.08 35.18 -2.90 -3.88 35.59 -2.08 -4.48 3 0 8.51 -999 ? O4 SO4 A 184 >ILE.A 43 40.32 0.58 -5.66 40.76 1.89 -5.75 40.54 1.23 -5.71 3 0 10.85 -999 ? O4 SO4 A 184 >PRO.A 44 42.02 -3.04 -8.95 41.50 -3.12 -6.76 41.76 -3.08 -7.86 3 0 10.26 -999 ? O4 SO4 A 184 >ASN.A 45 45.02 -4.87 -3.18 43.88 -4.05 -1.59 44.45 -4.46 -2.39 2 0 6.03 -999 ? O1 SO4 A 184 >HIS.A 46 46.90 -8.17 -6.08 45.75 -9.85 -5.51 46.33 -9.01 -5.79 3 0 8.66 -999 ? O1 SO4 A 184 >ASP.A 48 46.25 -11.00 -9.88 48.15 -11.46 -10.77 47.20 -11.23 -10.33 2 0 14.07 -999 ? O1 SO4 A 184 >GLU.A 49 43.08 -7.84 -6.87 42.52 -7.71 -4.83 42.80 -7.78 -5.85 2 0 6.10 -999 ? O1 SO4 A 184 >PRO.A 50 37.94 -8.63 -10.04 39.70 -7.30 -10.46 38.82 -7.96 -10.25 3 0 10.90 -999 ? O2 SO4 A 184 >TRP^A 51 39.94 -2.90 -12.26 41.15 0.43 -10.64 40.54 -1.23 -11.45 3 0 14.07 -999 ? O4 SO4 A 184 >VAL^A 52 33.91 -3.80 -8.85 33.30 -5.50 -7.60 33.61 -4.65 -8.22 3 0 11.07 -999 ? O2 SO4 A 184 >TYR^A 53 32.46 0.08 -11.46 34.84 1.20 -12.35 33.65 0.64 -11.91 3 0 16.33 -999 ? O4 SO4 A 184 >VAL^A 54 28.17 -1.25 -7.29 28.38 -2.51 -5.49 28.28 -1.88 -6.39 3 0 14.42 -999 ? O2 SO4 A 184 >SER^A 55 24.91 0.75 -7.40 22.93 -0.71 -7.71 23.92 0.02 -7.56 2 0 14.25 -999 ? O1 SO4 A 183 >SER^A 56 23.47 2.50 -4.37 24.11 3.34 -2.14 23.79 2.92 -3.25 2 0 8.50 -999 ? O1 SO4 A 183 >GLY.A 57 19.93 3.82 -4.19 19.93 3.04 -4.51 19.93 3.43 -4.35 1 0 8.34 -999 ? O1 SO4 A 183 >ILE~A 58 18.47 0.55 -7.56 18.66 0.16 -8.87 18.57 0.35 -8.22 3 0 13.11 -999 ? O2 SO4 A 183 >GLY~A 59 17.38 -0.85 -3.37 17.12 -0.09 -3.41 17.25 -0.47 -3.39 1 0 10.32 -999 ? O2 SO4 A 183 >GLN~A 60 16.72 3.37 -0.47 16.73 5.33 0.39 16.73 4.35 -0.04 2 0 -3.12 -999 ? O2 SO4 A 183s >PHE~A 61 12.41 3.53 -4.88 12.45 6.16 -3.92 12.43 4.84 -4.40 3 0 8.63 -999 ? O2 SO4 A 183 >LEU~A 62 14.37 -2.27 -6.98 14.21 -3.08 -8.93 14.29 -2.68 -7.96 3 0 14.89 -999 ? O2 SO4 A 183 >GLY~A 63 14.86 -4.26 -2.91 15.32 -4.06 -3.53 15.09 -4.16 -3.22 1 0 13.16 -999 ? O2 SO4 A 183 >GLN^A 64 17.13 -5.91 -6.85 15.29 -6.95 -6.80 16.21 -6.43 -6.83 2 0 17.20 -999 ? O3 GOL A 187 >GLU^A 65 21.85 -1.73 -4.03 21.02 0.13 -4.61 21.43 -0.80 -4.32 2 0 10.98 -999 ? O1 SO4 A 183 >PHE^A 66 21.35 -4.26 -10.37 18.64 -4.86 -10.30 20.00 -4.56 -10.33 3 0 15.33 -999 ? O3 SO4 A 186 >PHE^A 67 28.01 -6.57 -8.03 28.06 -9.31 -7.51 28.04 -7.94 -7.77 3 0 11.30 -999 ? O1 GOL A 187 >ILE^A 68 29.66 -4.03 -13.54 29.34 -3.37 -14.71 29.50 -3.70 -14.12 3 0 14.13 -999 ? C1 GOL A 187 >ILE^A 69 33.16 -8.43 -11.67 33.38 -9.49 -10.73 33.27 -8.96 -11.20 3 0 9.16 -999 ? O1 GOL A 187 >SER^A 70 35.43 -5.32 -14.59 35.78 -3.33 -15.94 35.61 -4.33 -15.26 2 0 15.50 -999 ? O1 GOL A 187 >PRO.A 71 37.93 -6.62 -17.95 38.16 -6.23 -15.74 38.05 -6.42 -16.85 3 0 13.97 -999 ? O1 GOL A 187 >PHE.A 72 39.68 -2.46 -18.38 37.96 -2.58 -20.60 38.82 -2.52 -19.49 3 0 17.88 -999 ? O4 SO4 A 185 >GLU.A 73 39.38 2.86 -13.27 40.72 4.10 -12.22 40.05 3.48 -12.75 2 0 17.55 -999 ? O4 SO4 A 184 >THR.A 74 36.56 2.48 -16.68 35.48 1.40 -18.21 36.02 1.94 -17.44 2 0 19.98 -999 ? O4 SO4 A 185 >PRO~A 75 35.14 6.50 -17.54 34.48 4.78 -16.35 34.81 5.64 -16.95 3 0 22.68 -999 ? O4 SO4 A 184 >GLU~A 76 32.98 2.71 -20.84 34.12 1.28 -21.90 33.55 2.00 -21.37 2 0 17.46 -999 ? O4 SO4 A 185 >HIS~A 77 31.84 -0.74 -15.65 32.71 -2.15 -16.94 32.27 -1.44 -16.30 3 0 16.70 -999 ? O1 GOL A 187 >ILE~A 78 30.33 5.63 -13.43 31.09 6.42 -12.54 30.71 6.02 -12.99 3 0 20.01 -999 ? O1 SO4 A 183 >GLU~A 79 29.33 6.90 -18.30 30.88 6.66 -19.77 30.10 6.78 -19.03 2 0 19.92 -999 ? O4 SO4 A 186 >THR~A 80 25.82 2.17 -17.35 26.47 0.26 -18.12 26.15 1.22 -17.74 2 0 13.87 -999 ? O3 SO4 A 186 >LEU~A 81 25.53 1.82 -12.51 26.23 -0.15 -11.80 25.88 0.83 -12.16 3 0 17.63 -999 ? O3 SO4 A 186 >ALA~A 82 23.12 5.56 -13.95 23.80 6.89 -14.26 23.46 6.23 -14.10 2 0 18.10 -999 ? O1 SO4 A 183 >MET?A 83 21.21 4.46 -17.04 20.27 2.02 -19.40 20.74 3.24 -18.22 2 0 10.57 -999 ? O4 SO4 A 186 >LEU~A 84 20.91 0.01 -14.85 21.52 -1.40 -16.42 21.22 -0.69 -15.64 3 0 12.18 -999 ? O4 SO4 A 186 >ALA~A 85 18.95 3.30 -12.17 19.78 4.39 -11.48 19.36 3.85 -11.82 2 0 14.73 -999 ? O2 SO4 A 183 >SER~A 86 16.62 5.29 -14.48 15.95 6.50 -16.48 16.29 5.90 -15.48 2 0 15.09 -999 ? O4 SO4 A 186 >ALA~A 87 15.42 2.14 -16.28 16.26 1.24 -17.15 15.84 1.69 -16.71 2 0 10.84 -999 ? O4 SO4 A 186 >SER~A 88 14.77 0.21 -13.07 16.27 0.82 -11.30 15.52 0.51 -12.18 2 0 15.43 -999 ? O2 SO4 A 183 >MET?A 89 12.57 3.01 -11.66 13.60 3.84 -8.51 13.09 3.42 -10.09 2 0 12.11 -999 ? O2 SO4 A 183 >HIS~A 90 10.95 5.05 -16.07 11.25 7.13 -16.04 11.10 6.09 -16.06 3 0 15.87 -999 ? O4 SO4 A 186 >TYR~A 91 10.62 -0.12 -17.92 9.88 1.79 -19.82 10.25 0.84 -18.87 3 0 11.02 -999 ? O4 SO4 A 186 >PRO~A 92 8.98 -1.60 -11.45 10.76 -2.16 -12.68 9.87 -1.88 -12.07 3 0 15.26 -999 ? O2 SO4 A 186 >ASP~A 93 8.35 -6.24 -14.18 6.62 -5.83 -13.04 7.48 -6.04 -13.61 2 0 14.94 -999 ? O2 SO4 A 186 >GLN~A 94 11.49 -4.80 -17.92 11.59 -3.46 -19.61 11.54 -4.13 -18.76 2 0 7.76 -999 ? O2 SO4 A 186 >PHE~A 95 16.03 -3.49 -13.86 17.05 -2.20 -16.09 16.54 -2.85 -14.98 3 0 11.00 -999 ? O4 SO4 A 186 >GLN.A 96 12.18 -8.45 -11.04 12.37 -7.52 -9.13 12.27 -7.99 -10.08 2 0 16.37 -999 ? O2 SO4 A 186 >LEU.A 97 16.80 -13.19 -9.91 18.34 -13.55 -8.50 17.57 -13.37 -9.21 3 0 10.90 -999 ? O3 GOL A 187 >GLY.A 98 16.90 -14.05 -14.30 16.83 -13.25 -14.31 16.86 -13.65 -14.30 1 0 10.31 -999 ? O3 GOL A 187 >LYS.A 99 16.05 -11.08 -16.49 10.63 -11.23 -17.20 13.34 -11.16 -16.85 2 0 9.93 -999 ? O2 SO4 A 186 >THR^A 100 18.41 -9.82 -19.17 18.25 -11.08 -20.92 18.33 -10.45 -20.05 2 0 5.54 -999 ? O3 SO4 A 186 >VAL^A 101 19.37 -6.19 -19.48 19.91 -4.95 -17.77 19.64 -5.57 -18.62 3 0 7.17 -999 ? O3 SO4 A 186 >ASN^A 102 19.01 -4.43 -24.01 19.83 -4.01 -25.94 19.42 -4.22 -24.98 2 0 -3.91 -999 ? O4 SO4 A 186s >ILE.A 103 24.38 -2.57 -22.08 25.57 -2.91 -21.36 24.97 -2.74 -21.72 3 0 9.58 -999 ? O3 SO4 A 186 >GLY.A 104 22.28 -0.52 -25.67 23.01 -0.81 -25.44 22.64 -0.67 -25.56 1 0 7.83 -999 ? O4 SO4 A 186 >ARG.A 105 27.25 2.32 -24.38 28.15 4.24 -22.21 27.70 3.28 -23.30 2 0 15.77 -999 ? O4 SO4 A 186 >PRO.A 106 29.73 -2.52 -27.69 28.50 -2.48 -25.86 29.12 -2.50 -26.78 3 0 11.38 -999 ? O4 SO4 A 185 >TRP.A 107 30.90 -6.17 -22.07 32.74 -6.86 -18.64 31.82 -6.51 -20.35 3 0 12.34 -999 ? O4 SO4 A 185 >VAL.A 108 33.04 -2.04 -22.41 34.28 -3.27 -21.06 33.66 -2.66 -21.73 3 0 14.31 -999 ? O4 SO4 A 185 >GLU.A 109 35.20 1.17 -27.50 36.95 2.35 -27.85 36.08 1.76 -27.68 2 0 17.44 -999 ? O4 SO4 A 185 >GLN.A 110 38.34 -2.23 -27.50 38.26 -1.91 -29.60 38.30 -2.07 -28.55 2 0 14.29 -999 ? O4 SO4 A 185 >SER.A 111 33.71 -6.19 -26.26 32.58 -7.67 -24.63 33.15 -6.93 -25.45 2 0 8.59 -999 ? O4 SO4 A 185 >SER.A 112 30.84 -7.45 -28.37 30.88 -9.88 -28.71 30.86 -8.66 -28.54 2 0 4.00 -999 ? O4 SO4 A 185 >PHE.A 113 30.20 -10.05 -24.31 32.09 -12.04 -24.78 31.15 -11.05 -24.54 3 0 6.49 -999 ? O4 SO4 A 185 >ARG.A 114 25.26 -5.25 -28.90 25.34 -2.27 -29.65 25.30 -3.76 -29.27 2 0 10.46 -999 ? O4 SO4 A 186 >HIS^A 115 21.97 -8.38 -24.21 21.15 -7.99 -26.09 21.56 -8.19 -25.15 3 0 -4.15 -999 ? O3 SO4 A 186s >PHE^A 116 24.90 -6.50 -17.70 26.86 -4.54 -17.66 25.88 -5.52 -17.68 3 0 11.45 -999 ? O3 SO4 A 186 >LEU^A 117 22.40 -12.95 -17.33 21.07 -14.68 -16.91 21.73 -13.81 -17.12 3 0 7.34 -999 ? O3 GOL A 187 >ILE^A 118 19.59 -9.71 -13.26 18.92 -8.54 -12.83 19.25 -9.12 -13.05 3 0 11.61 -999 ? O3 GOL A 187 >SER.A 119 22.41 -13.21 -11.47 24.20 -14.90 -11.64 23.30 -14.06 -11.56 2 0 4.46 -999 ? O3 GOL A 187 >LEU.A 120 22.73 -15.61 -7.26 20.81 -16.09 -6.32 21.77 -15.85 -6.79 3 0 8.47 -999 ? O3 GOL A 187 >PRO.A 121 25.51 -12.52 -4.72 25.83 -13.28 -6.81 25.67 -12.90 -5.76 3 0 9.54 -999 ? O3 GOL A 187 >TYR.A 122 26.78 -17.70 -8.84 24.15 -18.51 -9.34 25.46 -18.10 -9.09 3 0 -4.52 -999 ? O3 GOL A 187s >PRO.A 123 31.46 -13.89 -9.22 31.20 -15.02 -7.31 31.33 -14.46 -8.26 3 0 5.49 -999 ? O1 GOL A 187 >TYR.A 124 31.87 -11.32 -4.75 33.57 -10.05 -6.57 32.72 -10.69 -5.66 3 0 8.75 -999 ? O2 SO4 A 184 >GLY~A 125 28.51 -15.46 -1.90 28.44 -14.67 -1.97 28.48 -15.06 -1.93 1 0 11.28 -999 ? O1 GOL A 187 >GLN~A 126 23.94 -15.43 2.21 23.23 -16.93 3.49 23.58 -16.18 2.85 2 0 17.35 -999 ? O3 GOL A 187 >GLU~A 127 29.27 -13.63 4.36 30.88 -13.78 5.73 30.08 -13.70 5.04 2 0 10.33 -999 ? O3 SO4 A 184 >LEU~A 128 28.58 -9.91 -1.41 28.99 -8.11 -2.66 28.78 -9.01 -2.03 3 0 10.20 -999 ? O2 SO4 A 184 >GLU~A 129 22.47 -12.77 -2.17 21.69 -14.67 -1.79 22.08 -13.72 -1.98 2 0 13.13 -999 ? O3 GOL A 187 >TYR^A 130 20.39 -11.61 1.86 18.19 -12.87 0.62 19.29 -12.24 1.24 3 0 17.44 -999 ? O3 GOL A 187 >MET?A 131 22.26 -6.64 3.63 23.29 -2.59 2.72 22.78 -4.61 3.18 2 0 11.04 -999 ? O1 SO4 A 183 >ASP^A 132 18.94 -4.29 6.14 20.56 -3.44 7.20 19.75 -3.86 6.67 2 0 10.85 -999 ? O3 SO4 A 183 >ASN^A 133 15.30 -4.22 3.77 14.30 -4.31 5.66 14.80 -4.26 4.72 2 0 11.44 -999 ? O3 SO4 A 183 >VAL^A 134 18.33 -5.48 0.31 18.75 -3.37 -0.27 18.54 -4.43 0.02 3 0 12.06 -999 ? O3 SO4 A 183 >ARG^A 135 17.52 -10.77 -2.23 17.39 -13.41 -3.75 17.45 -12.09 -2.99 2 0 14.09 -999 ? O3 GOL A 187 >PHE^A 136 24.42 -5.93 -2.75 24.21 -3.61 -1.26 24.31 -4.77 -2.01 3 0 14.41 -999 ? O1 SO4 A 183 >PHE^A 137 20.27 -9.50 -7.69 18.09 -10.42 -6.25 19.18 -9.96 -6.97 3 0 12.80 -999 ? O3 GOL A 187 >TRP^A 138 28.26 -10.00 -11.61 29.31 -13.70 -12.28 28.78 -11.85 -11.95 3 0 6.26 -999 ? O1 GOL A 187 >LEU^A 139 25.32 -6.55 -14.11 23.64 -5.18 -13.87 24.48 -5.86 -13.99 3 0 12.51 -999 ? C3 GOL A 187 >LEU^A 140 26.59 -12.34 -15.42 27.74 -14.07 -16.00 27.17 -13.21 -15.71 3 0 5.12 -999 ? C3 GOL A 187 >PRO^A 141 29.89 -8.98 -18.47 27.95 -10.11 -18.63 28.92 -9.55 -18.55 3 0 9.66 -999 ? C1 GOL A 187 >ILE^A 142 25.12 -13.13 -21.58 23.77 -13.23 -20.98 24.44 -13.18 -21.28 3 0 9.12 -999 ? O2 SO4 A 185 >THR^A 143 27.22 -12.92 -25.58 28.08 -14.86 -25.93 27.65 -13.89 -25.76 2 0 -3.84 -999 ? O2 SO4 A 185s >GLN^A 144 25.49 -9.63 -29.13 25.86 -8.37 -30.78 25.67 -9.00 -29.95 2 0 -6.19 -999 ? O4 SO4 A 185s >THR^A 145 24.01 -15.45 -29.15 25.65 -16.20 -30.34 24.83 -15.82 -29.75 2 0 -2.74 -999 ? O2 SO4 A 185s >GLU^A 146 25.68 -17.22 -24.43 27.35 -16.79 -23.24 26.52 -17.01 -23.83 2 0 6.91 -999 ? O2 SO4 A 185 >ARG^A 147 18.87 -11.02 -25.98 16.11 -11.34 -24.74 17.49 -11.18 -25.36 2 0 -4.00 -999 ? O3 SO4 A 186s >LEU^A 148 19.67 -15.07 -29.69 18.43 -15.34 -31.44 19.05 -15.20 -30.57 3 0 8.68 -999 ? O2 SO4 A 185 >PHE^A 149 20.42 -20.40 -25.50 20.32 -22.76 -24.15 20.37 -21.58 -24.83 3 0 11.32 -999 ? O2 SO4 A 185 >LEU^A 150 17.67 -16.08 -22.82 18.95 -16.44 -21.09 18.31 -16.26 -21.95 3 0 9.28 -999 ? O3 SO4 A 186 >ASN^A 151 14.27 -15.92 -27.46 14.68 -13.85 -27.43 14.48 -14.89 -27.44 2 0 6.72 -999 ? O2 SO4 A 186 >THR^A 152 13.60 -20.29 -26.37 14.14 -20.42 -28.45 13.87 -20.35 -27.41 2 0 13.34 -999 ? O2 SO4 A 186 >HIS^A 153 17.07 -22.85 -24.96 17.44 -23.70 -26.84 17.26 -23.28 -25.90 3 0 14.18 -999 ? O2 SO4 A 185 >SER^A 154 15.38 -21.16 -19.66 15.95 -23.15 -18.43 15.67 -22.15 -19.04 2 0 12.32 -999 ? O3 GOL A 187 >VAL^A 155 17.86 -19.18 -17.61 17.82 -17.30 -16.53 17.84 -18.24 -17.07 3 0 9.09 -999 ? O3 GOL A 187 >GLU^A 157 17.78 -25.41 -20.20 16.70 -25.19 -22.01 17.24 -25.30 -21.10 2 0 14.44 -999 ? O3 GOL A 187 >LEU^A 158 21.65 -19.75 -20.12 22.96 -18.45 -21.29 22.31 -19.10 -20.71 3 0 8.20 -999 ? O3 GOL A 187 >GLU^A 159 22.39 -19.23 -14.95 21.39 -18.52 -13.22 21.89 -18.88 -14.09 2 0 4.84 -999 ? O3 GOL A 187 >THR^A 160 24.20 -24.86 -16.61 23.11 -26.68 -16.57 23.65 -25.77 -16.59 2 0 9.27 -999 ? O2 GOL A 187 >PHE^A 162 26.83 -19.12 -18.03 25.81 -17.11 -19.63 26.32 -18.12 -18.83 3 0 -5.05 -999 ? C3 GOL A 187s >ASP^A 163 28.05 -24.47 -14.16 26.84 -23.25 -12.91 27.45 -23.86 -13.53 2 0 -3.99 -999 ? O2 GOL A 187s >GLU^A 164 28.21 -28.00 -17.56 26.63 -28.96 -18.62 27.42 -28.48 -18.09 2 0 10.45 -999 ? O2 GOL A 187 >ALA^A 165 32.31 -24.04 -19.59 31.74 -22.97 -20.58 32.03 -23.51 -20.09 2 0 7.92 -999 ? O2 GOL A 187 >GLY^A 166 33.72 -22.35 -16.45 33.44 -22.01 -17.18 33.58 -22.18 -16.81 1 0 6.03 -999 ? O2 GOL A 187 >ILE^A 167 31.83 -18.33 -18.50 30.46 -18.12 -18.58 31.14 -18.22 -18.54 3 0 5.05 -999 ? C1 GOL A 187 >ASP^A 168 37.09 -16.30 -18.31 38.36 -14.79 -17.53 37.73 -15.54 -17.92 2 0 9.34 -999 ? O1 GOL A 187 >TYR^A 169 33.08 -13.46 -14.56 34.16 -13.76 -12.03 33.62 -13.61 -13.30 3 0 4.93 -999 ? O1 GOL A 187 >LEU^A 170 37.65 -10.98 -16.05 37.40 -10.33 -13.99 37.52 -10.66 -15.02 3 0 9.92 -999 ? O1 GOL A 187 >ASP^A 171 37.67 -13.37 -21.07 38.33 -13.61 -23.03 38.00 -13.49 -22.05 2 0 11.11 -999 ? O3 SO4 A 185 >ILE^A 172 36.25 -7.88 -23.27 37.17 -6.79 -23.27 36.71 -7.34 -23.27 3 0 11.70 -999 ? O4 SO4 A 185 >ASN^A 173 37.34 -11.64 -26.82 37.15 -12.56 -28.75 37.24 -12.10 -27.78 2 0 7.73 -999 ? O4 SO4 A 185 >ARG^A 174 32.67 -15.66 -21.27 29.63 -15.97 -21.80 31.15 -15.82 -21.54 2 0 8.01 -999 ? O3 SO4 A 185 >ALA^A 175 33.70 -17.79 -26.36 34.23 -19.19 -26.60 33.96 -18.49 -26.48 2 0 6.58 -999 ? O3 SO4 A 185 >SER^A 176 29.98 -18.20 -26.41 27.79 -17.99 -27.31 28.88 -18.09 -26.86 2 0 -3.98 -999 ? O3 SO4 A 185s >THR^A 177 28.61 -21.28 -24.56 28.22 -20.59 -22.58 28.41 -20.94 -23.57 2 0 8.77 -999 ? O2 GOL A 187 >VAL^A 178 25.75 -21.87 -26.97 24.21 -20.76 -25.87 24.98 -21.31 -26.42 3 0 8.08 -999 ? O2 SO4 A 185 >TRP^A 179 26.67 -21.97 -33.71 24.38 -24.74 -35.36 25.52 -23.35 -34.53 3 0 9.31 -999 ? O1 SO4 A 185 >GLN^A 180 20.55 -21.38 -30.71 18.88 -20.20 -30.03 19.72 -20.79 -30.37 2 0 10.50 -999 ? O2 SO4 A 185