REMARK SOURCE hebe.pdb HEADER METAL BINDING PROTEIN 10-AUG-09 3IMK COMPND PUTATIVE MOLYBDENUM CARRIER PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: SYNTROPHUS ACIDITROPHICUS SB; SOURCE 3 ORGANISM_TAXID: 56780; SOURCE 4 GENE: SYNAS_17590, SYN_02013, YP_461806.1; 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 57 8 HET MSE A 149 16 HET GOL A 158 6 HET GOL A 159 6 HET MES A 160 12 HET PG4 A 161 13 HET PG6 A 162 36 SITE 1 AC1 10 GLY A 13 ASP A 19 ARG A 65 GLY A 87 SITE 1 AC2 8 LYS A 4 PRO A 5 HIS A 104 ASP A 106 SITE 1 AC3 6 THR A 16 GLY A 17 ALA A 138 TYR A 145 SITE 1 AC4 5 MSE A 1 LYS A 9 TYR A 33 ASP A 72 SITE 1 AC5 3 TRP A 36 LYS A 68 ASP A 72 >GLY.A 0 21.64 22.65 10.04 22.01 21.99 9.64 21.83 22.32 9.84 1 0 21.31 -999 ? O1 GOL A 159 >MET?A 1 22.20 23.83 6.44 19.00 26.13 4.48 20.60 24.98 5.46 2 0 -18.66 -999 ? O1 GOL A 159s >GLU.A 3 26.16 18.03 8.12 25.26 16.78 9.60 25.71 17.41 8.86 2 0 19.57 -999 ? C5 PG4 A 161 >PRO.A 5 25.86 15.83 0.87 27.07 15.78 2.75 26.47 15.80 1.81 3 0 -17.06 -999 ? O3 PG4 A 161s >ALA.A 6 30.22 13.03 3.76 30.59 12.84 5.25 30.40 12.93 4.50 2 0 12.80 -999 ? O3 PG4 A 161 >ILE.A 7 29.94 10.85 -0.57 28.75 10.03 -0.58 29.34 10.44 -0.57 3 0 11.42 -999 ? O3 PG4 A 161 >THR.A 8 33.60 8.54 1.63 33.32 8.00 3.67 33.46 8.27 2.65 2 0 7.13 -999 ? O3 PG4 A 161 >LYS^A 9 32.92 5.84 -0.98 35.23 -0.29 -0.85 34.07 2.78 -0.91 2 0 -2.74 -999 ? O5 PG4 A 161s >ILE^A 10 30.62 6.19 -5.21 29.99 7.18 -6.04 30.31 6.68 -5.63 3 0 10.13 -999 ? C8 PG4 A 161 >ILE^A 11 29.94 0.54 -3.95 29.79 -0.09 -2.63 29.86 0.22 -3.29 3 0 4.33 -999 ? C8 PG4 A 161 >SER.A 12 28.01 -0.05 -7.80 28.83 0.64 -9.99 28.42 0.30 -8.89 2 0 6.46 -999 ? O3 GOL A 158 >GLY.A 13 27.58 -3.36 -9.59 27.86 -2.72 -10.00 27.72 -3.04 -9.80 1 0 -3.70 -999 ? O3 GOL A 158s >GLY.A 14 29.68 -2.36 -12.62 28.87 -2.38 -12.67 29.28 -2.37 -12.64 1 0 6.13 -999 ? O3 GOL A 158 >GLN.A 15 24.34 -3.09 -15.96 24.86 -4.85 -17.09 24.60 -3.97 -16.53 2 0 6.38 -999 ? C3 GOL A 158 >THR.A 16 26.62 -0.20 -18.08 26.23 -1.31 -19.88 26.42 -0.76 -18.98 2 0 -4.24 -999 ? O1S MES A 160s >GLY~A 17 24.33 2.76 -17.50 24.99 2.67 -17.06 24.66 2.72 -17.28 1 0 -3.52 -999 ? O2S MES A 160s >ALA~A 18 23.78 4.04 -13.97 22.50 3.82 -13.10 23.14 3.93 -13.53 2 0 5.47 -999 ? O2 GOL A 158 >ASP~A 19 26.49 0.21 -12.43 25.15 -0.97 -11.33 25.82 -0.38 -11.88 2 0 -2.92 -999 ? O2 GOL A 158s >ARG~A 20 31.46 1.11 -16.20 31.16 -1.25 -18.17 31.31 -0.07 -17.18 2 0 4.21 -999 ? O1S MES A 160 >ALA~A 21 28.36 6.45 -14.43 27.02 7.19 -14.75 27.69 6.82 -14.59 2 0 6.41 -999 ? O2S MES A 160 >ALA~A 22 28.64 6.16 -10.69 27.86 5.17 -9.76 28.25 5.67 -10.22 2 0 8.54 -999 ? O2 GOL A 158 >LEU~A 23 32.51 3.34 -11.46 32.12 1.47 -10.33 32.31 2.41 -10.89 3 0 9.97 -999 ? O1S MES A 160 >ASP~A 24 32.69 7.31 -15.04 33.15 5.67 -16.27 32.92 6.49 -15.65 2 0 5.45 -999 ? C5 MES A 160 >PHE~A 25 30.36 11.47 -10.12 30.20 13.85 -8.73 30.28 12.66 -9.42 3 0 13.40 -999 ? O1 MES A 160 >ALA~A 26 33.83 8.76 -8.41 33.68 7.39 -7.74 33.75 8.07 -8.07 2 0 9.80 -999 ? C1 PG4 A 161 >ILE~A 27 37.26 7.49 -11.63 37.86 6.37 -12.27 37.56 6.93 -11.95 3 0 11.23 -999 ? C5 MES A 160 >LYS~A 28 36.66 11.96 -11.94 32.55 15.52 -15.09 34.61 13.74 -13.52 2 0 10.05 -999 ? O1 MES A 160 >HIS~A 29 34.08 14.67 -8.98 33.23 16.03 -10.34 33.66 15.35 -9.66 3 0 14.40 -999 ? O1 MES A 160 >HIS.A 30 41.11 11.27 -5.79 42.72 10.05 -5.21 41.92 10.66 -5.50 3 0 10.77 -999 ? C1 PG4 A 161 >ILE.A 31 34.56 9.99 -4.55 33.29 10.54 -4.17 33.93 10.26 -4.36 3 0 10.49 -999 ? C1 PG4 A 161 >PRO.A 32 37.85 7.24 -1.27 36.93 6.94 -3.28 37.39 7.09 -2.28 3 0 5.90 -999 ? C2 PG4 A 161 >TYR^A 33 35.75 3.47 -7.40 37.78 2.52 -9.08 36.76 3.00 -8.24 3 0 -6.82 -999 ? C1 PG4 A 161s >GLY^A 34 34.33 -0.15 -5.20 33.63 0.28 -5.42 33.98 0.06 -5.31 1 0 4.82 -999 ? O1 PG4 A 161 >GLY.A 35 31.55 -2.65 -5.72 32.28 -3.05 -5.70 31.92 -2.85 -5.71 1 0 5.26 -999 ? O5 PG4 A 161 >TRP^A 36 30.00 -6.06 -2.80 32.66 -8.86 -2.04 31.33 -7.46 -2.42 3 0 -5.09 -999 ? O4 BPG6 A 162s >VAL^A 37 30.42 -7.64 -9.71 32.22 -6.66 -10.61 31.32 -7.15 -10.16 3 0 8.10 -999 ? O3 GOL A 158 >PRO~A 38 27.94 -10.02 -12.43 29.55 -10.40 -10.90 28.75 -10.21 -11.66 3 0 8.15 -999 ? O3 GOL A 158 >LYS~A 39 32.22 -13.77 -11.15 32.20 -19.71 -11.82 32.21 -16.74 -11.49 2 0 12.65 -999 ? C12APG6 A 162 >GLY~A 40 34.10 -13.01 -14.40 33.81 -12.43 -13.91 33.95 -12.72 -14.16 1 0 13.49 -999 ? C1 APG6 A 162 >ARG~A 41 36.94 -8.15 -14.07 37.40 -5.49 -12.62 37.17 -6.82 -13.35 2 0 11.94 -999 ? O1 PG4 A 161 >LEU~A 42 29.31 -11.11 -16.41 30.02 -13.10 -16.99 29.67 -12.11 -16.70 3 0 11.86 -999 ? O3 GOL A 158 >ALA.A 43 28.23 -6.95 -17.76 29.01 -5.67 -17.43 28.62 -6.31 -17.60 2 0 7.96 -999 ? O1S MES A 160 >GLU.A 44 24.75 -4.42 -22.19 23.14 -3.09 -22.12 23.94 -3.75 -22.16 2 0 7.09 -999 ? O3S MES A 160 >GLY.A 45 29.03 -4.90 -23.40 29.12 -5.50 -22.89 29.07 -5.20 -23.14 1 0 7.32 -999 ? O1S MES A 160 >GLY.A 46 31.64 -7.30 -21.99 31.33 -6.81 -21.45 31.49 -7.05 -21.72 1 0 9.53 -999 ? O1S MES A 160 >ARG.A 47 37.47 -9.51 -18.39 38.28 -11.07 -15.87 37.87 -10.29 -17.13 2 0 16.02 -999 ? C1 APG6 A 162 >VAL.A 48 34.06 -4.68 -16.86 32.99 -3.96 -15.05 33.53 -4.32 -15.96 3 0 8.67 -999 ? O1S MES A 160 >PRO.A 49 36.10 -1.55 -19.20 36.66 -3.15 -17.74 36.38 -2.35 -18.47 3 0 8.53 -999 ? O1S MES A 160 >GLU.A 50 41.11 -6.04 -16.55 40.68 -7.53 -15.05 40.89 -6.78 -15.80 2 0 15.29 -999 ? O1 PG4 A 161 >THR.A 51 40.95 -0.18 -14.81 40.81 0.90 -16.64 40.88 0.36 -15.73 2 0 11.54 -999 ? C5 MES A 160 >TYR.A 52 35.99 0.42 -13.78 34.99 2.23 -15.66 35.49 1.33 -14.72 3 0 8.48 -999 ? O1S MES A 160 >GLN.A 53 41.25 -0.54 -8.69 42.38 -2.10 -9.62 41.82 -1.32 -9.15 2 0 9.12 -999 ? O1 PG4 A 161 >LEU.A 54 35.01 -4.07 -9.27 33.97 -2.28 -10.02 34.49 -3.18 -9.65 3 0 8.94 -999 ? O1 PG4 A 161 >GLN^A 55 36.10 -6.05 -4.08 35.91 -3.88 -4.52 36.00 -4.97 -4.30 2 0 4.91 -999 ? O1 PG4 A 161 >GLU^A 56 35.35 -10.85 -10.05 36.49 -12.19 -11.25 35.92 -11.52 -10.65 2 0 11.02 -999 ? C1 APG6 A 162 >MET?A 57 31.25 -12.58 -6.31 29.09 -10.99 -4.15 30.17 -11.79 -5.23 2 0 3.82 -999 ? O3 BPG6 A 162 >PRO.A 58 30.71 -16.11 -3.85 31.34 -15.68 -5.98 31.02 -15.90 -4.91 3 0 4.71 -999 ? C12APG6 A 162 >THR.A 59 29.04 -16.92 -8.99 27.24 -17.70 -7.96 28.14 -17.31 -8.47 2 0 8.36 -999 ? C12APG6 A 162 >SER.A 60 28.09 -15.19 -12.21 27.47 -16.96 -13.69 27.78 -16.07 -12.95 2 0 13.31 -999 ? C12APG6 A 162 >ASP~A 61 23.84 -15.02 -9.80 21.78 -14.71 -9.83 22.81 -14.86 -9.81 2 0 11.07 -999 ? C4 BPG6 A 162 >TYR~A 62 23.24 -9.80 -13.82 24.49 -8.88 -16.18 23.87 -9.34 -15.00 3 0 7.01 -999 ? C3 GOL A 158 >SER~A 63 20.78 -10.80 -8.57 18.67 -11.41 -9.52 19.72 -11.10 -9.04 2 0 9.01 -999 ? C3 GOL A 158 >LYS~A 64 23.36 -11.94 -5.97 23.14 -18.24 -6.07 23.25 -15.09 -6.02 2 0 8.50 -999 ? C11APG6 A 162 >ARG~A 65 26.11 -6.82 -9.37 24.53 -6.50 -12.03 25.32 -6.66 -10.70 2 0 -3.24 -999 ? O3 GOL A 158s >THR~A 66 22.91 -6.51 -6.66 21.37 -6.02 -8.08 22.14 -6.26 -7.37 2 0 4.21 -999 ? C3 GOL A 158 >GLU~A 67 21.07 -9.58 -1.51 20.60 -11.63 -1.18 20.84 -10.60 -1.34 2 0 5.46 -999 ? C3 BPG6 A 162 >LYS~A 68 25.54 -7.68 -2.00 28.98 -10.60 1.38 27.26 -9.14 -0.31 2 0 -2.64 -999 ? O4 APG6 A 162s >ASN~A 69 25.98 -3.39 -4.38 27.64 -4.08 -5.50 26.81 -3.74 -4.94 2 0 6.26 -999 ? O3 GOL A 158 >VAL~A 70 22.72 -3.14 -1.06 20.49 -3.27 -1.44 21.61 -3.21 -1.25 3 0 8.82 -999 ? C12BPG6 A 162 >LEU~A 71 24.13 -6.50 2.12 22.55 -7.88 2.70 23.34 -7.19 2.41 3 0 4.23 -999 ? C1 BPG6 A 162 >ASP~A 72 28.59 -4.44 1.02 30.54 -4.59 1.85 29.57 -4.51 1.44 2 0 3.48 -999 ? O3 APG6 A 162s >SER.A 73 26.73 0.10 1.88 25.04 0.06 0.09 25.88 0.08 0.99 2 0 7.05 -999 ? C8 PG4 A 161 >ASP.A 74 25.62 3.94 4.53 27.41 3.70 5.63 26.51 3.82 5.08 2 0 7.29 -999 ? C6 PG4 A 161 >GLY^A 75 22.21 3.34 1.59 22.91 3.12 1.17 22.56 3.23 1.38 1 0 10.96 -999 ? C8 PG4 A 161 >THR^A 76 21.18 2.90 -2.05 20.97 0.87 -2.87 21.07 1.89 -2.46 2 0 8.38 -999 ? O2 GOL A 158 >LEU^A 77 21.30 6.79 -4.80 20.79 8.69 -5.76 21.04 7.74 -5.28 3 0 10.41 -999 ? O3 GOL A 159 >ILE^A 78 17.23 3.22 -7.42 16.76 1.86 -7.33 17.00 2.54 -7.37 3 0 7.18 -999 ? C1 GOL A 158 >ILE^A 79 19.54 7.26 -11.05 20.47 8.30 -11.02 20.00 7.78 -11.03 3 0 9.25 -999 ? O2 GOL A 158 >SER^A 80 15.84 5.89 -13.61 13.67 5.41 -12.63 14.75 5.65 -13.12 2 0 7.06 -999 ? O3 GOL A 159 >HIS.A 81 15.09 8.73 -17.68 16.81 9.93 -17.85 15.95 9.33 -17.77 3 0 10.74 -999 ? O3 GOL A 159 >GLY.A 82 10.16 5.96 -15.27 10.78 5.88 -14.73 10.47 5.92 -15.00 1 0 8.47 -999 ? O3 GOL A 159 >ILE.A 83 7.54 2.67 -12.83 6.94 2.11 -13.26 7.24 2.39 -13.04 3 0 10.22 -999 ? O3 GOL A 159 >LEU.A 84 11.98 0.52 -10.32 13.47 1.91 -9.47 12.73 1.21 -9.89 3 0 8.65 -999 ? C1 GOL A 158 >GLY~A 86 13.98 -5.56 -13.65 13.86 -5.07 -13.00 13.92 -5.32 -13.32 1 0 7.08 -999 ? O1 GOL A 158 >GLY~A 87 17.25 -5.31 -11.70 16.67 -4.73 -11.75 16.96 -5.02 -11.73 1 0 -4.16 -999 ? O1 GOL A 158s >SER~A 88 16.50 -1.78 -10.49 17.41 -0.28 -12.19 16.95 -1.03 -11.34 2 0 -3.56 -999 ? O1 GOL A 158s >ALA~A 89 13.15 -2.88 -9.01 11.93 -3.40 -9.76 12.54 -3.14 -9.39 2 0 8.57 -999 ? C1 GOL A 158 >LEU~A 90 15.79 -6.89 -8.11 16.18 -8.90 -7.37 15.99 -7.89 -7.74 3 0 7.55 -999 ? C1 GOL A 158 >THR~A 91 17.50 -3.41 -5.89 19.10 -2.17 -6.69 18.30 -2.79 -6.29 2 0 -4.49 -999 ? C1 GOL A 158s >GLU~A 92 12.61 0.04 -4.15 11.18 1.08 -5.26 11.90 0.56 -4.70 2 0 9.62 -999 ? O2 GOL A 159 >PHE~A 93 12.36 -7.23 -3.15 11.68 -9.49 -1.72 12.02 -8.36 -2.43 3 0 13.23 -999 ? C1 GOL A 158 >PHE~A 94 17.80 -7.40 -2.85 18.02 -9.72 -4.35 17.91 -8.56 -3.60 3 0 9.61 -999 ? C3 BPG6 A 162 >ALA~A 95 16.85 -2.42 0.29 17.03 -1.03 -0.38 16.94 -1.72 -0.04 2 0 11.22 -999 ? C1 GOL A 158 >GLU~A 96 11.86 -2.04 -0.34 12.08 0.09 -0.60 11.97 -0.97 -0.47 2 0 12.11 -999 ? O2 GOL A 159 >GLN~A 97 14.71 -8.78 2.69 15.42 -10.44 1.53 15.07 -9.61 2.11 2 0 9.90 -999 ? C2 BPG6 A 162 >TYR~A 98 18.61 -6.98 3.36 18.98 -9.56 2.38 18.79 -8.27 2.87 3 0 7.16 -999 ? C1 BPG6 A 162 >LYS.A 100 18.59 -0.08 4.17 23.63 -1.25 5.64 21.11 -0.66 4.91 2 0 7.76 -999 ? C6 APG6 A 162 >PRO.A 101 19.32 4.13 5.20 18.14 2.97 3.66 18.73 3.55 4.43 3 0 14.28 -999 ? C6 APG6 A 162 >CYH^A 102 16.80 3.82 -0.25 16.04 2.16 -2.41 16.42 2.99 -1.33 2 0 10.74 -999 ? C1 GOL A 158 >LEU^A 103 16.70 8.08 -2.20 15.93 10.10 -2.61 16.32 9.09 -2.41 3 0 7.48 -999 ? O1 GOL A 159 >HIS^A 104 13.05 5.40 -7.78 12.41 5.36 -9.79 12.73 5.38 -8.79 3 0 -5.18 -999 ? O3 GOL A 159s >ILE^A 105 16.30 10.20 -8.33 15.91 11.51 -7.80 16.11 10.86 -8.06 3 0 4.76 -999 ? O3 GOL A 159 >ASP^A 106 11.31 8.75 -11.23 10.40 8.41 -13.12 10.85 8.58 -12.18 2 0 -5.46 -999 ? O3 GOL A 159s >LEU.A 107 15.72 11.68 -14.23 17.44 12.33 -13.04 16.58 12.01 -13.64 3 0 7.77 -999 ? O3 GOL A 159 >ASP.A 108 10.24 10.65 -16.37 11.19 9.78 -18.07 10.72 10.21 -17.22 2 0 9.98 -999 ? O3 GOL A 159 >ARG.A 109 6.61 11.11 -12.34 6.07 11.91 -15.29 6.34 11.51 -13.81 2 0 8.36 -999 ? C3 GOL A 159 >ILE.A 110 12.29 15.02 -9.67 13.12 14.80 -8.53 12.70 14.91 -9.10 3 0 4.15 -999 ? C3 GOL A 159 >SER~A 111 14.56 17.81 -12.53 14.61 19.90 -11.31 14.59 18.85 -11.92 2 0 9.79 -999 ? C1 GOL A 159 >ILE~A 112 19.32 17.18 -13.14 20.24 16.75 -14.00 19.78 16.97 -13.57 3 0 12.00 -999 ? C3 GOL A 159 >GLU~A 113 19.22 22.05 -11.45 18.36 21.67 -13.39 18.79 21.86 -12.42 2 0 13.84 -999 ? C3 GOL A 159 >ASP~A 114 14.23 19.56 -7.92 13.75 21.54 -8.57 13.99 20.55 -8.24 2 0 9.69 -999 ? C1 GOL A 159 >ALA~A 115 16.71 15.74 -7.28 16.95 14.76 -8.45 16.83 15.25 -7.87 2 0 7.13 -999 ? O3 GOL A 159 >ALA~A 116 20.18 16.81 -6.08 21.13 17.78 -6.80 20.65 17.29 -6.44 2 0 12.18 -999 ? C1 GOL A 159 >THR~A 117 18.47 18.68 -3.21 17.50 20.56 -2.96 17.99 19.62 -3.08 2 0 10.98 -999 ? O1 GOL A 159 >LEU~A 118 15.48 14.81 -3.10 13.43 15.60 -3.41 14.45 15.21 -3.26 3 0 -5.25 -999 ? O1 GOL A 159s >ILE~A 119 20.57 13.08 -3.60 21.11 12.29 -4.64 20.84 12.68 -4.12 3 0 10.54 -999 ? O3 GOL A 159 >ASN~A 120 21.71 17.38 -0.50 22.71 18.51 0.97 22.21 17.95 0.24 2 0 15.03 -999 ? O1 GOL A 159 >SER~A 121 18.66 15.89 2.45 17.18 17.70 1.85 17.92 16.79 2.15 2 0 10.95 -999 ? O1 GOL A 159 >TRP~A 122 17.24 8.93 1.89 20.12 7.34 -0.23 18.68 8.14 0.83 3 0 11.16 -999 ? O1 GOL A 159 >THR~A 123 22.25 11.36 2.59 23.31 11.90 0.77 22.78 11.63 1.68 2 0 14.30 -999 ? O1 GOL A 159 >VAL~A 124 22.86 13.88 5.40 23.46 15.96 5.53 23.16 14.92 5.46 3 0 16.74 -999 ? O1 GOL A 159 >SER~A 125 19.79 12.94 7.45 17.81 12.57 6.10 18.80 12.75 6.78 2 0 13.35 -999 ? O1 GOL A 159 >HIS~A 126 18.49 8.39 6.02 16.41 8.65 5.86 17.45 8.52 5.94 3 0 13.64 -999 ? O1 GOL A 159 >HIS.A 127 23.69 9.83 10.21 22.35 10.66 11.59 23.02 10.25 10.90 3 0 16.37 -999 ? C6 PG4 A 161 >ILE.A 128 24.07 7.80 3.26 23.15 7.22 2.45 23.61 7.51 2.86 3 0 12.13 -999 ? C6 PG4 A 161 >GLN.A 129 29.45 8.76 6.02 30.93 8.93 7.56 30.19 8.84 6.79 2 0 9.88 -999 ? C5 PG4 A 161 >VAL^A 130 29.20 4.59 1.62 30.43 2.81 2.02 29.82 3.70 1.82 3 0 5.10 -999 ? C6 PG4 A 161 >LEU^A 131 26.56 6.55 -1.65 24.76 7.48 -2.48 25.66 7.01 -2.07 3 0 10.81 -999 ? C8 PG4 A 161 >ASN^A 132 24.83 1.09 -3.04 24.35 -0.35 -4.56 24.59 0.37 -3.80 2 0 6.72 -999 ? O2 GOL A 158 >ILE^A 133 25.02 4.93 -7.46 25.19 6.36 -7.71 25.11 5.64 -7.58 3 0 8.10 -999 ? O2 GOL A 158 >ALA^A 134 22.04 1.62 -9.06 21.28 0.57 -8.18 21.66 1.10 -8.62 2 0 -3.38 -999 ? O2 GOL A 158s >GLY.A 135 19.82 1.87 -12.09 20.38 1.25 -12.23 20.10 1.56 -12.16 1 0 -4.10 -999 ? O2 GOL A 158s >PRO.A 136 17.23 1.94 -15.53 19.11 0.90 -14.96 18.17 1.42 -15.25 3 0 5.27 -999 ? O1 GOL A 158 >ARG.A 137 20.94 -4.28 -19.52 19.14 -5.26 -21.83 20.04 -4.77 -20.67 2 0 9.94 -999 ? O1 GOL A 158 >ALA.A 138 22.50 1.36 -21.04 23.91 1.67 -21.57 23.21 1.51 -21.31 2 0 -3.61 -999 ? O3S MES A 160s >GLY.A 139 20.76 -1.04 -23.39 20.46 -0.66 -22.75 20.61 -0.85 -23.07 1 0 7.70 -999 ? O3S MES A 160 >LYS.A 140 17.51 -0.33 -21.57 13.76 -4.53 -21.38 15.64 -2.43 -21.47 2 0 11.29 -999 ? O1 GOL A 158 >ASP.A 141 17.62 3.88 -19.87 17.20 5.95 -19.73 17.41 4.91 -19.80 2 0 10.35 -999 ? O2S MES A 160 >PRO.A 142 18.89 4.50 -25.32 19.81 4.91 -23.33 19.35 4.70 -24.33 3 0 8.66 -999 ? O3S MES A 160 >GLU~A 143 18.43 9.78 -22.98 16.69 11.03 -23.04 17.56 10.41 -23.01 2 0 13.40 -999 ? C3 MES A 160 >ILE~A 144 20.23 5.63 -17.52 20.13 5.60 -16.72 20.18 5.61 -17.12 3 0 7.83 -999 ? O2S MES A 160 >TYR~A 145 27.00 6.91 -18.90 29.63 7.54 -18.31 28.31 7.22 -18.61 3 0 -3.71 -999 ? C8 MES A 160s >GLN~A 146 25.28 12.97 -20.19 27.35 12.99 -19.60 26.31 12.98 -19.90 2 0 6.37 -999 ? C2 MES A 160 >ALA~A 147 21.76 11.68 -16.70 20.38 11.06 -16.81 21.07 11.37 -16.75 2 0 10.87 -999 ? O2S MES A 160 >THR~A 148 23.48 9.94 -13.77 23.58 7.92 -13.08 23.53 8.93 -13.43 2 0 8.92 -999 ? O2S MES A 160 >MET?A 149 26.70 11.88 -14.43 30.11 12.16 -14.43 28.41 12.02 -14.43 2 0 8.62 -999 ? O1 MES A 160 >ASP~A 150 23.79 15.53 -15.72 24.55 15.63 -17.68 24.17 15.58 -16.70 2 0 10.59 -999 ? C2 MES A 160 >LEU~A 151 21.88 13.26 -11.25 20.39 13.14 -9.70 21.13 13.20 -10.47 3 0 10.45 -999 ? O3 GOL A 159 >LEU~A 152 26.77 12.26 -9.61 26.21 10.29 -8.81 26.49 11.27 -9.21 3 0 13.26 -999 ? O2 GOL A 158 >GLU~A 153 29.01 16.19 -12.77 31.07 16.67 -12.26 30.04 16.43 -12.52 2 0 12.84 -999 ? O1 MES A 160 >VAL~A 154 24.93 18.85 -9.19 23.08 19.75 -10.02 24.00 19.30 -9.61 3 0 15.56 -999 ? O3 GOL A 159 >PHE~A 155 24.59 14.59 -4.64 25.00 13.28 -2.21 24.79 13.93 -3.42 3 0 14.67 -999 ? O3 GOL A 159 >LEU~A 156 29.16 15.20 -5.25 28.77 13.80 -3.68 28.96 14.50 -4.46 3 0 16.31 -999 ? O3 PG4 A 161 >ALA~A 157 30.41 18.98 -7.72 30.75 18.44 -9.10 30.58 18.71 -8.41 2 0 16.42 -999 ? O1 MES A 160