REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 03-JUN-08 3DCA COMPND RPA0582; COMPND 3 CHAIN: A, B, C, D; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHODOPSEUDOMONAS PALUSTRIS; SOURCE 3 ORGANISM_TAXID: 1076; SOURCE 4 GENE: RPA0582; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: BL21-CODONPLUS(DE3)-RP; SOURCE 7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: P15TV LIC AUTHOR P.SLEDZ,S.WANG,M.CHRUSZCZ,V.YIM,M.KUDRITSKA,E.EVDOKIMOVA, AUTHOR 2 D.TURK,A.SAVCHENKO,A.EDWARDS,A.JOACHIMIAK,W.MINOR,MIDWEST AUTHOR 3 CENTER FOR STRUCTURAL GENOMICS (MCSG) HET MSE A 26 8 HET MSE A 77 8 HET MSE A 103 8 HET MSE B 26 8 HET MSE B 77 8 HET MSE B 103 8 HET MSE C 26 8 HET MSE C 77 8 HET MSE C 103 8 HET MSE D 26 8 HET MSE D 77 8 HET MSE D 103 8 HET SO4 A 143 5 HET SO4 D 143 5 HET SO4 B 143 5 HET SO4 C 143 5 HET SO4 A 144 5 HET SO4 D 144 5 SITE 1 AC1 1 ARG A 105 SITE 1 AC2 3 ARG B 105 ARG C 105 ARG D 105 SITE 1 AC3 6 ILE A 79 TYR B 53 ILE B 104 TYR B 109 SITE 1 AC4 5 TYR C 53 ILE C 104 TYR C 109 ARG C 116 SITE 1 AC5 3 TYR A 53 TYR A 109 ARG A 116 SITE 1 AC6 7 ILE C 79 PRO D 7 TYR D 53 ILE D 104 >THR.A 2 -29.96 -9.32 -59.20 -31.87 -9.64 -58.08 -30.91 -9.48 -58.64 2 0 18.21 -999 ? O2 SO4 A 144 >GLY.A 3 -26.96 -11.61 -58.42 -26.74 -10.80 -58.66 -26.85 -11.21 -58.54 1 0 13.19 -999 ? O2 SO4 A 144 >HIS.A 4 -24.83 -8.79 -55.31 -26.48 -7.53 -55.03 -25.66 -8.16 -55.17 3 0 12.54 -999 ? O2 SO4 A 144 >ILE.A 5 -20.61 -12.68 -59.66 -20.78 -13.53 -60.77 -20.69 -13.11 -60.21 3 0 7.91 -999 ? O2 SO4 A 144 >ASP.A 6 -17.03 -9.90 -59.39 -15.67 -11.55 -59.57 -16.35 -10.73 -59.48 2 0 4.29 -999 ? O2 SO4 A 144 >PRO.A 7 -14.77 -7.29 -56.12 -16.96 -7.21 -56.53 -15.86 -7.25 -56.32 3 0 5.06 -999 ? O4 SO4 A 144 >THR~A 8 -17.28 -2.99 -57.53 -18.97 -1.58 -57.53 -18.12 -2.28 -57.53 2 0 11.60 -999 ? O4 SO4 A 144 >VAL~A 11 -16.07 -0.47 -53.28 -17.79 -1.54 -52.56 -16.93 -1.00 -52.92 3 0 11.04 -999 ? O4 SO4 A 144 >PHE~A 12 -11.30 -4.02 -54.66 -9.37 -6.04 -54.19 -10.33 -5.03 -54.43 3 0 6.72 -999 ? O4 SO4 A 144 >ALA~A 13 -11.03 1.19 -53.21 -11.32 2.53 -53.87 -11.18 1.86 -53.54 2 0 10.49 -999 ? O4 SO4 A 143 >GLN~A 14 -15.19 2.73 -50.36 -17.26 2.40 -50.12 -16.22 2.56 -50.24 2 0 14.96 -999 ? O4 SO4 A 144 >PHE~A 15 -10.95 -4.24 -49.25 -9.91 -6.57 -48.17 -10.43 -5.41 -48.71 3 0 8.78 -999 ? O4 SO4 A 144 >ARG~A 16 -6.42 -1.41 -53.48 -8.25 -0.17 -55.74 -7.33 -0.79 -54.61 2 0 7.09 -999 ? O4 SO4 A 143 >ALA~A 17 -8.50 2.63 -48.33 -9.78 3.40 -48.54 -9.14 3.01 -48.44 2 0 11.18 -999 ? O3 SO4 A 143 >ASN~A 18 -10.24 0.30 -44.58 -10.45 0.03 -42.48 -10.35 0.17 -43.53 2 0 14.74 -999 ? O3 SO4 A 143 >ASP~A 19 -4.81 -0.43 -45.09 -4.19 1.58 -44.76 -4.50 0.58 -44.93 2 0 9.32 -999 ? O3 SO4 A 143 >GLU.A 21 -0.72 -3.85 -38.37 1.20 -3.17 -37.67 0.24 -3.51 -38.02 2 0 15.70 -999 ? O3 SO4 A 143 >GLY.A 22 -4.78 -6.27 -37.94 -4.51 -6.35 -38.81 -4.65 -6.31 -38.38 1 0 16.95 -999 ? O3 SO4 A 143 >PRO.A 23 -6.23 -10.41 -37.41 -5.70 -8.99 -38.98 -5.96 -9.70 -38.19 3 0 17.50 -999 ? O3 SO4 A 144 >ILE^A 24 -9.13 -8.88 -42.71 -8.40 -8.05 -43.75 -8.76 -8.46 -43.23 3 0 12.39 -999 ? O3 SO4 A 144 >HIS^A 25 -11.71 -13.12 -39.26 -10.51 -14.26 -37.98 -11.11 -13.69 -38.62 3 0 15.33 -999 ? O3 SO4 A 144 >MET?A 26 -13.68 -12.71 -44.80 -12.54 -10.13 -46.33 -13.11 -11.42 -45.57 2 0 8.17 -999 ? O3 SO4 A 144 >LEU^A 27 -18.33 -13.57 -43.40 -19.60 -15.04 -42.40 -18.96 -14.31 -42.90 3 0 12.54 -999 ? O3 SO4 A 144 >ASN^A 28 -16.89 -16.73 -48.03 -15.45 -15.63 -49.10 -16.17 -16.18 -48.56 2 0 5.85 -999 ? O3 SO4 A 144 >LEU^A 29 -22.74 -16.06 -47.79 -23.13 -16.24 -45.71 -22.93 -16.15 -46.75 3 0 12.60 -999 ? O3 SO4 A 144 >VAL^A 30 -21.67 -18.55 -51.81 -19.91 -19.03 -52.98 -20.79 -18.79 -52.40 3 0 9.50 -999 ? O2 SO4 A 144 >ARG^A 31 -28.34 -19.08 -54.16 -31.37 -19.31 -54.53 -29.86 -19.19 -54.34 2 0 18.44 -999 ? O2 SO4 A 144 >LEU^A 32 -22.87 -23.21 -56.70 -20.90 -23.58 -56.20 -21.88 -23.39 -56.45 3 0 13.01 -999 ? O2 SO4 A 144 >ARG.A 33 -23.87 -19.79 -62.56 -25.07 -17.50 -64.22 -24.47 -18.65 -63.39 2 0 14.53 -999 ? O2 SO4 A 144 >PRO.A 34 -28.66 -24.65 -61.03 -26.44 -24.73 -61.23 -27.55 -24.69 -61.13 3 0 18.60 -999 ? O2 SO4 A 144 >ALA.A 36 -21.80 -23.20 -64.94 -20.49 -23.93 -64.87 -21.15 -23.56 -64.91 2 0 15.56 -999 ? O2 SO4 A 144 >ALA.A 37 -21.52 -20.14 -67.23 -22.17 -18.90 -66.63 -21.84 -19.52 -66.93 2 0 14.72 -999 ? O2 SO4 A 144 >TYR.A 38 -16.70 -22.25 -67.94 -15.43 -23.18 -65.64 -16.06 -22.71 -66.79 3 0 14.78 -999 ? O2 SO4 A 144 >PRO.A 39 -16.66 -17.00 -71.02 -17.97 -18.76 -71.63 -17.32 -17.88 -71.33 3 0 16.56 -999 ? O2 SO4 A 144 >THR.A 44 -19.66 -28.20 -66.66 -18.27 -27.35 -65.23 -18.96 -27.78 -65.94 2 0 17.66 -999 ? O2 SO4 A 144 >THR~A 45 -21.80 -28.00 -63.44 -21.81 -29.87 -62.31 -21.80 -28.94 -62.87 2 0 19.66 -999 ? O2 SO4 A 144 >GLY~A 46 -21.55 -25.23 -60.92 -21.27 -26.00 -60.84 -21.41 -25.61 -60.88 1 0 15.21 -999 ? O2 SO4 A 144 >ALA~A 47 -20.01 -27.26 -58.13 -20.71 -28.33 -57.33 -20.36 -27.79 -57.73 2 0 16.78 -999 ? O2 SO4 A 144 >ALA~A 49 -16.58 -25.11 -61.64 -17.54 -24.21 -62.36 -17.06 -24.66 -62.00 2 0 13.44 -999 ? O2 SO4 A 144 >TYR~A 50 -17.02 -22.92 -55.80 -16.50 -21.12 -53.71 -16.76 -22.02 -54.76 3 0 9.48 -999 ? O2 SO4 A 144 >ALA~A 51 -14.01 -26.76 -57.04 -14.36 -28.23 -57.07 -14.19 -27.49 -57.06 2 0 15.30 -999 ? O2 SO4 A 144 >ALA~A 52 -11.72 -25.66 -59.91 -12.17 -25.25 -61.29 -11.94 -25.45 -60.60 2 0 13.56 -999 ? O1 SO4 A 144 >TYR~A 53 -12.36 -20.17 -57.07 -12.12 -17.94 -55.35 -12.24 -19.06 -56.21 3 0 -6.23 -999 ? O1 SO4 A 144s >GLY~A 54 -10.62 -23.90 -55.03 -10.24 -23.97 -55.76 -10.43 -23.94 -55.39 1 0 10.88 -999 ? O3 SO4 A 144 >SER~A 57 -6.80 -20.45 -55.49 -8.90 -20.69 -54.19 -7.85 -20.57 -54.84 2 0 8.38 -999 ? O3 SO4 A 144 >GLY~A 58 -5.42 -22.38 -52.44 -5.01 -21.99 -53.08 -5.21 -22.19 -52.76 1 0 11.83 -999 ? O3 SO4 A 144 >PRO~A 59 -2.39 -23.99 -55.11 -2.42 -22.55 -53.40 -2.41 -23.27 -54.25 3 0 14.07 -999 ? O1 SO4 A 144 >VAL~A 60 -1.69 -18.66 -53.82 -2.20 -17.21 -55.39 -1.95 -17.94 -54.60 3 0 11.10 -999 ? O1 SO4 A 144 >ARG~A 63 3.48 -17.73 -53.01 2.56 -18.16 -55.90 3.02 -17.95 -54.46 2 0 15.25 -999 ? O1 SO4 A 144 >LEU~A 64 -0.46 -14.30 -49.81 0.32 -13.13 -51.44 -0.07 -13.71 -50.63 3 0 12.79 -999 ? O1 SO4 A 144 >GLY~A 65 -0.81 -16.54 -45.55 -1.38 -16.42 -46.08 -1.10 -16.48 -45.82 1 0 15.00 -999 ? O3 SO4 A 144 >GLY.A 66 -4.57 -16.85 -45.97 -3.95 -17.44 -45.78 -4.26 -17.15 -45.88 1 0 11.99 -999 ? O3 SO4 A 144 >VAL^A 68 -9.73 -20.91 -43.77 -11.19 -21.77 -45.11 -10.46 -21.34 -44.44 3 0 12.59 -999 ? O3 SO4 A 144 >VAL^A 69 -10.53 -20.62 -40.07 -10.26 -18.96 -38.77 -10.40 -19.79 -39.42 3 0 16.00 -999 ? O3 SO4 A 144 >TRP^A 70 -16.90 -22.30 -37.81 -19.32 -20.58 -40.33 -18.11 -21.44 -39.07 3 0 17.42 -999 ? O1 SO4 B 143 >GLN^A 71 -16.17 -25.27 -44.16 -14.90 -25.88 -45.79 -15.54 -25.58 -44.98 2 0 15.04 -999 ? O3 SO4 A 144 >GLY^A 72 -20.03 -25.00 -41.82 -19.89 -24.74 -42.59 -19.96 -24.87 -42.21 1 0 18.20 -999 ? O3 SO4 A 144 >GLN^A 73 -22.95 -28.80 -45.12 -22.83 -30.89 -45.09 -22.89 -29.84 -45.10 2 0 21.93 -999 ? O1 SO4 B 143 >PHE^A 74 -27.63 -23.58 -45.68 -30.00 -22.22 -45.43 -28.82 -22.90 -45.55 3 0 15.69 -999 ? O1 SO4 B 143 >GLU^A 75 -27.32 -28.16 -41.15 -27.46 -29.30 -39.37 -27.39 -28.73 -40.26 2 0 15.61 -999 ? O1 SO4 B 143 >LEU^A 76 -32.38 -24.61 -41.05 -34.56 -24.68 -41.06 -33.47 -24.64 -41.06 3 0 12.08 -999 ? O1 SO4 B 143 >MET?A 77 -32.53 -20.48 -42.52 -31.50 -17.41 -43.62 -32.01 -18.95 -43.07 2 0 12.04 -999 ? O1 SO4 B 143 >LEU^A 78 -33.61 -20.51 -37.80 -34.85 -21.31 -36.24 -34.23 -20.91 -37.02 3 0 6.67 -999 ? O1 SO4 B 143 >ILE^A 79 -34.14 -15.29 -38.26 -34.51 -14.35 -37.20 -34.32 -14.82 -37.73 3 0 -5.61 -999 ? O4 SO4 B 143s >GLY.A 80 -34.45 -14.82 -42.88 -35.12 -15.28 -42.74 -34.79 -15.05 -42.81 1 0 10.67 -999 ? O4 SO4 B 143 >PRO.A 81 -34.26 -13.84 -47.06 -35.67 -15.00 -45.75 -34.96 -14.42 -46.41 3 0 14.18 -999 ? O4 SO4 B 143 >GLU.A 84 -31.42 -15.01 -48.88 -30.52 -13.69 -47.48 -30.97 -14.35 -48.18 2 0 16.09 -999 ? O4 SO4 B 143 >HIS.A 85 -30.61 -22.54 -50.80 -30.08 -23.48 -52.60 -30.35 -23.01 -51.70 3 0 19.53 -999 ? O2 SO4 A 144 >TRP.A 86 -26.75 -18.16 -47.18 -26.22 -15.89 -50.28 -26.49 -17.03 -48.73 3 0 14.84 -999 ? O2 SO4 A 144 >ASP.A 87 -24.08 -23.89 -52.28 -25.98 -23.94 -53.28 -25.03 -23.92 -52.78 2 0 16.37 -999 ? O2 SO4 A 144 >HIS^A 88 -19.41 -23.70 -50.63 -19.06 -25.44 -51.74 -19.24 -24.57 -51.19 3 0 13.17 -999 ? O3 SO4 A 144 >VAL^A 89 -20.31 -20.77 -45.75 -22.05 -20.38 -44.55 -21.18 -20.58 -45.15 3 0 14.02 -999 ? O3 SO4 A 144 >PHE^A 90 -15.59 -20.32 -46.66 -15.01 -19.21 -49.13 -15.30 -19.77 -47.89 3 0 9.08 -999 ? O3 SO4 A 144 >ILE^A 91 -14.65 -17.17 -41.41 -15.07 -16.37 -40.33 -14.86 -16.77 -40.87 3 0 13.56 -999 ? O3 SO4 A 144 >ALA^A 92 -11.03 -17.01 -44.40 -10.83 -16.77 -45.85 -10.93 -16.89 -45.13 2 0 8.94 -999 ? O3 SO4 A 144 >GLU^A 93 -7.12 -14.73 -40.22 -6.51 -15.48 -38.33 -6.82 -15.11 -39.28 2 0 16.91 -999 ? O3 SO4 A 144 >TYR^A 94 -6.64 -13.05 -46.22 -7.76 -14.65 -48.21 -7.20 -13.85 -47.22 3 0 8.75 -999 ? O3 SO4 A 144 >PRO.A 95 -1.42 -12.25 -43.50 -3.32 -11.74 -42.42 -2.37 -11.99 -42.96 3 0 15.20 -999 ? O3 SO4 A 144 >SER~A 96 -3.37 -8.01 -43.65 -1.22 -8.50 -44.63 -2.30 -8.26 -44.14 2 0 11.97 -999 ? O3 SO4 A 143 >VAL~A 97 -5.51 -6.08 -46.07 -6.14 -4.11 -46.66 -5.82 -5.09 -46.36 3 0 10.11 -999 ? O3 SO4 A 143 >ALA~A 98 -2.28 -5.96 -48.06 -1.01 -5.38 -47.55 -1.65 -5.67 -47.81 2 0 7.69 -999 ? O3 SO4 A 143 >ALA~A 99 -1.93 -9.72 -48.15 -1.98 -10.63 -46.99 -1.95 -10.17 -47.57 2 0 12.34 -999 ? O3 SO4 A 143 >PHE~A 100 -7.93 -9.84 -49.53 -10.27 -10.60 -50.77 -9.10 -10.22 -50.15 3 0 6.15 -999 ? O3 SO4 A 144 >VAL~A 101 -4.85 -7.33 -52.26 -4.72 -5.19 -52.57 -4.78 -6.26 -52.42 3 0 7.79 -999 ? O4 SO4 A 143 >GLU~A 102 0.50 -7.80 -52.33 1.48 -7.32 -54.15 0.99 -7.56 -53.24 2 0 6.25 -999 ? O2 SO4 A 143 >MET?A 103 -3.58 -12.18 -53.91 -6.47 -14.96 -52.07 -5.03 -13.57 -52.99 2 0 6.79 -999 ? O1 SO4 A 144 >ILE~A 104 -7.05 -9.25 -55.81 -8.62 -9.45 -56.04 -7.83 -9.35 -55.93 3 0 5.26 -999 ? O1 SO4 A 144 >ARG~A 105 -2.35 -6.14 -56.53 -1.67 -3.23 -55.89 -2.01 -4.68 -56.21 2 0 -3.40 -999 ? O2 SO4 A 143s >ASP~A 106 -1.52 -13.69 -57.64 -0.17 -15.26 -58.11 -0.85 -14.48 -57.87 2 0 12.04 -999 ? O1 SO4 A 144 >PRO~A 107 0.76 -13.41 -62.11 -1.43 -13.65 -61.66 -0.33 -13.53 -61.88 3 0 12.95 -999 ? O1 SO4 A 144 >VAL~A 108 -2.52 -17.45 -61.03 -1.25 -19.03 -60.28 -1.88 -18.24 -60.65 3 0 12.24 -999 ? O1 SO4 A 144 >TYR~A 109 -6.75 -14.98 -57.08 -9.23 -14.83 -55.76 -7.99 -14.91 -56.42 3 0 -4.32 -999 ? O1 SO4 A 144s >ARG~A 110 -5.34 -10.15 -62.79 -6.53 -7.77 -61.10 -5.94 -8.96 -61.95 2 0 9.02 -999 ? O1 SO4 A 144 >ALA~A 112 -8.53 -19.02 -61.45 -7.81 -19.57 -60.27 -8.17 -19.30 -60.86 2 0 8.97 -999 ? O1 SO4 A 144 >VAL~A 113 -11.23 -16.51 -60.53 -11.58 -14.37 -60.32 -11.40 -15.44 -60.42 3 0 5.31 -999 ? O1 SO4 A 144 >HIS~A 115 -12.02 -22.09 -63.05 -10.87 -23.08 -64.49 -11.44 -22.58 -63.77 3 0 12.57 -999 ? O1 SO4 A 144 >ARG~A 116 -15.10 -15.79 -56.97 -17.08 -15.40 -54.64 -16.09 -15.59 -55.81 2 0 -4.02 -999 ? O2 SO4 A 144s >GLN~A 117 -15.31 -14.05 -62.30 -15.74 -12.08 -63.05 -15.52 -13.06 -62.67 2 0 7.45 -999 ? O2 SO4 A 144 >ALA~A 118 -18.62 -18.87 -63.93 -17.82 -19.69 -64.92 -18.22 -19.28 -64.42 2 0 11.89 -999 ? O2 SO4 A 144 >ALA~A 119 -19.83 -20.98 -60.94 -18.82 -21.72 -60.09 -19.33 -21.35 -60.52 2 0 10.81 -999 ? O2 SO4 A 144 >VAL^A 120 -21.53 -18.44 -58.68 -20.61 -17.26 -57.10 -21.07 -17.85 -57.89 3 0 8.75 -999 ? O2 SO4 A 144 >ASP^A 122 -26.38 -14.95 -55.49 -26.55 -13.14 -54.41 -26.46 -14.05 -54.95 2 0 12.53 -999 ? O2 SO4 A 144 >SER^A 123 -22.60 -14.46 -53.14 -20.58 -13.47 -54.13 -21.59 -13.97 -53.64 2 0 6.72 -999 ? O2 SO4 A 144 >ARG^A 124 -24.33 -10.81 -49.97 -27.29 -10.97 -50.73 -25.81 -10.89 -50.35 2 0 14.28 -999 ? O2 SO4 A 144 >LEU^A 125 -17.25 -11.47 -50.12 -15.13 -11.85 -49.94 -16.19 -11.66 -50.03 3 0 5.31 -999 ? O3 SO4 A 144 >ILE^A 126 -19.09 -9.66 -44.66 -20.28 -9.49 -43.99 -19.69 -9.58 -44.33 3 0 12.27 -999 ? O3 SO4 A 144 >ARG^A 127 -11.94 -5.59 -44.73 -9.98 -3.22 -44.81 -10.96 -4.40 -44.77 2 0 13.13 -999 ? O4 SO4 A 144 >LEU^A 128 -15.49 -9.56 -39.99 -17.64 -9.83 -40.02 -16.56 -9.69 -40.01 3 0 14.77 -999 ? O3 SO4 A 144 >PRO^A 130 -10.11 -10.60 -36.19 -12.12 -9.76 -35.99 -11.11 -10.18 -36.09 3 0 18.12 -999 ? O3 SO4 A 144 >LEU.A 131 -14.25 -8.95 -31.48 -14.97 -6.99 -32.09 -14.61 -7.97 -31.79 3 0 19.91 -999 ? O3 SO4 B 143 >PRO.A 133 -13.77 -15.70 -28.37 -14.89 -13.72 -28.09 -14.33 -14.71 -28.23 3 0 19.20 -999 ? O3 SO4 B 143 >THR.B 2 -39.53 -6.40 -45.37 -38.32 -5.68 -47.08 -38.93 -6.04 -46.22 2 0 17.89 -999 ? O4 SO4 B 143 >GLY.B 3 -37.57 -7.00 -42.12 -38.24 -7.55 -42.24 -37.90 -7.27 -42.18 1 0 13.05 -999 ? O4 SO4 B 143 >HIS.B 4 -36.65 -11.59 -42.75 -37.16 -11.61 -44.78 -36.90 -11.60 -43.76 3 0 12.16 -999 ? O4 SO4 B 143 >ILE.B 5 -37.94 -9.38 -36.02 -38.35 -8.20 -35.40 -38.14 -8.79 -35.71 3 0 7.83 -999 ? O4 SO4 B 143 >PRO.B 7 -38.17 -18.01 -34.97 -38.54 -16.61 -36.66 -38.35 -17.31 -35.82 3 0 4.98 -999 ? O4 SO4 B 143 >THR~B 8 -41.80 -18.78 -38.57 -42.62 -18.74 -40.63 -42.21 -18.76 -39.60 2 0 11.51 -999 ? O4 SO4 B 143 >VAL~B 11 -39.82 -23.15 -40.22 -38.62 -21.76 -41.37 -39.22 -22.45 -40.80 3 0 11.74 -999 ? O4 SO4 B 143 >PHE~B 12 -38.85 -22.86 -34.18 -37.31 -22.89 -31.83 -38.08 -22.88 -33.01 3 0 7.54 -999 ? O2 SO4 B 143 >ALA~B 13 -40.70 -27.10 -36.86 -42.02 -27.46 -37.43 -41.36 -27.28 -37.15 2 0 14.73 -999 ? O4 SO4 B 143 >GLN~B 14 -39.27 -27.16 -41.97 -38.88 -25.85 -43.57 -39.08 -26.50 -42.77 2 0 15.83 -999 ? O4 SO4 B 143 >PHE~B 15 -34.31 -25.50 -35.60 -32.10 -25.06 -34.01 -33.21 -25.28 -34.81 3 0 8.85 -999 ? O1 SO4 B 143 >ARG~B 16 -38.88 -27.54 -31.81 -41.46 -26.26 -32.84 -40.17 -26.90 -32.32 2 0 11.89 -999 ? O2 SO4 B 143 >ALA~B 17 -37.54 -31.93 -37.13 -38.17 -31.60 -38.47 -37.85 -31.76 -37.80 2 0 15.77 -999 ? O3 SO4 C 143 >ASN~B 18 -33.15 -31.15 -38.74 -31.26 -31.81 -39.47 -32.20 -31.48 -39.11 2 0 16.85 -999 ? O1 SO4 B 143 >ASP~B 19 -33.12 -33.55 -33.77 -33.99 -35.40 -34.30 -33.56 -34.47 -34.04 2 0 18.30 -999 ? O4 SO4 C 143 >ARG.B 20 -28.08 -31.93 -37.17 -25.77 -30.10 -36.52 -26.93 -31.02 -36.84 2 0 15.85 -999 ? O1 SO4 B 143 >GLU.B 21 -25.65 -36.78 -31.08 -25.44 -38.67 -30.05 -25.54 -37.72 -30.56 2 0 23.11 -999 ? O1 SO4 B 143 >GLY.B 22 -23.91 -33.04 -33.41 -24.58 -32.74 -32.84 -24.25 -32.89 -33.13 1 0 18.66 -999 ? O1 SO4 B 143 >PRO.B 23 -21.10 -29.68 -32.79 -23.21 -30.22 -32.50 -22.16 -29.95 -32.64 3 0 17.09 -999 ? O1 SO4 B 143 >ILE^B 24 -26.32 -26.55 -34.15 -27.61 -27.03 -33.56 -26.97 -26.79 -33.85 3 0 11.84 -999 ? O1 SO4 B 143 >HIS^B 25 -21.07 -23.85 -35.41 -19.35 -24.38 -34.35 -20.21 -24.12 -34.88 3 0 15.20 -999 ? O1 SO4 B 143 >MET?B 26 -25.77 -20.36 -35.32 -28.50 -22.03 -35.12 -27.14 -21.19 -35.22 2 0 7.72 -999 ? O1 SO4 B 143 >LEU^B 27 -24.14 -17.76 -39.18 -22.48 -16.53 -39.89 -23.31 -17.15 -39.54 3 0 12.65 -999 ? O1 SO4 B 143 >ASN^B 28 -26.13 -14.30 -34.98 -27.64 -15.35 -33.98 -26.89 -14.83 -34.48 2 0 6.27 -999 ? O1 SO4 B 143 >LEU^B 29 -26.30 -11.48 -40.12 -24.50 -12.08 -41.10 -25.40 -11.78 -40.61 3 0 12.83 -999 ? O3 SO4 B 143 >ARG^B 31 -29.77 -3.23 -41.15 -29.97 -1.14 -43.37 -29.87 -2.18 -42.26 2 0 18.67 -999 ? O3 SO4 B 143 >LEU^B 32 -29.42 -2.48 -33.89 -28.79 -3.64 -32.27 -29.10 -3.06 -33.08 3 0 12.54 -999 ? O3 SO4 B 143 >PRO.B 34 -32.13 3.88 -36.49 -32.25 2.75 -34.58 -32.19 3.31 -35.53 3 0 18.59 -999 ? O3 SO4 B 143 >ALA.B 36 -36.16 0.81 -30.25 -35.69 0.51 -28.85 -35.93 0.66 -29.55 2 0 15.50 -999 ? O3 SO4 B 143 >ALA.B 37 -39.81 -0.30 -30.70 -40.06 -1.01 -32.03 -39.94 -0.66 -31.36 2 0 15.00 -999 ? O4 SO4 B 143 >TYR.B 38 -39.16 -1.36 -25.55 -36.72 -2.58 -24.85 -37.94 -1.97 -25.20 3 0 14.69 -999 ? O3 SO4 B 143 >PRO.B 39 -44.71 -3.42 -26.95 -44.21 -1.21 -26.99 -44.46 -2.31 -26.97 3 0 16.65 -999 ? O4 SO4 B 143 >ASP.B 40 -43.78 0.22 -22.46 -41.58 0.49 -22.48 -42.68 0.36 -22.47 2 0 19.23 -999 ? O3 SO4 B 143 >THR.B 44 -34.68 3.68 -25.59 -34.22 1.55 -25.39 -34.45 2.62 -25.49 2 0 17.17 -999 ? O3 SO4 B 143 >THR~B 45 -32.15 3.30 -28.50 -30.16 3.99 -27.97 -31.16 3.64 -28.24 2 0 19.16 -999 ? O3 SO4 B 143 >GLY~B 46 -31.72 0.12 -30.45 -31.20 0.44 -29.90 -31.46 0.28 -30.18 1 0 14.89 -999 ? O3 SO4 B 143 >ALA~B 47 -28.27 -0.74 -29.18 -27.01 0.02 -29.50 -27.64 -0.36 -29.34 2 0 16.06 -999 ? O3 SO4 B 143 >ALA~B 49 -32.35 -2.52 -26.22 -33.46 -2.20 -27.19 -32.90 -2.36 -26.70 2 0 13.03 -999 ? O3 SO4 B 143 >TYR~B 50 -28.86 -6.46 -29.54 -28.19 -8.94 -30.67 -28.52 -7.70 -30.10 3 0 8.52 -999 ? O3 SO4 B 143 >ALA~B 51 -27.66 -5.07 -24.87 -26.86 -3.86 -24.42 -27.26 -4.47 -24.64 2 0 14.20 -999 ? O3 SO4 B 143 >ALA~B 52 -30.63 -5.77 -22.55 -31.99 -5.14 -22.65 -31.31 -5.45 -22.60 2 0 12.72 -999 ? O3 SO4 B 143 >TYR~B 53 -31.48 -10.38 -26.62 -31.39 -12.81 -28.05 -31.44 -11.60 -27.33 3 0 -5.12 -999 ? O3 SO4 B 143s >GLY~B 54 -27.67 -9.86 -24.13 -28.21 -9.68 -23.54 -27.94 -9.77 -23.84 1 0 10.09 -999 ? O3 SO4 B 143 >ASP~B 56 -31.99 -10.80 -20.20 -32.34 -8.92 -19.23 -32.16 -9.86 -19.71 2 0 13.10 -999 ? O3 SO4 B 143 >GLY~B 58 -26.42 -15.09 -21.47 -27.08 -15.28 -21.15 -26.75 -15.18 -21.31 1 0 11.75 -999 ? O3 SO4 B 143 >PRO~B 59 -27.68 -14.54 -17.35 -27.13 -16.28 -18.63 -27.41 -15.41 -17.99 3 0 14.27 -999 ? O3 SO4 B 143 >VAL~B 60 -29.69 -19.09 -19.72 -31.79 -19.00 -20.28 -30.74 -19.04 -20.00 3 0 11.30 -999 ? O2 SO4 B 143 >ARG~B 63 -29.55 -23.06 -16.16 -31.68 -20.91 -15.81 -30.62 -21.99 -15.98 2 0 15.34 -999 ? O2 SO4 B 143 >LEU~B 64 -28.96 -24.60 -22.11 -30.96 -25.06 -21.44 -29.96 -24.83 -21.78 3 0 12.83 -999 ? O2 SO4 B 143 >GLY~B 65 -24.17 -24.90 -22.77 -24.68 -24.41 -23.11 -24.42 -24.65 -22.94 1 0 15.01 -999 ? O1 SO4 B 143 >GLY.B 66 -24.34 -22.33 -25.56 -23.85 -22.38 -24.83 -24.10 -22.35 -25.20 1 0 12.08 -999 ? O1 SO4 B 143 >VAL^B 68 -20.19 -17.67 -28.60 -20.79 -15.64 -28.97 -20.49 -16.65 -28.78 3 0 13.10 -999 ? O1 SO4 B 143 >VAL^B 69 -17.36 -19.16 -30.62 -17.31 -21.03 -31.62 -17.33 -20.10 -31.12 3 0 16.23 -999 ? O1 SO4 B 143 >TRP^B 70 -14.58 -15.37 -35.76 -17.61 -13.96 -37.71 -16.09 -14.66 -36.74 3 0 17.45 -999 ? O3 SO4 A 144 >GLN^B 71 -18.03 -10.89 -31.67 -19.01 -10.47 -29.82 -18.52 -10.68 -30.75 2 0 14.98 -999 ? O3 SO4 B 143 >GLY^B 72 -16.27 -9.90 -35.71 -17.04 -9.80 -35.46 -16.66 -9.85 -35.58 1 0 18.35 -999 ? O3 SO4 B 143 >GLN^B 73 -16.76 -4.13 -35.22 -15.53 -2.84 -34.14 -16.15 -3.49 -34.68 2 0 21.61 -999 ? O3 SO4 B 143 >PHE^B 74 -20.28 -4.64 -41.30 -20.86 -4.28 -43.96 -20.57 -4.46 -42.63 3 0 15.81 -999 ? O4 SO4 A 144 >GLU^B 75 -13.87 -3.92 -40.43 -11.73 -3.97 -40.53 -12.80 -3.95 -40.48 2 0 16.04 -999 ? O4 SO4 A 144 >LEU^B 76 -15.88 -3.41 -46.26 -15.83 -2.08 -47.98 -15.85 -2.75 -47.12 3 0 11.74 -999 ? O4 SO4 A 144 >MET?B 77 -19.46 -5.36 -47.82 -22.15 -7.51 -48.02 -20.81 -6.44 -47.92 2 0 11.94 -999 ? O4 SO4 A 144 >LEU^B 78 -15.61 -6.95 -50.26 -13.89 -6.43 -51.42 -14.75 -6.69 -50.84 3 0 6.22 -999 ? O4 SO4 A 144 >ILE^B 79 -19.01 -9.88 -53.06 -18.67 -10.77 -54.14 -18.84 -10.32 -53.60 3 0 5.88 -999 ? O2 SO4 A 144 >GLY.B 80 -23.03 -7.82 -51.94 -22.67 -7.20 -52.32 -22.85 -7.51 -52.13 1 0 10.92 -999 ? O4 SO4 A 144 >PRO.B 81 -27.01 -6.64 -50.83 -25.28 -5.67 -51.86 -26.15 -6.15 -51.35 3 0 14.45 -999 ? O4 SO4 A 144 >GLU.B 84 -27.80 -6.68 -47.34 -27.42 -8.74 -47.68 -27.61 -7.71 -47.51 2 0 16.18 -999 ? O2 SO4 A 144 >HIS.B 85 -24.98 -1.24 -42.47 -25.90 -0.07 -40.99 -25.44 -0.65 -41.73 3 0 19.37 -999 ? O3 SO4 B 143 >TRP.B 86 -24.60 -8.07 -42.64 -28.44 -8.41 -42.24 -26.52 -8.24 -42.44 3 0 14.83 -999 ? O3 SO4 B 143 >ASP.B 87 -25.44 -3.39 -36.04 -26.23 -1.78 -37.25 -25.83 -2.58 -36.65 2 0 16.02 -999 ? O3 SO4 B 143 >HIS^B 88 -24.20 -7.01 -32.87 -24.11 -5.54 -31.40 -24.15 -6.27 -32.13 3 0 12.50 -999 ? O3 SO4 B 143 >VAL^B 89 -21.90 -10.72 -36.64 -21.18 -10.56 -38.66 -21.54 -10.64 -37.65 3 0 14.15 -999 ? O3 SO4 B 143 >PHE^B 90 -22.93 -13.32 -32.70 -25.57 -13.25 -31.93 -24.25 -13.28 -32.31 3 0 9.29 -999 ? O3 SO4 B 143 >ILE^B 91 -20.44 -18.42 -35.17 -20.05 -19.23 -36.28 -20.25 -18.83 -35.73 3 0 13.74 -999 ? O1 SO4 B 143 >ALA^B 92 -22.96 -19.23 -31.26 -24.25 -18.82 -30.70 -23.61 -19.02 -30.98 2 0 9.25 -999 ? O1 SO4 B 143 >GLU^B 93 -20.91 -24.95 -30.54 -18.94 -25.64 -30.48 -19.92 -25.29 -30.51 2 0 16.77 -999 ? O1 SO4 B 143 >TYR^B 94 -26.77 -23.53 -28.99 -27.46 -20.90 -28.48 -27.11 -22.22 -28.73 3 0 8.60 -999 ? O1 SO4 B 143 >PRO.B 95 -24.99 -28.37 -26.00 -24.41 -28.13 -28.14 -24.70 -28.25 -27.07 3 0 14.89 -999 ? O1 SO4 B 143 >SER~B 96 -27.58 -30.00 -29.52 -28.12 -30.44 -27.21 -27.85 -30.22 -28.37 2 0 15.09 -999 ? O1 SO4 B 143 >VAL~B 97 -30.68 -28.91 -31.39 -32.27 -29.57 -32.64 -31.47 -29.24 -32.02 3 0 12.39 -999 ? O1 SO4 B 143 >ALA~B 98 -32.35 -29.91 -28.14 -32.20 -31.28 -27.55 -32.27 -30.59 -27.84 2 0 14.92 -999 ? O1 SO4 B 143 >ALA~B 99 -30.25 -27.57 -26.04 -28.77 -27.48 -26.03 -29.51 -27.52 -26.03 2 0 12.75 -999 ? O1 SO4 B 143 >PHE~B 100 -31.32 -23.39 -30.42 -31.90 -20.94 -31.52 -31.61 -22.16 -30.97 3 0 5.48 -999 ? O1 SO4 B 143 >VAL~B 101 -34.97 -25.54 -28.18 -36.45 -26.90 -28.97 -35.71 -26.22 -28.58 3 0 9.79 -999 ? O2 SO4 B 143 >GLU~B 102 -34.76 -28.28 -23.56 -36.52 -28.34 -22.36 -35.64 -28.31 -22.96 2 0 14.16 -999 ? O2 SO4 B 143 >MET?B 103 -33.52 -22.26 -24.28 -30.49 -19.59 -25.92 -32.01 -20.93 -25.10 2 0 6.93 -999 ? O1 SO4 B 143 >ILE~B 104 -36.78 -21.33 -27.86 -36.86 -20.20 -29.00 -36.82 -20.77 -28.43 3 0 -4.82 -999 ? O2 SO4 B 143s >ARG~B 105 -39.17 -25.77 -25.24 -40.30 -28.41 -26.30 -39.73 -27.09 -25.77 2 0 -13.47 -999 ? O2 SO4 B 143s >ASP~B 106 -35.68 -20.70 -20.64 -35.15 -20.26 -18.65 -35.42 -20.48 -19.64 2 0 12.04 -999 ? O2 SO4 B 143 >PRO~B 107 -39.49 -20.11 -17.41 -38.99 -18.89 -19.25 -39.24 -19.50 -18.33 3 0 12.80 -999 ? O2 SO4 B 143 >VAL~B 108 -36.26 -16.02 -18.55 -34.67 -15.80 -17.13 -35.47 -15.91 -17.84 3 0 12.29 -999 ? O2 SO4 B 143 >TYR~B 109 -34.49 -17.07 -24.47 -33.51 -16.35 -27.02 -34.00 -16.71 -25.75 3 0 -4.51 -999 ? O2 SO4 B 143s >ARG~B 110 -41.92 -18.30 -23.81 -42.35 -20.70 -21.92 -42.14 -19.50 -22.86 2 0 11.66 -999 ? O2 SO4 B 143 >ALA~B 112 -35.70 -11.30 -22.56 -34.41 -11.91 -22.11 -35.06 -11.61 -22.33 2 0 9.28 -999 ? O2 SO4 B 143 >VAL~B 113 -36.40 -11.82 -26.25 -37.26 -13.18 -27.70 -36.83 -12.50 -26.97 3 0 5.40 -999 ? O2 SO4 B 143 >HIS~B 115 -35.23 -6.49 -23.44 -35.81 -5.80 -21.55 -35.52 -6.14 -22.50 3 0 12.21 -999 ? O3 SO4 B 143 >ARG~B 116 -33.97 -11.76 -30.94 -32.30 -12.05 -33.52 -33.14 -11.90 -32.23 2 0 -3.81 -999 ? O3 SO4 B 143s >ALA~B 118 -37.83 -4.38 -30.05 -38.16 -3.83 -28.69 -37.99 -4.11 -29.37 2 0 12.08 -999 ? O3 SO4 B 143 >ALA~B 119 -34.17 -3.71 -31.03 -33.05 -4.23 -30.15 -33.61 -3.97 -30.59 2 0 10.48 -999 ? O3 SO4 B 143 >VAL^B 120 -33.80 -5.48 -34.38 -33.23 -7.53 -34.71 -33.51 -6.51 -34.54 3 0 8.92 -999 ? O3 SO4 B 143 >ASP^B 122 -33.26 -6.52 -41.04 -33.45 -8.15 -42.40 -33.36 -7.33 -41.72 2 0 12.57 -999 ? O4 SO4 B 143 >ARG^B 124 -31.14 -13.06 -43.19 -31.67 -10.85 -45.27 -31.40 -11.95 -44.23 2 0 14.27 -999 ? O4 SO4 B 143 >LEU^B 125 -30.84 -16.64 -37.06 -30.47 -17.71 -35.21 -30.66 -17.17 -36.13 3 0 -5.13 -999 ? O1 SO4 B 143s >ILE^B 126 -27.43 -19.32 -41.24 -27.01 -19.07 -42.53 -27.22 -19.19 -41.88 3 0 12.03 -999 ? O1 SO4 B 143 >ARG^B 127 -29.89 -26.12 -37.28 -30.24 -29.12 -36.83 -30.06 -27.62 -37.06 2 0 13.51 -999 ? O1 SO4 B 143 >LEU^B 128 -23.69 -23.69 -39.91 -23.49 -22.16 -41.45 -23.59 -22.93 -40.68 3 0 14.46 -999 ? O1 SO4 B 143 >PRO^B 130 -19.97 -27.90 -36.29 -20.31 -27.37 -38.42 -20.14 -27.64 -37.36 3 0 17.81 -999 ? O1 SO4 B 143 >LEU.B 131 -17.11 -28.80 -42.04 -18.72 -29.42 -43.36 -17.92 -29.11 -42.70 3 0 19.96 -999 ? O3 SO4 A 144 >PRO.B 133 -10.67 -26.08 -39.51 -11.60 -26.85 -41.46 -11.13 -26.46 -40.48 3 0 18.81 -999 ? O3 SO4 A 144 >THR.C 2 -62.58 -54.31 -34.20 -62.57 -56.42 -34.92 -62.57 -55.37 -34.56 2 0 17.89 -999 ? O2 SO4 C 143 >GLY.C 3 -61.09 -51.69 -36.60 -60.94 -51.53 -35.75 -61.02 -51.61 -36.18 1 0 13.00 -999 ? O2 SO4 C 143 >HIS.C 4 -56.68 -51.82 -34.98 -56.92 -53.57 -33.87 -56.80 -52.69 -34.42 3 0 12.24 -999 ? O2 SO4 C 143 >ILE.C 5 -59.21 -45.45 -37.19 -60.44 -44.95 -37.61 -59.82 -45.20 -37.40 3 0 7.90 -999 ? O2 SO4 C 143 >PRO.C 7 -51.88 -42.96 -33.29 -53.26 -44.68 -33.08 -52.57 -43.82 -33.19 3 0 5.09 -999 ? O4 SO4 C 143 >THR~C 8 -53.00 -45.19 -28.76 -53.45 -46.88 -27.44 -53.23 -46.03 -28.10 2 0 11.61 -999 ? O4 SO4 C 143 >VAL~C 11 -48.23 -46.58 -27.78 -48.83 -48.22 -29.03 -48.53 -47.40 -28.40 3 0 11.18 -999 ? O4 SO4 C 143 >PHE~C 12 -47.99 -41.20 -30.67 -47.19 -39.41 -32.69 -47.59 -40.30 -31.68 3 0 6.60 -999 ? O4 SO4 C 143 >ALA~C 13 -45.20 -42.55 -26.27 -45.57 -42.65 -24.79 -45.39 -42.60 -25.53 2 0 13.70 -999 ? O4 SO4 C 143 >GLN~C 14 -44.50 -47.72 -25.76 -45.45 -49.56 -26.18 -44.98 -48.64 -25.97 2 0 15.06 -999 ? O4 SO4 C 143 >PHE~C 15 -43.45 -43.41 -32.67 -42.73 -42.63 -35.24 -43.09 -43.02 -33.95 3 0 8.93 -999 ? O4 SO4 C 143 >ALA~C 17 -39.50 -42.87 -26.48 -40.09 -44.00 -25.67 -39.79 -43.43 -26.07 2 0 16.26 -999 ? O4 SO4 C 143 >ASN~C 18 -38.00 -45.77 -29.93 -36.48 -46.89 -30.87 -37.24 -46.33 -30.40 2 0 17.03 -999 ? O4 SO4 C 143 >ASP~C 19 -35.87 -40.71 -30.43 -34.71 -40.70 -28.62 -35.29 -40.70 -29.52 2 0 18.55 -999 ? O4 SO4 C 143 >ARG.C 20 -34.73 -45.63 -34.19 -35.20 -45.73 -37.14 -34.96 -45.68 -35.66 2 0 16.46 -999 ? O3 SO4 C 143 >GLU.C 21 -29.34 -39.77 -35.93 -27.63 -38.51 -35.55 -28.49 -39.14 -35.74 2 0 22.57 -999 ? O1 SO4 B 143 >GLY.C 22 -31.74 -43.08 -38.31 -32.35 -42.40 -38.10 -32.04 -42.74 -38.21 1 0 19.19 -999 ? O3 SO4 C 143 >PRO.C 23 -33.19 -43.88 -42.41 -33.82 -42.92 -40.54 -33.50 -43.40 -41.48 3 0 17.55 -999 ? O3 SO4 C 143 >ILE^C 24 -38.55 -44.15 -39.22 -38.79 -43.16 -38.13 -38.67 -43.66 -38.67 3 0 12.43 -999 ? O3 SO4 C 143 >HIS^C 25 -38.24 -47.30 -44.34 -36.92 -46.71 -45.84 -37.58 -47.00 -45.09 3 0 15.52 -999 ? O3 SO4 C 143 >MET?C 26 -43.61 -46.46 -42.17 -43.50 -45.24 -39.26 -43.56 -45.85 -40.72 2 0 8.43 -999 ? O3 SO4 C 143 >LEU^C 27 -45.04 -51.00 -43.41 -45.28 -52.35 -45.12 -45.16 -51.67 -44.26 3 0 12.95 -999 ? O3 SO4 C 143 >ASN^C 28 -49.03 -47.04 -44.87 -48.90 -45.47 -43.47 -48.97 -46.26 -44.17 2 0 6.23 -999 ? O3 SO4 C 143 >LEU^C 29 -51.56 -52.31 -44.32 -50.13 -53.64 -45.15 -50.84 -52.98 -44.74 3 0 12.77 -999 ? O2 SO4 C 143 >VAL^C 30 -55.03 -49.10 -45.35 -55.29 -46.98 -45.41 -55.16 -48.04 -45.38 3 0 9.44 -999 ? O2 SO4 C 143 >ARG^C 31 -60.44 -53.67 -45.09 -62.35 -56.06 -45.17 -61.39 -54.87 -45.13 2 0 18.31 -999 ? O2 SO4 C 143 >LEU^C 32 -60.92 -47.01 -48.11 -59.53 -45.46 -48.44 -60.23 -46.24 -48.28 3 0 12.97 -999 ? O2 SO4 C 143 >PRO.C 34 -67.79 -49.77 -48.05 -66.86 -47.74 -48.05 -67.32 -48.75 -48.05 3 0 18.67 -999 ? O2 SO4 C 143 >ALA.C 36 -67.13 -42.23 -45.36 -66.62 -40.99 -46.06 -66.88 -41.61 -45.71 2 0 15.80 -999 ? O2 SO4 C 143 >ALA.C 37 -67.99 -41.41 -41.71 -67.49 -42.47 -40.73 -67.74 -41.94 -41.22 2 0 14.92 -999 ? O2 SO4 C 143 >TYR.C 38 -66.78 -36.54 -43.47 -64.51 -36.38 -45.11 -65.64 -36.46 -44.29 3 0 14.74 -999 ? O1 SO4 C 143 >PRO.C 39 -67.77 -35.94 -37.49 -69.36 -36.41 -38.95 -68.56 -36.18 -38.22 3 0 16.50 -999 ? O1 SO4 C 143 >ASP.C 40 -70.49 -32.61 -41.55 -68.92 -32.03 -40.18 -69.70 -32.32 -40.87 2 0 18.23 -999 ? O1 SO4 C 143 >THR~C 45 -67.29 -42.12 -50.40 -66.89 -42.35 -52.54 -67.09 -42.23 -51.47 2 0 19.87 -999 ? O2 SO4 C 143 >GLY~C 46 -64.32 -43.55 -48.62 -64.33 -43.22 -49.38 -64.32 -43.39 -49.00 1 0 15.40 -999 ? O2 SO4 C 143 >ALA~C 47 -61.86 -43.19 -51.46 -61.89 -43.98 -52.75 -61.87 -43.59 -52.10 2 0 16.97 -999 ? O2 SO4 C 143 >ALA~C 49 -62.35 -38.96 -48.26 -63.14 -39.63 -47.17 -62.75 -39.30 -47.72 2 0 13.68 -999 ? O2 SO4 C 143 >TYR~C 50 -57.20 -42.45 -48.13 -54.72 -43.32 -47.12 -55.96 -42.89 -47.63 3 0 9.63 -999 ? O2 SO4 C 143 >ALA~C 51 -57.81 -38.59 -51.33 -58.44 -38.61 -52.71 -58.13 -38.60 -52.02 2 0 15.40 -999 ? O1 SO4 C 143 >ALA~C 52 -58.68 -35.45 -49.33 -59.89 -35.26 -48.47 -59.29 -35.35 -48.90 2 0 13.15 -999 ? O1 SO4 C 143 >TYR~C 53 -55.14 -38.26 -45.10 -52.97 -39.25 -43.55 -54.06 -38.75 -44.32 3 0 -6.05 -999 ? O1 SO4 C 143s >GLY~C 54 -53.65 -37.13 -49.30 -54.06 -36.44 -49.14 -53.85 -36.78 -49.22 1 0 10.88 -999 ? O3 SO4 C 143 >ARG~C 55 -56.53 -33.06 -53.92 -59.21 -33.58 -52.45 -57.87 -33.32 -53.18 2 0 16.59 -999 ? O1 SO4 C 143 >ASP~C 56 -55.02 -31.98 -46.63 -56.78 -31.21 -47.55 -55.90 -31.60 -47.09 2 0 13.06 -999 ? O1 SO4 C 143 >GLY~C 58 -48.51 -34.09 -48.71 -48.67 -33.58 -48.22 -48.59 -33.83 -48.47 1 0 11.71 -999 ? O3 SO4 C 143 >PRO~C 59 -49.62 -29.94 -49.33 -47.85 -31.02 -48.49 -48.73 -30.48 -48.91 3 0 14.24 -999 ? O3 SO4 C 143 >VAL~C 60 -46.70 -30.82 -44.74 -47.82 -30.79 -42.88 -47.26 -30.80 -43.81 3 0 11.50 -999 ? O1 SO4 C 143 >ARG~C 63 -43.17 -26.88 -44.13 -46.11 -26.25 -43.59 -44.64 -26.56 -43.86 2 0 15.63 -999 ? O1 SO4 C 143 >LEU~C 64 -41.54 -32.39 -41.96 -42.16 -31.14 -40.32 -41.85 -31.77 -41.14 3 0 12.95 -999 ? O3 SO4 C 143 >GLY~C 65 -38.87 -34.33 -45.46 -39.56 -34.59 -45.18 -39.21 -34.46 -45.32 1 0 14.88 -999 ? O3 SO4 C 143 >GLY.C 66 -41.18 -37.33 -45.66 -40.89 -36.79 -46.27 -41.04 -37.06 -45.96 1 0 11.96 -999 ? O3 SO4 C 143 >VAL^C 68 -43.16 -42.16 -50.23 -45.25 -42.66 -50.61 -44.21 -42.41 -50.42 3 0 12.79 -999 ? O3 SO4 C 143 >VAL^C 69 -40.45 -44.64 -51.19 -38.79 -45.28 -50.01 -39.62 -44.96 -50.60 3 0 16.20 -999 ? O3 SO4 C 143 >TRP^C 70 -42.34 -50.92 -53.54 -45.07 -52.13 -51.07 -43.71 -51.52 -52.30 3 0 17.07 -999 ? O1 SO4 D 144 >GLN^C 71 -47.96 -46.80 -54.19 -48.85 -44.86 -54.19 -48.41 -45.83 -54.19 2 0 15.26 -999 ? O3 SO4 C 143 >GLY^C 72 -47.92 -51.27 -54.74 -48.39 -50.83 -54.25 -48.15 -51.05 -54.50 1 0 18.18 -999 ? O1 SO4 D 144 >GLN.C 73 -53.15 -51.65 -57.24 -53.65 -51.20 -59.22 -53.40 -51.43 -58.23 2 0 21.65 -999 ? O1 SO4 D 144 >PHE.C 74 -54.44 -56.30 -52.12 -55.06 -58.70 -50.91 -54.75 -57.50 -51.51 3 0 15.46 -999 ? O1 SO4 D 144 >GLU.C 75 -51.88 -57.41 -57.98 -50.77 -58.14 -59.71 -51.33 -57.77 -58.85 2 0 15.43 -999 ? O1 SO4 D 144 >LEU.C 76 -53.34 -62.43 -54.65 -54.50 -64.28 -54.74 -53.92 -63.35 -54.70 3 0 11.98 -999 ? O1 SO4 D 144 >MET?C 77 -53.43 -62.54 -50.25 -52.97 -61.57 -46.93 -53.20 -62.05 -48.59 2 0 11.94 -999 ? O4 SO4 D 144 >LEU.C 78 -50.15 -65.70 -51.86 -49.80 -67.37 -53.17 -49.97 -66.53 -52.52 3 0 6.66 -999 ? O1 SO4 D 144 >ILE.C 79 -49.30 -66.84 -46.77 -48.33 -67.79 -46.25 -48.82 -67.31 -46.51 3 0 -5.37 -999 ? O4 SO4 D 144s >GLY.C 80 -53.10 -65.01 -44.83 -53.45 -65.58 -45.29 -53.27 -65.29 -45.06 1 0 10.42 -999 ? O4 SO4 D 144 >PRO.C 81 -56.12 -63.02 -42.50 -56.10 -64.65 -44.03 -56.11 -63.84 -43.27 3 0 13.94 -999 ? O4 SO4 D 144 >GLU.C 84 -56.50 -59.51 -42.99 -54.53 -59.63 -42.17 -55.52 -59.57 -42.58 2 0 15.82 -999 ? O4 SO4 D 144 >HIS.C 85 -59.79 -56.63 -49.48 -61.29 -55.18 -49.74 -60.54 -55.90 -49.61 3 0 19.42 -999 ? O2 SO4 C 143 >TRP.C 86 -53.66 -55.72 -46.53 -55.29 -54.19 -43.34 -54.47 -54.96 -44.94 3 0 14.58 -999 ? O2 SO4 C 143 >ASP.C 87 -58.14 -50.06 -50.23 -59.93 -51.24 -49.94 -59.04 -50.65 -50.09 2 0 16.34 -999 ? O2 SO4 C 143 >HIS^C 88 -54.39 -46.83 -50.59 -55.61 -45.71 -51.87 -55.00 -46.27 -51.23 3 0 13.49 -999 ? O3 SO4 C 143 >VAL^C 89 -50.03 -50.42 -49.44 -49.80 -52.55 -49.44 -49.92 -51.48 -49.44 3 0 14.44 -999 ? O3 SO4 C 143 >PHE^C 90 -48.29 -45.94 -48.72 -49.67 -44.46 -46.86 -48.98 -45.20 -47.79 3 0 9.42 -999 ? O3 SO4 C 143 >ILE^C 91 -42.64 -48.17 -47.49 -41.73 -49.19 -47.06 -42.19 -48.68 -47.27 3 0 13.87 -999 ? O3 SO4 C 143 >ALA^C 92 -43.20 -43.63 -46.35 -44.21 -42.79 -45.70 -43.71 -43.21 -46.03 2 0 9.18 -999 ? O3 SO4 C 143 >TYR^C 94 -41.37 -39.62 -41.95 -43.99 -39.38 -42.78 -42.68 -39.50 -42.37 3 0 8.71 -999 ? O3 SO4 C 143 >PRO.C 95 -36.29 -36.57 -42.12 -36.21 -38.79 -42.00 -36.25 -37.68 -42.06 3 0 15.12 -999 ? O3 SO4 C 143 >SER~C 96 -36.19 -38.88 -38.08 -36.07 -36.44 -38.18 -36.13 -37.66 -38.13 2 0 15.46 -999 ? O3 SO4 C 143 >VAL~C 97 -38.67 -39.91 -35.45 -38.92 -40.51 -33.42 -38.80 -40.21 -34.43 3 0 12.69 -999 ? O4 SO4 C 143 >ALA~C 98 -38.65 -36.19 -34.65 -37.42 -35.45 -34.26 -38.03 -35.82 -34.45 2 0 15.11 -999 ? O4 SO4 C 143 >ALA~C 99 -39.62 -35.19 -38.17 -38.94 -35.59 -39.43 -39.28 -35.39 -38.80 2 0 13.02 -999 ? O3 SO4 C 143 >PHE~C 100 -43.79 -39.72 -37.85 -46.19 -41.04 -38.17 -44.99 -40.38 -38.01 3 0 6.02 -999 ? O3 SO4 C 143 >VAL~C 101 -43.74 -36.22 -34.57 -43.32 -36.32 -32.45 -43.53 -36.27 -33.51 3 0 9.71 -999 ? O4 SO4 C 143 >GLU~C 102 -41.27 -31.44 -34.97 -42.08 -29.78 -33.89 -41.67 -30.61 -34.43 2 0 14.82 -999 ? O4 SO4 C 143 >MET?C 103 -45.86 -33.49 -38.60 -46.67 -36.44 -41.75 -46.26 -34.97 -40.18 2 0 6.53 -999 ? O3 SO4 C 143 >ILE~C 104 -48.29 -36.09 -35.21 -49.34 -37.33 -35.33 -48.81 -36.71 -35.27 3 0 -5.27 -999 ? O4 SO4 C 143s >ARG~C 105 -45.64 -32.22 -32.04 -43.91 -32.44 -29.53 -44.77 -32.33 -30.79 2 0 -13.59 -999 ? O4 SO4 C 143s >ASP~C 106 -48.30 -29.70 -38.79 -48.42 -28.03 -40.10 -48.36 -28.86 -39.44 2 0 12.37 -999 ? O1 SO4 C 143 >PRO~C 107 -50.72 -25.67 -37.01 -51.52 -27.75 -37.41 -51.12 -26.71 -37.21 3 0 13.06 -999 ? O1 SO4 C 143 >TYR~C 109 -50.84 -34.27 -40.19 -50.98 -37.05 -40.51 -50.91 -35.66 -40.35 3 0 -4.61 -999 ? O1 SO4 C 143s >ALA~C 112 -56.44 -33.08 -42.57 -55.28 -32.92 -43.48 -55.86 -33.00 -43.03 2 0 8.80 -999 ? O1 SO4 C 143 >VAL~C 113 -56.33 -36.28 -40.53 -55.62 -37.05 -38.62 -55.97 -36.67 -39.57 3 0 4.73 -999 ? O1 SO4 C 143 >HIS~C 115 -60.35 -34.84 -44.93 -61.23 -33.00 -45.39 -60.79 -33.92 -45.16 3 0 12.08 -999 ? O1 SO4 C 143 >ARG~C 116 -55.22 -41.43 -41.03 -54.13 -44.31 -41.43 -54.68 -42.87 -41.23 2 0 -3.94 -999 ? O2 SO4 C 143s >ALA~C 118 -63.48 -40.69 -41.60 -64.13 -39.39 -42.03 -63.80 -40.04 -41.82 2 0 12.17 -999 ? O2 SO4 C 143 >ALA~C 119 -62.25 -42.77 -44.60 -61.25 -42.18 -45.60 -61.75 -42.48 -45.10 2 0 11.03 -999 ? O2 SO4 C 143 >VAL^C 120 -60.53 -45.74 -42.94 -58.45 -45.88 -42.31 -59.49 -45.81 -42.63 3 0 8.77 -999 ? O2 SO4 C 143 >ASP^C 122 -59.35 -52.01 -40.71 -58.00 -52.97 -39.35 -58.67 -52.49 -40.03 2 0 12.24 -999 ? O2 SO4 C 143 >SER^C 123 -55.40 -49.97 -41.13 -54.98 -47.85 -40.02 -55.19 -48.91 -40.57 2 0 6.48 -999 ? O2 SO4 C 143 >ARG^C 124 -52.62 -53.57 -38.61 -54.79 -55.73 -38.53 -53.71 -54.65 -38.57 2 0 13.94 -999 ? O2 SO4 C 143 >LEU^C 125 -49.39 -47.26 -39.22 -48.27 -45.43 -39.62 -48.83 -46.35 -39.42 3 0 5.69 -999 ? O3 SO4 C 143 >ILE^C 126 -45.35 -51.72 -39.32 -45.36 -53.12 -39.37 -45.35 -52.42 -39.35 3 0 12.64 -999 ? O3 SO4 C 143 >ARG^C 127 -40.66 -46.21 -35.45 -39.12 -44.98 -33.09 -39.89 -45.59 -34.27 2 0 13.33 -999 ? O4 SO4 C 143 >PRO.C 130 -34.19 -47.79 -43.03 -34.80 -49.77 -42.29 -34.50 -48.78 -42.66 3 0 18.31 -999 ? O3 SO4 C 143 >LEU.C 131 -31.98 -53.89 -43.03 -32.25 -54.57 -40.97 -32.11 -54.23 -42.00 3 0 19.61 -999 ? O3 SO4 D 144 >PRO.C 133 -31.10 -53.80 -50.41 -30.90 -55.23 -48.63 -31.00 -54.52 -49.52 3 0 18.93 -999 ? O3 SO4 D 144 >GLY.D 3 -51.80 -69.33 -37.66 -52.40 -69.76 -38.15 -52.10 -69.54 -37.90 1 0 13.17 -999 ? O4 SO4 D 144 >HIS.D 4 -53.18 -67.49 -41.77 -55.10 -66.97 -41.12 -54.14 -67.23 -41.44 3 0 12.12 -999 ? O4 SO4 D 144 >ILE.D 5 -47.69 -72.14 -41.94 -47.04 -72.99 -41.03 -47.36 -72.57 -41.48 3 0 8.13 -999 ? O4 SO4 D 144 >PRO.D 7 -49.43 -71.39 -50.42 -50.59 -71.14 -48.53 -50.01 -71.26 -49.48 3 0 -4.81 -999 ? O4 SO4 D 144s >THR~D 8 -54.42 -72.71 -49.97 -56.48 -72.44 -49.26 -55.45 -72.58 -49.61 2 0 11.36 -999 ? O4 SO4 D 144 >VAL~D 11 -56.02 -69.47 -53.55 -55.94 -68.14 -51.83 -55.98 -68.80 -52.69 3 0 11.41 -999 ? O4 SO4 D 144 >PHE~D 12 -50.53 -71.53 -55.29 -47.83 -71.30 -56.08 -49.18 -71.42 -55.68 3 0 7.74 -999 ? O4 SO4 D 144 >ALA~D 13 -54.85 -71.03 -58.46 -56.06 -71.92 -58.75 -55.46 -71.48 -58.61 2 0 10.19 -999 ? O1 SO4 D 143 >GLN~D 14 -58.33 -67.49 -56.73 -59.10 -66.63 -54.96 -58.72 -67.06 -55.84 2 0 15.50 -999 ? O4 SO4 D 144 >PHE~D 15 -50.17 -66.51 -57.28 -47.64 -65.41 -57.38 -48.91 -65.96 -57.33 3 0 8.78 -999 ? O1 SO4 D 144 >ARG~D 16 -50.37 -72.27 -60.90 -52.38 -73.96 -59.17 -51.38 -73.12 -60.03 2 0 7.24 -999 ? O1 SO4 D 143 >ALA~D 17 -54.88 -67.50 -62.83 -56.19 -67.47 -62.07 -55.54 -67.49 -62.45 2 0 10.67 -999 ? O1 SO4 D 143 >ASN~D 18 -53.74 -63.08 -61.51 -53.51 -61.02 -61.84 -53.63 -62.05 -61.68 2 0 14.58 -999 ? O1 SO4 D 143 >ASP~D 19 -50.40 -64.97 -65.48 -51.82 -65.16 -67.08 -51.11 -65.07 -66.28 2 0 9.81 -999 ? O1 SO4 D 143 >ARG.D 20 -50.19 -59.24 -62.79 -47.22 -58.89 -62.62 -48.71 -59.07 -62.70 2 0 15.76 -999 ? O1 SO4 D 143 >GLU.D 21 -45.39 -59.26 -69.42 -45.02 -59.32 -71.53 -45.20 -59.29 -70.48 2 0 16.35 -999 ? O3 SO4 D 143 >GLY.D 22 -45.34 -57.28 -65.11 -45.12 -58.18 -65.02 -45.23 -57.73 -65.07 1 0 17.38 -999 ? O1 SO4 D 143 >PRO.D 23 -42.47 -55.68 -62.19 -43.44 -57.55 -62.77 -42.95 -56.61 -62.48 3 0 16.87 -999 ? O1 SO4 D 144 >ILE^D 24 -45.26 -60.08 -58.72 -45.60 -61.41 -59.31 -45.43 -60.75 -59.01 3 0 11.57 -999 ? O1 SO4 D 144 >HIS^D 25 -42.91 -55.39 -55.77 -41.33 -54.32 -56.63 -42.12 -54.86 -56.20 3 0 14.88 -999 ? O1 SO4 D 144 >MET?D 26 -44.20 -60.09 -52.52 -45.92 -62.34 -54.07 -45.06 -61.22 -53.29 2 0 7.37 -999 ? O1 SO4 D 144 >LEU^D 27 -45.80 -57.30 -48.80 -45.16 -55.75 -47.37 -45.48 -56.53 -48.09 3 0 12.33 -999 ? O1 SO4 D 144 >ASN^D 28 -42.34 -61.56 -46.93 -42.61 -63.18 -48.27 -42.47 -62.37 -47.60 2 0 5.95 -999 ? O1 SO4 D 144 >LEU^D 29 -45.84 -59.78 -42.57 -45.92 -57.66 -42.83 -45.88 -58.72 -42.70 3 0 12.52 -999 ? O3 SO4 D 144 >VAL^D 30 -43.15 -63.44 -40.91 -41.89 -65.00 -41.76 -42.52 -64.22 -41.33 3 0 8.87 -999 ? O3 SO4 D 144 >ARG^D 31 -46.03 -63.65 -34.43 -47.35 -63.12 -31.72 -46.69 -63.39 -33.08 2 0 18.54 -999 ? O3 SO4 D 144 >ARG.D 33 -42.90 -72.81 -34.94 -45.72 -73.79 -34.25 -44.31 -73.30 -34.60 2 0 15.18 -999 ? O4 SO4 D 144 >PRO.D 34 -41.36 -69.09 -29.27 -40.18 -69.89 -30.99 -40.77 -69.49 -30.13 3 0 18.57 -999 ? O3 SO4 D 144 >ALA.D 36 -39.17 -75.00 -34.25 -37.88 -75.18 -35.02 -38.52 -75.09 -34.64 2 0 15.57 -999 ? O3 SO4 D 144 >ALA.D 37 -41.69 -77.76 -35.16 -43.10 -77.23 -35.42 -42.39 -77.50 -35.29 2 0 15.36 -999 ? O3 SO4 D 144 >TYR.D 38 -37.44 -79.47 -37.85 -35.99 -77.49 -39.22 -36.72 -78.48 -38.54 3 0 14.89 -999 ? O3 SO4 D 144 >PRO.D 39 -41.96 -83.26 -39.34 -41.07 -83.20 -37.31 -41.51 -83.23 -38.32 3 0 17.10 -999 ? O4 SO4 D 144 >ASP.D 40 -36.77 -85.18 -37.38 -37.65 -85.30 -39.38 -37.21 -85.24 -38.38 2 0 18.78 -999 ? O2 SO4 D 144 >THR~D 45 -35.00 -72.80 -32.49 -33.38 -71.43 -32.01 -34.19 -72.11 -32.25 2 0 19.17 -999 ? O3 SO4 D 144 >GLY~D 46 -37.28 -70.97 -34.84 -36.47 -70.84 -34.72 -36.88 -70.90 -34.78 1 0 14.89 -999 ? O3 SO4 D 144 >ALA~D 47 -34.77 -68.44 -36.05 -34.19 -67.32 -35.22 -34.48 -67.88 -35.64 2 0 16.01 -999 ? O3 SO4 D 144 >ALA~D 49 -34.93 -73.07 -38.72 -36.19 -73.61 -38.11 -35.56 -73.34 -38.42 2 0 13.09 -999 ? O3 SO4 D 144 >TYR~D 50 -37.03 -67.81 -41.31 -38.33 -66.27 -43.28 -37.68 -67.04 -42.29 3 0 8.41 -999 ? O3 SO4 D 144 >ALA~D 51 -32.19 -69.22 -41.55 -31.09 -68.91 -40.56 -31.64 -69.07 -41.05 2 0 14.18 -999 ? O3 SO4 D 144 >ALA~D 52 -32.01 -72.76 -42.99 -32.59 -74.01 -42.38 -32.30 -73.39 -42.69 2 0 12.81 -999 ? O3 SO4 D 144 >TYR~D 53 -37.07 -70.82 -46.02 -38.90 -69.63 -47.84 -37.99 -70.22 -46.93 3 0 -5.14 -999 ? O3 SO4 D 144s >GLY~D 54 -33.01 -68.76 -46.35 -32.74 -69.53 -46.38 -32.87 -69.14 -46.37 1 0 10.03 -999 ? O3 SO4 D 144 >ARG~D 55 -27.12 -71.10 -44.03 -28.63 -72.98 -42.05 -27.88 -72.04 -43.04 2 0 16.00 -999 ? O3 SO4 D 144 >ASP~D 56 -32.23 -74.22 -48.56 -31.00 -75.57 -47.49 -31.62 -74.90 -48.02 2 0 13.37 -999 ? O3 SO4 D 144 >GLY~D 58 -31.70 -68.07 -52.17 -31.84 -68.84 -52.46 -31.77 -68.46 -52.32 1 0 11.70 -999 ? O3 SO4 D 144 >PRO~D 59 -28.82 -71.21 -53.01 -30.08 -69.82 -54.21 -29.45 -70.51 -53.61 3 0 14.28 -999 ? O3 SO4 D 144 >VAL~D 60 -33.06 -71.07 -56.49 -34.57 -72.63 -56.22 -33.81 -71.85 -56.36 3 0 11.41 -999 ? O2 SO4 D 144 >ARG~D 63 -31.23 -71.95 -61.45 -31.37 -74.32 -59.54 -31.30 -73.14 -60.49 2 0 15.52 -999 ? O2 SO4 D 144 >LEU~D 64 -36.22 -68.36 -60.89 -36.84 -70.32 -61.56 -36.53 -69.34 -61.22 3 0 13.01 -999 ? O1 SO4 D 144 >GLY~D 65 -34.47 -63.87 -60.99 -34.85 -64.23 -60.39 -34.66 -64.05 -60.69 1 0 14.83 -999 ? O1 SO4 D 144 >GLY.D 66 -36.07 -63.12 -57.64 -35.26 -63.03 -57.92 -35.66 -63.07 -57.78 1 0 11.87 -999 ? O1 SO4 D 144 >VAL^D 68 -35.13 -58.91 -52.21 -35.14 -59.58 -50.21 -35.13 -59.24 -51.21 3 0 12.79 -999 ? O1 SO4 D 144 >VAL^D 69 -35.78 -55.24 -52.94 -37.10 -54.41 -54.39 -36.44 -54.82 -53.66 3 0 15.90 -999 ? O1 SO4 D 144 >TRP^D 70 -37.52 -51.03 -47.70 -40.21 -52.99 -45.69 -38.86 -52.01 -46.70 3 0 17.68 -999 ? O1 SO4 D 144 >GLN^D 71 -34.59 -56.71 -44.78 -33.44 -58.53 -44.96 -34.01 -57.62 -44.87 2 0 14.72 -999 ? O3 SO4 D 144 >GLY^D 72 -36.76 -53.44 -42.53 -36.92 -54.24 -42.51 -36.84 -53.84 -42.52 1 0 18.02 -999 ? O3 SO4 D 144 >GLN.D 73 -34.91 -55.04 -37.23 -33.05 -54.70 -36.32 -33.98 -54.87 -36.78 2 0 21.43 -999 ? O3 SO4 D 144 >PHE.D 74 -41.79 -55.14 -35.71 -44.15 -54.44 -34.49 -42.97 -54.79 -35.10 3 0 16.16 -999 ? O4 SO4 C 143 >GLU.D 75 -37.65 -50.16 -35.30 -36.71 -48.26 -35.27 -37.18 -49.21 -35.28 2 0 16.28 -999 ? O4 SO4 C 143 >LEU.D 76 -43.29 -49.21 -32.89 -44.26 -48.57 -31.07 -43.78 -48.89 -31.98 3 0 11.99 -999 ? O4 SO4 C 143 >MET?D 77 -46.92 -51.24 -34.22 -49.03 -53.12 -36.13 -47.97 -52.18 -35.17 2 0 12.03 -999 ? O2 SO4 C 143 >LEU.D 78 -47.44 -46.49 -34.90 -47.34 -44.58 -34.00 -47.39 -45.54 -34.45 3 0 6.50 -999 ? O4 SO4 C 143 >ILE.D 79 -52.24 -47.64 -36.76 -53.21 -46.69 -37.27 -52.72 -47.17 -37.02 3 0 -5.46 -999 ? O2 SO4 C 143s >GLY.D 80 -52.79 -51.97 -35.17 -52.74 -51.59 -34.46 -52.77 -51.78 -34.81 1 0 10.61 -999 ? O2 SO4 C 143 >PRO.D 81 -53.54 -56.14 -34.42 -53.23 -54.31 -33.16 -53.38 -55.23 -33.79 3 0 14.15 -999 ? O2 SO4 C 143 >GLU.D 84 -51.08 -58.47 -35.62 -51.76 -57.60 -37.46 -51.42 -58.03 -36.54 2 0 15.74 -999 ? O2 SO4 C 143 >HIS.D 85 -44.15 -59.24 -32.09 -43.10 -60.96 -31.47 -43.63 -60.10 -31.78 3 0 19.19 -999 ? O3 SO4 D 144 >TRP.D 86 -46.03 -57.70 -38.48 -47.72 -61.15 -38.94 -46.87 -59.42 -38.71 3 0 14.58 -999 ? O3 SO4 D 144 >ASP.D 87 -39.74 -62.30 -36.26 -40.65 -62.71 -34.33 -40.19 -62.51 -35.29 2 0 15.86 -999 ? O3 SO4 D 144 >HIS^D 88 -37.55 -62.13 -40.72 -35.86 -62.96 -39.81 -36.71 -62.54 -40.26 3 0 12.33 -999 ? O3 SO4 D 144 >VAL^D 89 -40.56 -57.77 -42.99 -41.79 -56.22 -42.16 -41.18 -56.99 -42.58 3 0 13.81 -999 ? O3 SO4 D 144 >PHE^D 90 -38.56 -60.04 -46.75 -39.24 -62.72 -46.92 -38.90 -61.38 -46.83 3 0 9.00 -999 ? O3 SO4 D 144 >ILE^D 91 -40.84 -55.89 -50.73 -41.76 -54.89 -51.14 -41.30 -55.39 -50.94 3 0 13.38 -999 ? O1 SO4 D 144 >ALA^D 92 -39.15 -59.76 -52.80 -39.21 -61.21 -52.59 -39.18 -60.49 -52.69 2 0 8.92 -999 ? O1 SO4 D 144 >TYR^D 94 -40.40 -63.44 -57.64 -39.56 -64.72 -55.32 -39.99 -64.08 -56.48 3 0 8.38 -999 ? O1 SO4 D 144 >PRO.D 95 -38.48 -62.46 -63.19 -39.88 -61.00 -62.23 -39.18 -61.73 -62.71 3 0 14.71 -999 ? O1 SO4 D 144 >SER~D 96 -43.15 -62.76 -63.55 -41.65 -64.23 -64.75 -42.40 -63.50 -64.15 2 0 12.11 -999 ? O3 SO4 D 143 >VAL~D 97 -45.89 -64.76 -61.91 -47.89 -65.48 -62.11 -46.89 -65.12 -62.01 3 0 9.98 -999 ? O1 SO4 D 143 >ALA~D 98 -44.37 -67.59 -63.93 -44.23 -67.54 -65.41 -44.30 -67.57 -64.67 2 0 7.99 -999 ? O3 SO4 D 143 >ALA~D 99 -40.92 -67.18 -62.43 -40.15 -65.93 -62.37 -40.54 -66.56 -62.40 2 0 12.15 -999 ? O3 SO4 D 143 >PHE~D 100 -43.82 -66.73 -56.99 -44.31 -67.09 -54.31 -44.07 -66.91 -55.65 3 0 5.34 -999 ? O1 SO4 D 144 >VAL~D 101 -44.45 -70.57 -59.80 -46.24 -71.24 -60.83 -45.34 -70.90 -60.31 3 0 7.01 -999 ? O1 SO4 D 143 >GLU~D 102 -41.35 -72.12 -63.90 -41.23 -74.18 -64.40 -41.29 -73.15 -64.15 2 0 6.33 -999 ? O3 SO4 D 143 >MET?D 103 -39.60 -71.69 -57.99 -38.69 -68.72 -54.84 -39.14 -70.21 -56.42 2 0 6.77 -999 ? O1 SO4 D 144 >ILE~D 104 -43.87 -72.99 -55.90 -44.47 -72.70 -54.44 -44.17 -72.84 -55.17 3 0 -5.14 -999 ? O2 SO4 D 144s >ARG~D 105 -44.23 -75.53 -60.98 -46.42 -75.58 -63.13 -45.32 -75.55 -62.06 2 0 -3.48 -999 ? O4 SO4 D 143s >ASP~D 106 -37.26 -75.55 -57.73 -35.23 -76.14 -57.99 -36.25 -75.85 -57.86 2 0 12.29 -999 ? O2 SO4 D 144 >PRO~D 107 -36.38 -80.47 -58.25 -37.26 -79.37 -56.48 -36.82 -79.92 -57.36 3 0 13.02 -999 ? O2 SO4 D 144 >VAL~D 108 -34.49 -77.82 -54.00 -32.47 -77.10 -54.46 -33.48 -77.46 -54.23 3 0 12.42 -999 ? O2 SO4 D 144 >TYR~D 109 -38.76 -73.31 -53.06 -40.13 -71.39 -51.48 -39.44 -72.35 -52.27 3 0 -4.63 -999 ? O2 SO4 D 144s >ALA~D 112 -36.15 -76.23 -48.22 -35.31 -75.21 -48.94 -35.73 -75.72 -48.58 2 0 9.21 -999 ? O2 SO4 D 144 >HIS~D 115 -35.24 -76.21 -43.39 -33.79 -77.71 -43.38 -34.52 -76.96 -43.39 3 0 12.39 -999 ? O3 SO4 D 144 >ARG~D 116 -42.25 -70.70 -45.84 -43.59 -67.99 -45.24 -42.92 -69.35 -45.54 2 0 -3.70 -999 ? O3 SO4 D 144s >ALA~D 118 -41.34 -75.68 -39.24 -40.22 -76.70 -39.18 -40.78 -76.19 -39.21 2 0 12.22 -999 ? O3 SO4 D 144 >ALA~D 119 -40.11 -72.18 -38.25 -38.96 -71.54 -39.01 -39.54 -71.86 -38.63 2 0 10.55 -999 ? O3 SO4 D 144 >VAL^D 120 -43.16 -69.97 -38.82 -43.74 -68.97 -40.64 -43.45 -69.47 -39.73 3 0 8.89 -999 ? O3 SO4 D 144 >GLU^D 121 -46.55 -68.89 -33.67 -46.38 -67.57 -32.01 -46.46 -68.23 -32.84 2 0 17.06 -999 ? O3 SO4 D 144 >ASP^D 122 -48.63 -66.18 -37.56 -50.27 -65.39 -38.66 -49.45 -65.78 -38.11 2 0 12.60 -999 ? O4 SO4 D 144 >ARG^D 124 -51.20 -62.26 -43.01 -52.56 -62.10 -40.25 -51.88 -62.18 -41.63 2 0 14.15 -999 ? O4 SO4 D 144 >LEU^D 125 -47.08 -64.29 -48.44 -45.70 -64.67 -50.05 -46.39 -64.48 -49.25 3 0 -4.90 -999 ? O1 SO4 D 144s >ILE^D 126 -49.53 -58.92 -49.59 -50.29 -57.97 -48.93 -49.91 -58.45 -49.26 3 0 11.77 -999 ? O1 SO4 D 144 >LEU^D 128 -47.85 -55.58 -54.15 -48.57 -54.88 -52.27 -48.21 -55.23 -53.21 3 0 14.20 -999 ? O1 SO4 D 144 >PRO.D 130 -44.28 -53.35 -59.32 -46.02 -52.73 -58.11 -45.15 -53.04 -58.71 3 0 17.52 -999 ? O1 SO4 D 144 >LEU.D 131 -47.77 -48.00 -58.28 -49.85 -48.67 -58.38 -48.81 -48.33 -58.33 3 0 20.26 -999 ? O3 SO4 C 143 >PRO.D 133 -41.70 -44.08 -56.53 -43.96 -43.85 -56.60 -42.83 -43.97 -56.56 3 0 19.01 -999 ? O3 SO4 C 143