REMARK SOURCE hebe.pdb HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 27-DEC-07 3BT5 COMPND UNCHARACTERIZED PROTEIN DUF305; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 22-197; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS R1; SOURCE 3 ORGANISM_TAXID: 243230; SOURCE 4 STRAIN: R1 / DSM 20539 / IFO 15346 / LMG 4051 / NCIB 9279; SOURCE 5 ATCC: 13939; SOURCE 6 GENE: DR_1099; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 10 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: BC-PSGX4(BC) AUTHOR U.A.RAMAGOPAL,Y.PATSKOVSKY,M.RUTTER,R.TORO,K.BAIN,A.J.MEYER, AUTHOR 2 A.POWELL,T.GHEYI,S.WASSERMAN,J.M.SAUDER,S.K.BURLEY,S.C.ALMO, AUTHOR 3 NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS AUTHOR 4 (NYSGXRC) HET CL A 200 1 SITE 1 AC1 4 THR A 62 ARG A 75 ARG A 79 ARG A 178 >PRO.A 27 -13.22 14.51 -28.44 -14.68 12.83 -28.84 -13.95 13.67 -28.64 3 0 28.30 -999 ? CL CL A 200 >PRO.A 28 -14.05 8.11 -28.06 -14.11 9.95 -26.73 -14.08 9.03 -27.40 3 0 27.18 -999 ? CL CL A 200 >ALA.A 29 -12.51 9.93 -22.72 -13.16 9.66 -21.38 -12.84 9.79 -22.05 2 0 22.22 -999 ? CL CL A 200 >THR~A 30 -8.89 8.70 -22.79 -7.59 10.44 -22.61 -8.24 9.57 -22.70 2 0 26.44 -999 ? CL CL A 200 >PRO~A 31 -7.07 4.72 -22.86 -7.90 6.14 -21.32 -7.49 5.43 -22.09 3 0 26.85 -999 ? CL CL A 200 >GLN~A 32 -4.33 9.94 -17.72 -2.89 11.42 -18.31 -3.61 10.68 -18.01 2 0 26.96 -999 ? CL CL A 200 >GLU~A 33 -9.00 12.16 -19.49 -9.84 13.13 -21.18 -9.42 12.64 -20.33 2 0 23.90 -999 ? CL CL A 200 >VAL~A 34 -11.20 7.10 -17.29 -12.22 5.61 -18.53 -11.71 6.35 -17.91 3 0 20.88 -999 ? CL CL A 200 >GLN~A 35 -6.58 4.90 -13.68 -4.53 4.37 -13.94 -5.56 4.64 -13.81 2 0 24.37 -999 ? CL CL A 200 >PHE~A 36 -8.29 11.64 -12.88 -8.71 13.82 -11.19 -8.50 12.73 -12.03 3 0 18.84 -999 ? CL CL A 200 >VAL~A 37 -12.18 9.37 -12.50 -13.78 10.41 -13.58 -12.98 9.89 -13.04 3 0 15.89 -999 ? CL CL A 200 >GLN~A 38 -12.97 4.19 -13.40 -12.23 2.63 -14.67 -12.60 3.41 -14.04 2 0 19.70 -999 ? CL CL A 200 >HIS~A 39 -7.53 5.12 -9.71 -6.37 3.52 -10.43 -6.95 4.32 -10.07 3 0 20.73 -999 ? CL CL A 200 >MET~A 40 -10.87 9.48 -7.59 -8.39 11.35 -7.26 -9.63 10.41 -7.43 2 0 17.04 -999 ? CL CL A 200 >LEU~A 41 -15.27 7.46 -8.10 -17.43 7.30 -7.96 -16.35 7.38 -8.03 3 0 10.97 -999 ? CL CL A 200 >GLN~A 42 -12.87 3.21 -6.05 -11.62 1.54 -6.49 -12.24 2.37 -6.27 2 0 17.13 -999 ? CL CL A 200 >HIS~A 43 -8.46 9.25 -3.14 -6.91 10.09 -2.00 -7.69 9.67 -2.57 3 0 17.20 -999 ? CL CL A 200 >HIS~A 44 -13.87 12.30 -3.79 -13.05 14.11 -4.47 -13.46 13.20 -4.13 3 0 11.49 -999 ? CL CL A 200 >ALA~A 45 -15.60 7.41 -1.01 -15.91 6.09 -1.68 -15.75 6.75 -1.35 2 0 10.57 -999 ? CL CL A 200 >GLN~A 46 -11.07 5.97 3.01 -9.02 5.52 3.04 -10.04 5.75 3.02 2 0 17.84 -999 ? CL CL A 200 >ALA~A 47 -13.56 10.30 3.10 -13.63 11.63 2.29 -13.60 10.97 2.69 2 0 12.14 -999 ? CL CL A 200 >LEU~A 48 -18.11 8.63 3.05 -18.88 9.97 1.41 -18.50 9.30 2.23 3 0 8.27 -999 ? CL CL A 200 >ASP~A 49 -14.67 5.03 5.34 -15.60 3.79 3.91 -15.14 4.41 4.62 2 0 13.78 -999 ? CL CL A 200 >LEU~A 50 -12.16 9.27 7.24 -10.20 8.55 6.68 -11.18 8.91 6.96 3 0 16.83 -999 ? CL CL A 200 >ALA~A 51 -16.07 10.94 8.72 -16.80 11.82 7.72 -16.43 11.38 8.22 2 0 13.00 -999 ? CL CL A 200 >ALA~A 52 -18.60 8.37 9.96 -18.94 7.04 9.30 -18.77 7.71 9.63 2 0 14.03 -999 ? CL CL A 200 >PRO~A 53 -14.98 6.79 11.94 -16.99 7.58 12.54 -15.98 7.18 12.24 3 0 17.81 -999 ? CL CL A 200 >MET~A 54 -16.52 11.23 14.09 -13.45 12.12 14.69 -14.98 11.68 14.39 2 0 20.62 -999 ? CL CL A 200 >LEU~A 55 -21.06 11.73 12.45 -20.95 13.38 11.06 -21.01 12.56 11.76 3 0 14.81 -999 ? CL CL A 200 >GLU~A 56 -21.36 6.66 14.35 -23.25 6.12 15.14 -22.30 6.39 14.74 2 0 18.64 -999 ? CL CL A 200 >ARG~A 57 -15.80 6.30 18.10 -13.32 6.01 19.97 -14.56 6.16 19.04 2 0 25.92 -999 ? CL CL A 200 >SER~A 58 -17.00 12.95 18.83 -15.81 14.97 18.22 -16.41 13.96 18.52 2 0 22.84 -999 ? CL CL A 200 >GLN.A 59 -19.39 13.75 23.10 -19.72 13.50 25.18 -19.56 13.62 24.14 2 0 28.24 -999 ? CL CL A 200 >GLN~A 60 -14.18 18.03 20.54 -13.57 19.79 21.56 -13.87 18.91 21.05 2 0 27.76 -999 ? CL CL A 200 >ARG~A 61 -21.93 22.72 19.01 -21.82 22.48 22.07 -21.87 22.60 20.54 2 0 27.00 -999 ? CL CL A 200 >THR~A 62 -15.91 21.68 15.89 -14.55 22.52 17.33 -15.23 22.10 16.61 2 0 -24.79 -999 ? CL CL A 200s >VAL~A 63 -14.84 18.21 14.71 -13.48 16.71 15.53 -14.16 17.46 15.12 3 0 21.37 -999 ? CL CL A 200 >ARG~A 64 -20.55 16.13 17.15 -22.29 13.77 16.24 -21.42 14.95 16.69 2 0 19.05 -999 ? CL CL A 200 >SER~A 65 -19.17 20.24 11.93 -20.01 22.01 13.39 -19.59 21.12 12.66 2 0 19.51 -999 ? CL CL A 200 >LEU~A 66 -14.63 19.88 10.55 -12.83 20.26 9.39 -13.73 20.07 9.97 3 0 18.62 -999 ? CL CL A 200 >ALA~A 67 -16.70 16.02 9.36 -16.82 14.93 10.44 -16.76 15.47 9.90 2 0 15.54 -999 ? CL CL A 200 >LEU~A 68 -21.27 17.59 8.87 -22.80 16.82 10.22 -22.04 17.21 9.54 3 0 13.53 -999 ? CL CL A 200 >ASP~A 69 -18.18 20.78 6.16 -19.43 22.14 7.17 -18.80 21.46 6.66 2 0 15.15 -999 ? CL CL A 200 >ILE~A 70 -15.03 16.64 4.98 -13.68 16.49 5.28 -14.35 16.56 5.13 3 0 13.78 -999 ? CL CL A 200 >GLN~A 71 -19.11 12.94 5.74 -20.44 11.79 6.92 -19.77 12.37 6.33 2 0 10.41 -999 ? CL CL A 200 >LEU~A 72 -21.84 18.05 2.46 -23.79 17.76 3.46 -22.81 17.90 2.96 3 0 8.45 -999 ? CL CL A 200 >SER~A 73 -18.33 18.32 -0.34 -16.31 19.55 -0.88 -17.32 18.93 -0.61 2 0 11.58 -999 ? CL CL A 200 >GLN~A 74 -14.70 13.98 -0.36 -13.98 15.99 -0.30 -14.34 14.99 -0.33 2 0 11.78 -999 ? CL CL A 200 >ARG~A 75 -22.39 12.13 0.94 -25.28 11.29 1.41 -23.83 11.71 1.18 2 0 -4.03 -999 ? CL CL A 200s >GLU~A 76 -21.36 18.81 -5.28 -20.88 20.87 -4.96 -21.12 19.84 -5.12 2 0 10.15 -999 ? CL CL A 200 >GLN~A 77 -16.29 17.41 -5.97 -14.51 18.16 -5.09 -15.40 17.78 -5.53 2 0 12.32 -999 ? CL CL A 200 >MET~A 78 -18.72 11.84 -6.27 -18.15 9.97 -2.61 -18.43 10.90 -4.44 2 0 6.86 -999 ? CL CL A 200 >ARG~A 79 -25.21 13.60 -5.84 -24.50 16.00 -4.05 -24.86 14.80 -4.95 2 0 -4.46 -999 ? CL CL A 200s >GLN~A 80 -20.08 16.85 -10.08 -18.75 18.52 -9.99 -19.41 17.69 -10.03 2 0 11.68 -999 ? CL CL A 200 >MET~A 81 -17.80 11.55 -11.20 -14.18 12.05 -9.18 -15.99 11.80 -10.19 2 0 12.49 -999 ? CL CL A 200 >GLU~A 82 -21.00 7.98 -8.88 -22.07 8.19 -7.03 -21.53 8.08 -7.95 2 0 6.36 -999 ? CL CL A 200 >ALA~A 83 -22.35 10.87 -13.90 -22.88 12.28 -13.77 -22.62 11.58 -13.83 2 0 11.38 -999 ? CL CL A 200 >MET~A 84 -19.22 11.06 -16.04 -16.34 13.56 -14.53 -17.78 12.31 -15.29 2 0 14.75 -999 ? CL CL A 200 >LEU~A 85 -18.21 6.52 -14.56 -16.21 6.30 -13.81 -17.21 6.41 -14.18 3 0 14.88 -999 ? CL CL A 200 >GLY~A 86 -22.21 6.74 -16.66 -21.64 7.19 -17.04 -21.92 6.97 -16.85 1 0 15.20 -999 ? CL CL A 200 >ARG~A 87 -22.75 12.89 -19.38 -21.34 14.27 -17.01 -22.04 13.58 -18.19 2 0 15.06 -999 ? CL CL A 200 >TRP~A 88 -17.59 10.15 -20.61 -14.60 10.71 -18.11 -16.10 10.43 -19.36 3 0 18.96 -999 ? CL CL A 200 >GLY~A 89 -20.35 4.04 -20.44 -19.63 4.35 -20.15 -19.99 4.20 -20.30 1 0 20.00 -999 ? CL CL A 200 >GLN.A 90 -15.71 4.47 -19.39 -14.49 3.01 -20.36 -15.10 3.74 -19.88 2 0 22.36 -999 ? CL CL A 200 >PRO.A 91 -15.98 -0.50 -16.22 -17.51 1.10 -15.79 -16.74 0.30 -16.01 3 0 19.43 -999 ? CL CL A 200 >PRO.A 92 -18.33 0.57 -10.85 -16.81 1.52 -12.24 -17.57 1.04 -11.54 3 0 15.76 -999 ? CL CL A 200 >GLY.A 93 -12.75 0.89 -11.29 -13.39 0.58 -10.91 -13.07 0.74 -11.10 1 0 18.43 -999 ? CL CL A 200 >GLU.A 94 -10.34 -3.13 -12.24 -9.40 -1.37 -12.96 -9.86 -2.25 -12.60 2 0 22.76 -999 ? CL CL A 200 >PRO.A 95 -12.09 -3.90 -5.97 -10.95 -2.25 -6.99 -11.52 -3.07 -6.48 3 0 20.30 -999 ? CL CL A 200 >ILE.A 96 -7.31 1.25 -5.07 -7.05 2.58 -5.16 -7.18 1.91 -5.11 3 0 20.33 -999 ? CL CL A 200 >SER~A 97 -4.76 -2.48 -3.89 -2.46 -1.95 -4.66 -3.61 -2.22 -4.28 2 0 26.29 -999 ? CL CL A 200 >PRO~A 98 -4.54 -3.92 0.29 -3.93 -2.12 -0.91 -4.24 -3.02 -0.31 3 0 25.41 -999 ? CL CL A 200 >GLU~A 99 2.24 -0.75 -2.12 3.57 -1.65 -3.54 2.91 -1.20 -2.83 2 0 31.38 -999 ? CL CL A 200 >HIS~A 100 -0.71 0.53 -6.16 0.77 -0.46 -7.29 0.03 0.03 -6.73 3 0 27.76 -999 ? CL CL A 200 >ALA~A 101 -4.18 3.00 -1.80 -5.24 2.18 -1.05 -4.71 2.59 -1.43 2 0 21.82 -999 ? CL CL A 200 >ARG~A 102 1.41 2.49 3.05 4.36 3.20 3.49 2.89 2.85 3.27 2 0 30.96 -999 ? CL CL A 200 >MET~A 103 0.49 5.73 -1.97 2.95 3.60 -4.33 1.72 4.66 -3.15 2 0 28.96 -999 ? CL CL A 200 >MET~A 104 -2.64 7.61 -2.88 -5.27 5.55 -5.26 -3.96 6.58 -4.07 2 0 20.65 -999 ? CL CL A 200 >GLY.A 105 -2.75 8.85 0.75 -3.20 8.23 0.48 -2.97 8.54 0.61 1 0 22.45 -999 ? CL CL A 200 >MET.A 106 -5.74 6.64 1.59 -7.71 5.23 -1.77 -6.73 5.94 -0.09 2 0 18.29 -999 ? CL CL A 200 >ALA.A 107 -5.99 5.33 5.15 -7.06 5.78 6.16 -6.52 5.55 5.66 2 0 20.63 -999 ? CL CL A 200 >SER~A 108 -5.22 1.67 5.73 -4.03 1.32 7.77 -4.62 1.50 6.75 2 0 25.42 -999 ? CL CL A 200 >GLU~A 109 -8.66 -3.20 7.26 -8.64 -5.09 6.26 -8.65 -4.14 6.76 2 0 24.96 -999 ? CL CL A 200 >ALA~A 110 -6.18 -0.52 10.48 -4.78 -0.95 10.84 -5.48 -0.74 10.66 2 0 27.22 -999 ? CL CL A 200 >GLU~A 111 -3.78 4.06 9.58 -2.66 4.99 8.05 -3.22 4.52 8.82 2 0 25.44 -999 ? CL CL A 200 >VAL~A 112 -9.75 3.55 9.56 -11.00 3.45 7.78 -10.38 3.50 8.67 3 0 20.05 -999 ? CL CL A 200 >ALA~A 113 -10.55 1.09 12.39 -10.09 -0.35 12.48 -10.32 0.37 12.43 2 0 24.27 -999 ? CL CL A 200 >GLY~A 114 -8.51 3.25 14.83 -9.23 3.42 14.43 -8.87 3.33 14.63 1 0 25.29 -999 ? CL CL A 200 >LEU~A 115 -11.64 6.61 13.23 -10.41 8.01 12.11 -11.03 7.31 12.67 3 0 20.99 -999 ? CL CL A 200 >SER~A 116 -13.61 3.60 16.16 -15.09 2.99 14.32 -14.35 3.30 15.24 2 0 21.35 -999 ? CL CL A 200 >THR~A 117 -11.30 1.97 18.74 -10.24 0.51 17.48 -10.77 1.24 18.11 2 0 27.20 -999 ? CL CL A 200 >LEU~A 118 -8.04 5.58 19.06 -6.16 5.05 18.13 -7.10 5.32 18.60 3 0 28.31 -999 ? CL CL A 200 >PRO~A 119 -7.75 6.16 24.00 -9.42 6.45 22.48 -8.58 6.31 23.24 3 0 30.94 -999 ? CL CL A 200 >VAL~A 120 -11.95 9.67 21.42 -14.08 10.07 21.52 -13.01 9.87 21.47 3 0 26.81 -999 ? CL CL A 200 >GLU~A 121 -9.81 12.82 24.25 -9.65 10.80 24.95 -9.73 11.81 24.60 2 0 31.40 -999 ? CL CL A 200 >GLN~A 122 -5.32 9.41 21.72 -4.56 7.61 22.56 -4.94 8.51 22.14 2 0 32.50 -999 ? CL CL A 200 >ALA~A 123 -9.40 9.40 17.32 -10.69 8.64 17.59 -10.04 9.02 17.46 2 0 24.78 -999 ? CL CL A 200 >GLU~A 124 -12.13 13.78 18.12 -12.64 14.73 19.92 -12.38 14.25 19.02 2 0 25.70 -999 ? CL CL A 200 >ARG~A 125 -4.51 15.22 19.00 -2.69 17.40 17.82 -3.60 16.31 18.41 2 0 30.55 -999 ? CL CL A 200 >GLN~A 126 -5.12 8.68 14.93 -3.58 8.49 13.46 -4.35 8.59 14.19 2 0 26.76 -999 ? CL CL A 200 >PHE~A 127 -11.43 12.78 11.40 -13.06 14.08 9.56 -12.25 13.43 10.48 3 0 18.14 -999 ? CL CL A 200 >LEU~A 128 -7.36 16.24 11.97 -8.93 17.57 12.69 -8.14 16.90 12.33 3 0 22.89 -999 ? CL CL A 200 >ARG~A 129 -1.65 13.07 13.07 -2.41 12.27 15.91 -2.03 12.67 14.49 2 0 29.00 -999 ? CL CL A 200 >LEU~A 130 -6.52 9.71 8.51 -5.79 7.87 9.39 -6.15 8.79 8.95 3 0 22.08 -999 ? CL CL A 200 >MET~A 131 -7.96 13.23 6.21 -11.07 13.17 4.75 -9.51 13.20 5.48 2 0 15.57 -999 ? CL CL A 200 >ILE~A 132 -4.24 16.46 6.61 -3.68 17.52 7.29 -3.96 16.99 6.95 3 0 23.45 -999 ? CL CL A 200 >ARG~A 133 -0.57 9.96 5.00 -0.60 10.29 8.06 -0.59 10.13 6.53 2 0 26.43 -999 ? CL CL A 200 >HIS~A 134 -8.36 11.16 1.91 -10.04 11.11 0.67 -9.20 11.14 1.29 3 0 16.04 -999 ? CL CL A 200 >HIS~A 135 -8.49 16.36 1.74 -10.56 16.17 2.09 -9.52 16.27 1.91 3 0 16.49 -999 ? CL CL A 200 >GLN~A 136 -1.68 16.78 1.87 -0.34 16.62 3.51 -1.01 16.70 2.69 2 0 25.61 -999 ? CL CL A 200 >GLY~A 137 -2.90 12.45 -2.12 -3.43 13.10 -2.15 -3.16 12.78 -2.14 1 0 21.87 -999 ? CL CL A 200 >ALA~A 138 -6.02 13.63 -4.00 -7.38 14.02 -3.41 -6.70 13.83 -3.70 2 0 17.54 -999 ? CL CL A 200 >VAL~A 139 -4.27 16.89 -4.92 -3.95 18.84 -4.00 -4.11 17.87 -4.46 3 0 21.61 -999 ? CL CL A 200 >ALA~A 140 -1.17 14.99 -6.08 -0.25 14.22 -5.14 -0.71 14.61 -5.61 2 0 24.76 -999 ? CL CL A 200 >MET~A 141 -3.23 12.70 -8.33 -4.71 9.20 -7.14 -3.97 10.95 -7.74 2 0 20.74 -999 ? CL CL A 200 >THR~A 142 -5.16 15.62 -9.75 -7.09 16.15 -9.05 -6.12 15.88 -9.40 2 0 19.32 -999 ? CL CL A 200 >LEU~A 143 -1.26 18.55 -9.82 -1.36 20.11 -8.29 -1.31 19.33 -9.06 3 0 25.47 -999 ? CL CL A 200 >PRO~A 144 -0.28 14.68 -12.15 -1.47 16.37 -13.03 -0.87 15.53 -12.59 3 0 26.17 -999 ? CL CL A 200 >MET~A 145 -4.88 16.24 -15.09 -5.43 13.03 -15.47 -5.16 14.63 -15.27 2 0 23.28 -999 ? CL CL A 200 >LEU~A 146 -4.22 21.02 -14.18 -5.37 21.53 -12.38 -4.80 21.28 -13.28 3 0 24.56 -999 ? CL CL A 200 >ASP~A 147 -1.44 19.88 -18.71 -0.71 21.70 -17.93 -1.07 20.79 -18.32 2 0 30.21 -999 ? CL CL A 200 >ALA.A 150 -7.53 17.23 -20.84 -7.59 16.95 -19.33 -7.56 17.09 -20.08 2 0 24.54 -999 ? CL CL A 200 >ARG~A 151 -13.89 14.20 -21.57 -15.42 13.31 -24.04 -14.65 13.76 -22.81 2 0 23.48 -999 ? CL CL A 200 >PRO~A 152 -13.23 20.68 -23.01 -12.68 19.58 -21.11 -12.95 20.13 -22.06 3 0 24.27 -999 ? CL CL A 200 >GLU~A 153 -16.05 16.22 -19.08 -17.75 15.01 -19.45 -16.90 15.62 -19.27 2 0 18.57 -999 ? CL CL A 200 >VAL~A 154 -12.34 16.57 -16.70 -11.43 14.61 -17.13 -11.88 15.59 -16.91 3 0 19.65 -999 ? CL CL A 200 >GLU~A 155 -8.87 21.77 -17.09 -8.38 23.24 -18.51 -8.62 22.50 -17.80 2 0 25.57 -999 ? CL CL A 200 >ARG~A 156 -15.74 23.52 -16.71 -16.58 22.18 -19.33 -16.16 22.85 -18.02 2 0 21.35 -999 ? CL CL A 200 >LEU~A 157 -13.94 17.17 -12.65 -14.39 15.52 -11.30 -14.16 16.35 -11.98 3 0 14.89 -999 ? CL CL A 200 >ALA~A 158 -9.90 18.50 -11.60 -8.82 18.28 -12.64 -9.36 18.39 -12.12 2 0 19.94 -999 ? CL CL A 200 >ARG~A 159 -9.25 25.05 -13.46 -12.04 25.31 -14.71 -10.65 25.18 -14.08 2 0 22.18 -999 ? CL CL A 200 >GLN~A 160 -14.92 22.41 -9.65 -16.66 21.61 -10.61 -15.79 22.01 -10.13 2 0 15.05 -999 ? CL CL A 200 >ILE~A 161 -10.69 17.57 -7.26 -10.67 16.17 -7.43 -10.68 16.87 -7.34 3 0 15.71 -999 ? CL CL A 200 >VAL~A 162 -7.84 20.75 -6.11 -5.94 21.03 -7.25 -6.89 20.89 -6.68 3 0 20.47 -999 ? CL CL A 200 >VAL~A 163 -9.52 23.92 -4.83 -10.47 25.70 -5.74 -9.99 24.81 -5.28 3 0 19.86 -999 ? CL CL A 200 >THR~A 164 -11.84 22.08 -2.46 -13.83 21.30 -2.69 -12.83 21.69 -2.58 2 0 14.48 -999 ? CL CL A 200 >GLN~A 165 -8.69 17.74 -2.75 -10.11 16.67 -1.72 -9.40 17.20 -2.24 2 0 15.46 -999 ? CL CL A 200 >ARG~A 166 -4.39 24.54 -2.86 -5.53 26.04 -5.27 -4.96 25.29 -4.06 2 0 24.07 -999 ? CL CL A 200 >GLY~A 167 -9.45 24.62 1.36 -9.17 23.83 1.47 -9.31 24.23 1.41 1 0 20.34 -999 ? CL CL A 200 >GLU~A 168 -12.45 20.73 2.67 -13.61 19.11 1.96 -13.03 19.92 2.31 2 0 14.07 -999 ? CL CL A 200 >ILE~A 169 -5.46 20.71 3.27 -4.39 20.04 2.65 -4.92 20.37 2.96 3 0 22.30 -999 ? CL CL A 200 >ARG~A 170 -4.05 26.89 5.24 -3.37 28.87 3.02 -3.71 27.88 4.13 2 0 27.92 -999 ? CL CL A 200 >THR~A 171 -9.16 24.22 7.79 -11.30 24.47 7.56 -10.23 24.34 7.68 2 0 21.06 -999 ? CL CL A 200 >MET~A 172 -8.10 20.84 9.12 -9.29 17.40 7.14 -8.69 19.12 8.13 2 0 19.09 -999 ? CL CL A 200 >GLU~A 173 -3.10 21.62 7.91 -1.88 22.36 6.37 -2.49 21.99 7.14 2 0 26.73 -999 ? CL CL A 200 >GLY~A 174 -6.13 25.00 11.81 -6.28 24.16 11.88 -6.21 24.58 11.84 1 0 26.97 -999 ? CL CL A 200 >VAL~A 175 -8.42 22.69 13.77 -10.40 21.83 13.41 -9.41 22.26 13.59 3 0 24.60 -999 ? CL CL A 200 >LEU~A 176 -4.74 19.51 13.52 -3.76 17.61 13.79 -4.25 18.56 13.66 3 0 27.00 -999 ? CL CL A 200 >GLY~A 177 -3.59 23.18 15.91 -4.35 22.98 16.10 -3.97 23.08 16.00 1 0 30.31 -999 ? CL CL A 200 >ARG~A 178 -8.48 27.32 16.57 -8.71 27.14 13.49 -8.60 27.23 15.03 2 0 -27.39 -999 ? CL CL A 200s >LEU~A 179 -7.49 19.57 18.81 -9.43 18.80 18.18 -8.46 19.19 18.49 3 0 27.62 -999 ? CL CL A 200