HEADER DNA 29-JAN-01 XXXX TITLE 1.6 A STRUCTURE OF THE A-DECAMER GCGTATACGC WITH A SINGLE TITLE 2 2'-O-AMINOOXYETHYL THYMINE IN PLACE OF T6, BA-FORM COMPND 5'-D(*GP*CP*GP*TP*AP*(127)P*AP*CP*GP*C)-3' KEYWDS A-FORM DOUBLE HELIX, MODIFIED SUGAR, DNA EXPDTA X-RAY DIFFRACTION AUTHOR V.TERESHKO, C.J.WILDS, G.MINASOV, T.P.PRAKASH, M.A.MAIER, AUTHOR 2 A.HOWARD, Z.WAWRZAK, M.MANOHARAN, M.EGLI JRNL AUTH V.TERESHKO, C.J.WILDS, G.MINASOV, T.P.PRAKASH, JRNL AUTH 2 M.A.MAIER, A.HOWARD, Z.WAWRZAK, M.MANOHARAN, M.EGLI JRNL TITL DETECTION OF ALKALI METAL IONS IN DNA CRYSTALS JRNL TITL 2 USING STATE-OF-THE-ART X-RAY DIFFRACTION JRNL TITL 3 EXPERIMENTS. JRNL REF NUCLEIC ACIDS RES. V. 29 1208 2001 JRNL REFN ASTM NARHAD UK ISSN 0305-1048 JRNL PMID 11222771 JRNL DOI 10.1093/NAR/29.5.1208 SEQRES 1 A 10 DG DC DG DT DA 127 DA DC DG DC SEQRES 1 B 10 DG DC DG DT DA 127 DA DC DG DC HETNAM 127 2'-O-AMINOOXY-ETHYL-5-METHYL-URIDINE-5'-MONOPHOSPHATE HETNAM BA BARIUM ION FORMUL 1 127 2(C12 H20 N3 O10 P) FORMUL 3 BA BA 2+ FORMUL 4 HOH *113(H2 O) LINK O3' DA A 5 P 127 A 6 1555 1555 1.59 LINK O3' 127 A 6 P DA A 7 1555 1555 1.60 LINK BA BA A 22 O HOH A 118 1555 1555 3.08 LINK BA BA A 22 O HOH A 145 1555 1555 2.45 LINK BA BA A 22 O HOH A 171 1555 1555 2.64 LINK BA BA A 22 O HOH B 144 1555 1555 2.59 LINK BA BA A 22 O HOH A 180 1555 1555 3.54 LINK BA BA A 22 O HOH B 213 1555 1555 2.78 LINK BA BA A 22 O6 DG A 3 1555 1555 2.75 LINK O3' DA B 15 P 127 B 16 1555 1555 1.61 LINK O3' 127 B 16 P DA B 17 1555 1555 1.61 SITE 1 AC1 6 DG A 3 HOH A 118 HOH A 145 HOH A 171 SITE 2 AC1 6 HOH B 144 HOH B 213 CRYST1 24.990 44.570 45.120 90.00 90.00 90.00 P 21 21 21 8 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.040016 0.000000 0.000000 0.00000 SCALE2 0.000000 0.022437 0.000000 0.00000 SCALE3 0.000000 0.000000 0.022163 0.00000 MODEL 1 ATOM 1 O5' DG A 1 -4.024 -5.461 16.124 1.00 29.43 O ATOM 2 C5' DG A 1 -3.879 -6.352 17.237 1.00 27.14 C ATOM 3 C4' DG A 1 -3.672 -7.729 16.652 1.00 26.22 C ATOM 4 O4' DG A 1 -4.790 -8.040 15.791 1.00 24.97 O ATOM 5 C3' DG A 1 -2.451 -7.814 15.746 1.00 24.90 C ATOM 6 O3' DG A 1 -1.305 -8.141 16.522 1.00 24.45 O ATOM 7 C2' DG A 1 -2.839 -8.916 14.763 1.00 24.67 C ATOM 8 C1' DG A 1 -4.340 -8.692 14.591 1.00 24.13 C ATOM 9 N9 DG A 1 -4.722 -7.833 13.472 1.00 22.66 N ATOM 10 C8 DG A 1 -5.380 -6.629 13.571 1.00 22.77 C ATOM 11 N7 DG A 1 -5.578 -6.051 12.416 1.00 22.29 N ATOM 12 C5 DG A 1 -5.034 -6.940 11.490 1.00 21.82 C ATOM 13 C6 DG A 1 -4.961 -6.867 10.060 1.00 21.28 C ATOM 14 O6 DG A 1 -5.397 -5.992 9.298 1.00 21.01 O ATOM 15 N1 DG A 1 -4.303 -7.971 9.531 1.00 20.54 N ATOM 16 C2 DG A 1 -3.808 -9.018 10.277 1.00 20.16 C ATOM 17 N2 DG A 1 -3.187 -10.007 9.608 1.00 19.90 N ATOM 18 N3 DG A 1 -3.894 -9.102 11.587 1.00 20.95 N ATOM 19 C4 DG A 1 -4.502 -8.038 12.127 1.00 21.92 C ATOM 20 P DC A 2 0.091 -7.437 16.206 1.00 24.31 P ATOM 21 OP1 DC A 2 1.065 -7.815 17.266 1.00 24.38 O ATOM 22 OP2 DC A 2 -0.161 -5.989 15.894 1.00 24.20 O ATOM 23 O5' DC A 2 0.610 -8.119 14.858 1.00 23.10 O ATOM 24 C5' DC A 2 0.873 -9.521 14.775 1.00 21.81 C ATOM 25 C4' DC A 2 1.045 -9.909 13.323 1.00 20.34 C ATOM 26 O4' DC A 2 -0.181 -9.637 12.613 1.00 19.69 O ATOM 27 C3' DC A 2 2.098 -9.107 12.573 1.00 19.59 C ATOM 28 O3' DC A 2 3.367 -9.693 12.766 1.00 20.62 O ATOM 29 C2' DC A 2 1.632 -9.192 11.125 1.00 18.59 C ATOM 30 C1' DC A 2 0.112 -9.209 11.268 1.00 18.87 C ATOM 31 N1 DC A 2 -0.545 -7.901 11.036 1.00 18.90 N ATOM 32 C2 DC A 2 -0.878 -7.549 9.722 1.00 19.23 C ATOM 33 O2 DC A 2 -0.537 -8.307 8.805 1.00 19.96 O ATOM 34 N3 DC A 2 -1.548 -6.384 9.479 1.00 18.98 N ATOM 35 C4 DC A 2 -1.860 -5.584 10.495 1.00 18.84 C ATOM 36 N4 DC A 2 -2.533 -4.473 10.215 1.00 18.99 N ATOM 37 C5 DC A 2 -1.496 -5.901 11.850 1.00 18.38 C ATOM 38 C6 DC A 2 -0.841 -7.057 12.068 1.00 19.51 C ATOM 39 P DG A 3 4.686 -8.855 12.431 1.00 21.02 P ATOM 40 OP1 DG A 3 5.848 -9.712 12.733 1.00 21.82 O ATOM 41 OP2 DG A 3 4.529 -7.548 13.106 1.00 21.61 O ATOM 42 O5' DG A 3 4.515 -8.684 10.851 1.00 20.97 O ATOM 43 C5' DG A 3 5.016 -7.541 10.149 1.00 20.46 C ATOM 44 C4' DG A 3 4.609 -7.651 8.697 1.00 19.91 C ATOM 45 O4' DG A 3 3.175 -7.523 8.650 1.00 19.47 O ATOM 46 C3' DG A 3 5.137 -6.551 7.800 1.00 20.44 C ATOM 47 O3' DG A 3 6.394 -6.923 7.256 1.00 19.80 O ATOM 48 C2' DG A 3 4.070 -6.445 6.733 1.00 19.37 C ATOM 49 C1' DG A 3 2.808 -6.740 7.520 1.00 18.89 C ATOM 50 N9 DG A 3 2.096 -5.559 8.006 1.00 18.73 N ATOM 51 C8 DG A 3 1.789 -5.248 9.302 1.00 18.38 C ATOM 52 N7 DG A 3 1.056 -4.171 9.402 1.00 18.54 N ATOM 53 C5 DG A 3 0.879 -3.744 8.098 1.00 18.45 C ATOM 54 C6 DG A 3 0.153 -2.661 7.587 1.00 18.58 C ATOM 55 O6 DG A 3 -0.518 -1.822 8.222 1.00 18.81 O ATOM 56 N1 DG A 3 0.237 -2.590 6.196 1.00 18.27 N ATOM 57 C2 DG A 3 0.949 -3.459 5.410 1.00 18.77 C ATOM 58 N2 DG A 3 0.944 -3.228 4.082 1.00 18.55 N ATOM 59 N3 DG A 3 1.628 -4.489 5.888 1.00 18.73 N ATOM 60 C4 DG A 3 1.546 -4.572 7.225 1.00 18.60 C ATOM 61 P DT A 4 7.481 -5.794 6.955 1.00 20.17 P ATOM 62 OP1 DT A 4 8.722 -6.570 6.597 1.00 20.49 O ATOM 63 OP2 DT A 4 7.536 -4.771 7.990 1.00 19.10 O ATOM 64 O5' DT A 4 6.917 -5.042 5.678 1.00 19.13 O ATOM 65 C5' DT A 4 7.040 -5.632 4.374 1.00 19.39 C ATOM 66 C4' DT A 4 6.690 -4.606 3.322 1.00 18.96 C ATOM 67 O4' DT A 4 5.289 -4.249 3.454 1.00 20.08 O ATOM 68 C3' DT A 4 7.424 -3.292 3.511 1.00 19.41 C ATOM 69 O3' DT A 4 8.741 -3.315 2.946 1.00 21.10 O ATOM 70 C2' DT A 4 6.505 -2.286 2.852 1.00 18.52 C ATOM 71 C1' DT A 4 5.120 -2.864 3.137 1.00 19.13 C ATOM 72 N1 DT A 4 4.464 -2.222 4.284 1.00 17.53 N ATOM 73 C2 DT A 4 3.639 -1.141 4.053 1.00 18.08 C ATOM 74 O2 DT A 4 3.476 -0.659 2.937 1.00 17.87 O ATOM 75 N3 DT A 4 3.022 -0.642 5.178 1.00 17.81 N ATOM 76 C4 DT A 4 3.208 -1.072 6.492 1.00 16.58 C ATOM 77 O4 DT A 4 2.625 -0.511 7.423 1.00 16.10 O ATOM 78 C5 DT A 4 4.130 -2.174 6.657 1.00 16.50 C ATOM 79 C7 DT A 4 4.455 -2.650 8.042 1.00 17.80 C ATOM 80 C6 DT A 4 4.679 -2.705 5.560 1.00 17.54 C ATOM 81 P DA A 5 9.862 -2.400 3.589 1.00 22.31 P ATOM 82 OP1 DA A 5 11.133 -2.702 2.841 1.00 23.92 O ATOM 83 OP2 DA A 5 9.857 -2.481 5.074 1.00 23.27 O ATOM 84 O5' DA A 5 9.365 -0.928 3.240 1.00 22.00 O ATOM 85 C5' DA A 5 9.511 0.161 4.154 1.00 21.79 C ATOM 86 C4' DA A 5 8.747 1.353 3.636 1.00 20.99 C ATOM 87 O4' DA A 5 7.338 1.067 3.650 1.00 19.83 O ATOM 88 C3' DA A 5 8.881 2.620 4.456 1.00 21.45 C ATOM 89 O3' DA A 5 10.098 3.308 4.125 1.00 22.30 O ATOM 90 C2' DA A 5 7.632 3.380 4.071 1.00 20.04 C ATOM 91 C1' DA A 5 6.604 2.252 3.911 1.00 19.65 C ATOM 92 N9 DA A 5 5.867 2.034 5.155 1.00 19.25 N ATOM 93 C8 DA A 5 6.056 1.040 6.088 1.00 18.88 C ATOM 94 N7 DA A 5 5.271 1.149 7.135 1.00 18.46 N ATOM 95 C5 DA A 5 4.504 2.272 6.862 1.00 18.41 C ATOM 96 C6 DA A 5 3.469 2.901 7.576 1.00 18.52 C ATOM 97 N6 DA A 5 3.014 2.453 8.744 1.00 17.52 N ATOM 98 N1 DA A 5 2.912 4.004 7.035 1.00 17.77 N ATOM 99 C2 DA A 5 3.356 4.424 5.859 1.00 18.60 C ATOM 100 N3 DA A 5 4.320 3.905 5.086 1.00 18.65 N ATOM 101 C4 DA A 5 4.851 2.824 5.653 1.00 18.83 C HETATM 102 P 127 A 6 10.822 4.199 5.229 1.00 22.87 P HETATM 103 OP1 127 A 6 12.081 4.720 4.531 1.00 24.01 O HETATM 104 OP2 127 A 6 10.968 3.420 6.437 1.00 22.58 O HETATM 105 O5' 127 A 6 9.813 5.408 5.444 1.00 21.86 O HETATM 106 C5' 127 A 6 9.482 6.287 4.363 1.00 22.54 C HETATM 107 C4' 127 A 6 8.450 7.289 4.809 1.00 22.40 C HETATM 108 O4' 127 A 6 7.184 6.606 4.982 1.00 22.29 O HETATM 109 C3' 127 A 6 8.685 7.933 6.160 1.00 22.86 C HETATM 110 O3' 127 A 6 9.617 9.000 6.082 1.00 22.21 O HETATM 111 C2' 127 A 6 7.287 8.422 6.497 1.00 22.43 C HETATM 112 O2' 127 A 6 6.990 9.526 5.649 1.00 23.27 O HETATM 113 C1' 127 A 6 6.475 7.202 6.059 1.00 21.97 C HETATM 114 N1 127 A 6 6.338 6.205 7.155 1.00 21.23 N HETATM 115 C2 127 A 6 5.284 6.422 7.996 1.00 20.99 C HETATM 116 O2 127 A 6 4.526 7.379 7.858 1.00 21.78 O HETATM 117 N3 127 A 6 5.143 5.505 9.003 1.00 20.99 N HETATM 118 C4 127 A 6 5.961 4.432 9.275 1.00 21.01 C HETATM 119 O4 127 A 6 5.729 3.711 10.246 1.00 20.73 O HETATM 120 C5 127 A 6 7.068 4.252 8.354 1.00 21.05 C HETATM 121 C5M 127 A 6 8.022 3.115 8.583 1.00 20.32 C HETATM 122 C6 127 A 6 7.194 5.134 7.334 1.00 21.13 C HETATM 123 CA' 127 A 6 5.825 10.256 5.970 1.00 24.78 C HETATM 124 CB' 127 A 6 5.677 11.256 4.963 1.00 26.96 C HETATM 125 OC' 127 A 6 6.716 12.222 5.143 1.00 29.45 O HETATM 126 ND' 127 A 6 6.404 13.329 4.225 1.00 31.19 N ATOM 127 P DA A 7 10.487 9.360 7.377 1.00 23.11 P ATOM 128 OP1 DA A 7 11.536 10.350 6.899 1.00 23.33 O ATOM 129 OP2 DA A 7 10.922 8.149 8.049 1.00 22.22 O ATOM 130 O5' DA A 7 9.466 10.108 8.342 1.00 22.20 O ATOM 131 C5' DA A 7 8.898 11.358 7.978 1.00 22.43 C ATOM 132 C4' DA A 7 7.902 11.790 9.023 1.00 21.63 C ATOM 133 O4' DA A 7 6.765 10.897 8.984 1.00 21.59 O ATOM 134 C3' DA A 7 8.400 11.725 10.459 1.00 21.83 C ATOM 135 O3' DA A 7 9.161 12.877 10.826 1.00 21.74 O ATOM 136 C2' DA A 7 7.103 11.637 11.234 1.00 21.41 C ATOM 137 C1' DA A 7 6.242 10.763 10.314 1.00 21.21 C ATOM 138 N9 DA A 7 6.372 9.359 10.702 1.00 20.02 N ATOM 139 C8 DA A 7 7.263 8.396 10.267 1.00 19.91 C ATOM 140 N7 DA A 7 7.133 7.242 10.888 1.00 19.76 N ATOM 141 C5 DA A 7 6.083 7.463 11.773 1.00 19.26 C ATOM 142 C6 DA A 7 5.469 6.644 12.744 1.00 19.40 C ATOM 143 N6 DA A 7 5.826 5.358 12.986 1.00 18.48 N ATOM 144 N1 DA A 7 4.478 7.190 13.478 1.00 19.25 N ATOM 145 C2 DA A 7 4.123 8.451 13.261 1.00 19.36 C ATOM 146 N3 DA A 7 4.616 9.329 12.358 1.00 19.47 N ATOM 147 C4 DA A 7 5.607 8.757 11.656 1.00 19.46 C ATOM 148 P DC A 8 10.178 12.790 12.056 1.00 22.52 P ATOM 149 OP1 DC A 8 10.870 14.115 12.056 1.00 22.65 O ATOM 150 OP2 DC A 8 10.950 11.522 12.000 1.00 21.46 O ATOM 151 O5' DC A 8 9.273 12.736 13.364 1.00 20.68 O ATOM 152 C5' DC A 8 8.421 13.846 13.696 1.00 20.41 C ATOM 153 C4' DC A 8 7.481 13.454 14.808 1.00 19.32 C ATOM 154 O4' DC A 8 6.661 12.350 14.370 1.00 20.07 O ATOM 155 C3' DC A 8 8.114 12.960 16.102 1.00 19.93 C ATOM 156 O3' DC A 8 8.558 14.037 16.920 1.00 22.38 O ATOM 157 C2' DC A 8 6.953 12.198 16.722 1.00 19.21 C ATOM 158 C1' DC A 8 6.318 11.542 15.509 1.00 18.93 C ATOM 159 N1 DC A 8 6.840 10.176 15.296 1.00 18.36 N ATOM 160 C2 DC A 8 6.289 9.157 16.040 1.00 18.29 C ATOM 161 O2 DC A 8 5.364 9.444 16.810 1.00 18.43 O ATOM 162 N3 DC A 8 6.771 7.885 15.923 1.00 18.38 N ATOM 163 C4 DC A 8 7.781 7.637 15.098 1.00 18.68 C ATOM 164 N4 DC A 8 8.279 6.377 15.050 1.00 18.09 N ATOM 165 C5 DC A 8 8.356 8.675 14.292 1.00 18.87 C ATOM 166 C6 DC A 8 7.858 9.914 14.423 1.00 18.97 C ATOM 167 P DG A 9 9.645 13.777 18.074 1.00 21.95 P ATOM 168 OP1 DG A 9 9.962 15.059 18.724 1.00 23.78 O ATOM 169 OP2 DG A 9 10.737 12.914 17.568 1.00 24.03 O ATOM 170 O5' DG A 9 8.887 12.892 19.148 1.00 21.22 O ATOM 171 C5' DG A 9 7.784 13.407 19.874 1.00 20.33 C ATOM 172 C4' DG A 9 7.287 12.368 20.857 1.00 20.15 C ATOM 173 O4' DG A 9 6.669 11.269 20.177 1.00 20.52 O ATOM 174 C3' DG A 9 8.363 11.695 21.698 1.00 21.22 C ATOM 175 O3' DG A 9 8.716 12.445 22.827 1.00 22.62 O ATOM 176 C2' DG A 9 7.664 10.429 22.157 1.00 20.84 C ATOM 177 C1' DG A 9 6.873 10.058 20.918 1.00 20.69 C ATOM 178 N9 DG A 9 7.638 9.133 20.085 1.00 20.82 N ATOM 179 C8 DG A 9 8.374 9.415 18.957 1.00 20.68 C ATOM 180 N7 DG A 9 8.937 8.355 18.435 1.00 20.94 N ATOM 181 C5 DG A 9 8.541 7.319 19.262 1.00 20.55 C ATOM 182 C6 DG A 9 8.839 5.902 19.210 1.00 20.33 C ATOM 183 O6 DG A 9 9.509 5.270 18.349 1.00 19.66 O ATOM 184 N1 DG A 9 8.257 5.232 20.289 1.00 20.22 N ATOM 185 C2 DG A 9 7.478 5.823 21.278 1.00 21.21 C ATOM 186 N2 DG A 9 6.948 5.018 22.233 1.00 21.08 N ATOM 187 N3 DG A 9 7.209 7.116 21.325 1.00 20.79 N ATOM 188 C4 DG A 9 7.755 7.791 20.294 1.00 20.47 C ATOM 189 P DC A 10 10.141 12.180 23.517 1.00 22.98 P ATOM 190 OP1 DC A 10 10.152 13.180 24.603 1.00 24.85 O ATOM 191 OP2 DC A 10 11.233 12.137 22.525 1.00 23.40 O ATOM 192 O5' DC A 10 10.006 10.719 24.127 1.00 21.65 O ATOM 193 C5' DC A 10 9.138 10.448 25.233 1.00 20.98 C ATOM 194 C4' DC A 10 9.354 9.037 25.730 1.00 20.40 C ATOM 195 O4' DC A 10 8.882 8.103 24.736 1.00 19.78 O ATOM 196 C3' DC A 10 10.789 8.598 26.028 1.00 20.58 C ATOM 197 O3' DC A 10 11.228 8.960 27.337 1.00 20.39 O ATOM 198 C2' DC A 10 10.686 7.090 25.916 1.00 20.52 C ATOM 199 C1' DC A 10 9.641 6.884 24.818 1.00 20.44 C ATOM 200 N1 DC A 10 10.264 6.638 23.507 1.00 20.42 N ATOM 201 C2 DC A 10 10.619 5.331 23.178 1.00 20.60 C ATOM 202 O2 DC A 10 10.361 4.405 23.997 1.00 21.05 O ATOM 203 N3 DC A 10 11.247 5.090 21.999 1.00 20.63 N ATOM 204 C4 DC A 10 11.547 6.107 21.184 1.00 20.00 C ATOM 205 N4 DC A 10 12.262 5.838 20.090 1.00 20.25 N ATOM 206 C5 DC A 10 11.151 7.455 21.478 1.00 20.56 C ATOM 207 C6 DC A 10 10.521 7.671 22.640 1.00 20.00 C TER 208 DC A 10 ATOM 209 O5' DG B 11 12.091 -3.822 17.295 1.00 30.93 O ATOM 210 C5' DG B 11 12.162 -4.977 18.176 1.00 29.92 C ATOM 211 C4' DG B 11 11.851 -4.606 19.609 1.00 28.51 C ATOM 212 O4' DG B 11 12.862 -3.706 20.115 1.00 28.93 O ATOM 213 C3' DG B 11 10.531 -3.870 19.788 1.00 27.89 C ATOM 214 O3' DG B 11 9.471 -4.809 19.943 1.00 27.04 O ATOM 215 C2' DG B 11 10.766 -3.035 21.037 1.00 27.73 C ATOM 216 C1' DG B 11 12.251 -2.687 20.928 1.00 27.12 C ATOM 217 N9 DG B 11 12.514 -1.391 20.295 1.00 25.80 N ATOM 218 C8 DG B 11 13.156 -1.157 19.095 1.00 25.52 C ATOM 219 N7 DG B 11 13.274 0.114 18.815 1.00 25.29 N ATOM 220 C5 DG B 11 12.668 0.762 19.893 1.00 24.71 C ATOM 221 C6 DG B 11 12.487 2.149 20.157 1.00 24.59 C ATOM 222 O6 DG B 11 12.850 3.122 19.469 1.00 24.46 O ATOM 223 N1 DG B 11 11.801 2.358 21.357 1.00 23.56 N ATOM 224 C2 DG B 11 11.345 1.363 22.179 1.00 23.65 C ATOM 225 N2 DG B 11 10.681 1.752 23.276 1.00 22.40 N ATOM 226 N3 DG B 11 11.515 0.075 21.948 1.00 24.16 N ATOM 227 C4 DG B 11 12.181 -0.153 20.802 1.00 24.83 C ATOM 228 P DC B 12 8.017 -4.452 19.406 1.00 27.95 P ATOM 229 OP1 DC B 12 7.069 -5.599 19.538 1.00 27.73 O ATOM 230 OP2 DC B 12 8.126 -3.731 18.108 1.00 27.48 O ATOM 231 O5' DC B 12 7.510 -3.382 20.473 1.00 26.68 O ATOM 232 C5' DC B 12 7.337 -3.766 21.853 1.00 25.34 C ATOM 233 C4' DC B 12 6.930 -2.564 22.669 1.00 23.56 C ATOM 234 O4' DC B 12 8.020 -1.614 22.700 1.00 23.08 O ATOM 235 C3' DC B 12 5.774 -1.784 22.086 1.00 23.68 C ATOM 236 O3' DC B 12 4.508 -2.364 22.396 1.00 23.68 O ATOM 237 C2' DC B 12 5.981 -0.401 22.674 1.00 22.53 C ATOM 238 C1' DC B 12 7.498 -0.278 22.674 1.00 21.93 C ATOM 239 N1 DC B 12 8.025 0.392 21.460 1.00 21.34 N ATOM 240 C2 DC B 12 7.983 1.802 21.389 1.00 20.75 C ATOM 241 O2 DC B 12 7.465 2.428 22.324 1.00 20.00 O ATOM 242 N3 DC B 12 8.490 2.423 20.309 1.00 20.54 N ATOM 243 C4 DC B 12 9.020 1.703 19.314 1.00 20.91 C ATOM 244 N4 DC B 12 9.569 2.355 18.293 1.00 20.01 N ATOM 245 C5 DC B 12 9.024 0.264 19.334 1.00 20.70 C ATOM 246 C6 DC B 12 8.535 -0.338 20.419 1.00 21.33 C ATOM 247 P DG B 13 3.312 -2.170 21.355 1.00 26.29 P ATOM 248 OP1 DG B 13 2.053 -2.813 21.827 1.00 25.15 O ATOM 249 OP2 DG B 13 3.876 -2.534 20.017 1.00 25.06 O ATOM 250 O5' DG B 13 3.020 -0.609 21.359 1.00 24.26 O ATOM 251 C5' DG B 13 2.407 -0.013 22.481 1.00 23.62 C ATOM 252 C4' DG B 13 2.408 1.486 22.333 1.00 22.62 C ATOM 253 O4' DG B 13 3.755 1.994 22.166 1.00 22.06 O ATOM 254 C3' DG B 13 1.667 2.017 21.129 1.00 21.54 C ATOM 255 O3' DG B 13 0.270 2.011 21.348 1.00 21.80 O ATOM 256 C2' DG B 13 2.218 3.426 21.033 1.00 21.91 C ATOM 257 C1' DG B 13 3.673 3.229 21.435 1.00 21.31 C ATOM 258 N9 DG B 13 4.512 3.138 20.250 1.00 21.70 N ATOM 259 C8 DG B 13 5.111 2.037 19.667 1.00 21.23 C ATOM 260 N7 DG B 13 5.779 2.337 18.578 1.00 21.10 N ATOM 261 C5 DG B 13 5.622 3.715 18.445 1.00 20.64 C ATOM 262 C6 DG B 13 6.122 4.620 17.463 1.00 20.42 C ATOM 263 O6 DG B 13 6.843 4.377 16.463 1.00 19.84 O ATOM 264 N1 DG B 13 5.707 5.918 17.718 1.00 20.04 N ATOM 265 C2 DG B 13 4.924 6.311 18.762 1.00 20.70 C ATOM 266 N2 DG B 13 4.607 7.628 18.808 1.00 20.17 N ATOM 267 N3 DG B 13 4.458 5.486 19.694 1.00 20.53 N ATOM 268 C4 DG B 13 4.842 4.218 19.467 1.00 21.13 C ATOM 269 P DT B 14 -0.703 1.964 20.103 1.00 21.58 P ATOM 270 OP1 DT B 14 -2.076 1.803 20.697 1.00 21.92 O ATOM 271 OP2 DT B 14 -0.191 1.031 19.113 1.00 20.75 O ATOM 272 O5' DT B 14 -0.629 3.442 19.482 1.00 20.40 O ATOM 273 C5' DT B 14 -1.073 4.562 20.242 1.00 21.52 C ATOM 274 C4' DT B 14 -0.839 5.854 19.492 1.00 20.74 C ATOM 275 O4' DT B 14 0.561 6.166 19.395 1.00 19.99 O ATOM 276 C3' DT B 14 -1.326 5.865 18.062 1.00 21.29 C ATOM 277 O3' DT B 14 -2.727 6.062 18.027 1.00 22.14 O ATOM 278 C2' DT B 14 -0.539 7.023 17.470 1.00 19.71 C ATOM 279 C1' DT B 14 0.814 6.832 18.138 1.00 19.56 C ATOM 280 N1 DT B 14 1.638 5.952 17.287 1.00 19.38 N ATOM 281 C2 DT B 14 2.321 6.608 16.282 1.00 19.08 C ATOM 282 O2 DT B 14 2.196 7.798 16.100 1.00 19.13 O ATOM 283 N3 DT B 14 3.109 5.818 15.491 1.00 18.85 N ATOM 284 C4 DT B 14 3.257 4.450 15.579 1.00 19.61 C ATOM 285 O4 DT B 14 4.010 3.865 14.807 1.00 19.31 O ATOM 286 C5 DT B 14 2.482 3.804 16.630 1.00 18.82 C ATOM 287 C7 DT B 14 2.571 2.310 16.755 1.00 18.83 C ATOM 288 C6 DT B 14 1.730 4.574 17.435 1.00 18.70 C ATOM 289 P DA B 15 -3.567 5.520 16.788 1.00 24.22 P ATOM 290 OP1 DA B 15 -5.004 5.859 17.130 1.00 24.24 O ATOM 291 OP2 DA B 15 -3.192 4.160 16.348 1.00 23.35 O ATOM 292 O5' DA B 15 -3.140 6.472 15.580 1.00 22.63 O ATOM 293 C5' DA B 15 -3.337 7.881 15.668 1.00 22.02 C ATOM 294 C4' DA B 15 -2.671 8.574 14.503 1.00 20.59 C ATOM 295 O4' DA B 15 -1.241 8.454 14.631 1.00 19.71 O ATOM 296 C3' DA B 15 -2.987 7.995 13.126 1.00 20.23 C ATOM 297 O3' DA B 15 -4.220 8.487 12.608 1.00 20.17 O ATOM 298 C2' DA B 15 -1.813 8.500 12.319 1.00 19.64 C ATOM 299 C1' DA B 15 -0.674 8.410 13.328 1.00 19.63 C ATOM 300 N9 DA B 15 0.016 7.138 13.193 1.00 18.39 N ATOM 301 C8 DA B 15 -0.112 5.985 13.939 1.00 18.59 C ATOM 302 N7 DA B 15 0.695 5.018 13.551 1.00 18.00 N ATOM 303 C5 DA B 15 1.402 5.577 12.482 1.00 17.61 C ATOM 304 C6 DA B 15 2.413 5.072 11.621 1.00 18.12 C ATOM 305 N6 DA B 15 2.963 3.852 11.737 1.00 17.96 N ATOM 306 N1 DA B 15 2.846 5.884 10.620 1.00 17.61 N ATOM 307 C2 DA B 15 2.326 7.106 10.513 1.00 17.36 C ATOM 308 N3 DA B 15 1.402 7.697 11.260 1.00 17.58 N ATOM 309 C4 DA B 15 0.975 6.872 12.237 1.00 18.39 C HETATM 310 P 127 B 16 -5.011 7.651 11.483 1.00 19.93 P HETATM 311 OP1 127 B 16 -6.407 8.279 11.487 1.00 21.54 O HETATM 312 OP2 127 B 16 -4.877 6.189 11.660 1.00 20.74 O HETATM 313 O5' 127 B 16 -4.329 8.012 10.106 1.00 20.68 O HETATM 314 C5' 127 B 16 -4.276 9.334 9.620 1.00 20.66 C HETATM 315 C4' 127 B 16 -3.379 9.381 8.417 1.00 20.90 C HETATM 316 O4' 127 B 16 -1.992 9.164 8.816 1.00 19.02 O HETATM 317 C3' 127 B 16 -3.612 8.280 7.380 1.00 21.37 C HETATM 318 O3' 127 B 16 -4.718 8.517 6.496 1.00 22.28 O HETATM 319 C2' 127 B 16 -2.301 8.345 6.615 1.00 21.02 C HETATM 320 O2' 127 B 16 -2.266 9.513 5.813 1.00 22.65 O HETATM 321 C1' 127 B 16 -1.312 8.489 7.775 1.00 20.09 C HETATM 322 N1 127 B 16 -0.878 7.162 8.274 1.00 19.59 N HETATM 323 C2 127 B 16 0.168 6.571 7.609 1.00 19.72 C HETATM 324 O2 127 B 16 0.695 7.072 6.621 1.00 19.95 O HETATM 325 N3 127 B 16 0.566 5.359 8.129 1.00 19.52 N HETATM 326 C4 127 B 16 0.015 4.693 9.211 1.00 19.76 C HETATM 327 O4 127 B 16 0.498 3.636 9.581 1.00 19.63 O HETATM 328 C5 127 B 16 -1.108 5.355 9.846 1.00 20.01 C HETATM 329 C5M 127 B 16 -1.789 4.685 11.013 1.00 20.24 C HETATM 330 C6 127 B 16 -1.489 6.548 9.356 1.00 19.52 C HETATM 331 CA' 127 B 16 -1.186 9.610 4.860 1.00 24.59 C HETATM 332 CB' 127 B 16 -1.162 10.911 4.203 1.00 25.18 C HETATM 333 OC' 127 B 16 -2.173 11.051 3.189 1.00 27.88 O HETATM 334 ND' 127 B 16 -2.231 9.845 2.289 1.00 27.42 N ATOM 335 P DA B 17 -5.601 7.286 5.962 1.00 23.37 P ATOM 336 OP1 DA B 17 -6.814 7.897 5.314 1.00 23.13 O ATOM 337 OP2 DA B 17 -5.815 6.229 6.956 1.00 23.43 O ATOM 338 O5' DA B 17 -4.697 6.693 4.784 1.00 23.12 O ATOM 339 C5' DA B 17 -4.391 7.495 3.617 1.00 23.13 C ATOM 340 C4' DA B 17 -3.404 6.772 2.731 1.00 23.44 C ATOM 341 O4' DA B 17 -2.115 6.706 3.380 1.00 22.50 O ATOM 342 C3' DA B 17 -3.737 5.322 2.397 1.00 24.39 C ATOM 343 O3' DA B 17 -4.686 5.220 1.331 1.00 25.42 O ATOM 344 C2' DA B 17 -2.374 4.779 2.006 1.00 23.41 C ATOM 345 C1' DA B 17 -1.440 5.514 2.964 1.00 22.77 C ATOM 346 N9 DA B 17 -1.194 4.688 4.146 1.00 21.06 N ATOM 347 C8 DA B 17 -1.837 4.682 5.365 1.00 20.78 C ATOM 348 N7 DA B 17 -1.385 3.772 6.192 1.00 19.60 N ATOM 349 C5 DA B 17 -0.385 3.138 5.480 1.00 19.63 C ATOM 350 C6 DA B 17 0.457 2.066 5.792 1.00 19.33 C ATOM 351 N6 DA B 17 0.432 1.410 6.953 1.00 18.24 N ATOM 352 N1 DA B 17 1.335 1.676 4.848 1.00 19.08 N ATOM 353 C2 DA B 17 1.376 2.328 3.684 1.00 19.76 C ATOM 354 N3 DA B 17 0.635 3.342 3.271 1.00 20.11 N ATOM 355 C4 DA B 17 -0.246 3.700 4.221 1.00 20.26 C ATOM 356 P DC B 18 -5.719 4.004 1.305 1.00 27.55 P ATOM 357 OP1 DC B 18 -6.615 4.253 0.161 1.00 28.37 O ATOM 358 OP2 DC B 18 -6.296 3.725 2.634 1.00 26.55 O ATOM 359 O5' DC B 18 -4.805 2.746 0.926 1.00 26.67 O ATOM 360 C5' DC B 18 -4.054 2.724 -0.281 1.00 26.19 C ATOM 361 C4' DC B 18 -3.070 1.577 -0.246 1.00 25.83 C ATOM 362 O4' DC B 18 -2.096 1.832 0.783 1.00 25.32 O ATOM 363 C3' DC B 18 -3.621 0.195 0.094 1.00 25.49 C ATOM 364 O3' DC B 18 -4.187 -0.493 -1.027 1.00 26.56 O ATOM 365 C2' DC B 18 -2.377 -0.531 0.580 1.00 25.14 C ATOM 366 C1' DC B 18 -1.601 0.579 1.288 1.00 23.78 C ATOM 367 N1 DC B 18 -1.862 0.505 2.731 1.00 23.23 N ATOM 368 C2 DC B 18 -1.081 -0.364 3.480 1.00 22.37 C ATOM 369 O2 DC B 18 -0.204 -1.012 2.892 1.00 21.74 O ATOM 370 N3 DC B 18 -1.313 -0.507 4.814 1.00 21.64 N ATOM 371 C4 DC B 18 -2.298 0.169 5.393 1.00 22.07 C ATOM 372 N4 DC B 18 -2.509 -0.042 6.696 1.00 22.03 N ATOM 373 C5 DC B 18 -3.117 1.083 4.654 1.00 22.60 C ATOM 374 C6 DC B 18 -2.865 1.223 3.334 1.00 23.00 C ATOM 375 P DG B 19 -5.128 -1.768 -0.770 1.00 27.73 P ATOM 376 OP1 DG B 19 -5.687 -2.205 -2.077 1.00 29.20 O ATOM 377 OP2 DG B 19 -5.990 -1.693 0.417 1.00 28.37 O ATOM 378 O5' DG B 19 -4.158 -2.935 -0.274 1.00 26.77 O ATOM 379 C5' DG B 19 -3.273 -3.560 -1.150 1.00 24.07 C ATOM 380 C4' DG B 19 -2.342 -4.463 -0.371 1.00 23.12 C ATOM 381 O4' DG B 19 -1.769 -3.747 0.754 1.00 22.33 O ATOM 382 C3' DG B 19 -2.944 -5.724 0.248 1.00 22.72 C ATOM 383 O3' DG B 19 -3.010 -6.791 -0.712 1.00 23.66 O ATOM 384 C2' DG B 19 -1.925 -6.060 1.327 1.00 21.11 C ATOM 385 C1' DG B 19 -1.478 -4.675 1.793 1.00 20.88 C ATOM 386 N9 DG B 19 -2.157 -4.248 3.010 1.00 19.97 N ATOM 387 C8 DG B 19 -3.051 -3.229 3.190 1.00 20.13 C ATOM 388 N7 DG B 19 -3.416 -3.082 4.446 1.00 19.99 N ATOM 389 C5 DG B 19 -2.720 -4.076 5.125 1.00 19.31 C ATOM 390 C6 DG B 19 -2.678 -4.414 6.516 1.00 18.90 C ATOM 391 O6 DG B 19 -3.257 -3.858 7.497 1.00 19.22 O ATOM 392 N1 DG B 19 -1.855 -5.510 6.747 1.00 19.16 N ATOM 393 C2 DG B 19 -1.166 -6.195 5.773 1.00 18.89 C ATOM 394 N2 DG B 19 -0.452 -7.249 6.182 1.00 18.70 N ATOM 395 N3 DG B 19 -1.186 -5.882 4.495 1.00 18.48 N ATOM 396 C4 DG B 19 -1.969 -4.824 4.242 1.00 19.52 C ATOM 397 P DC B 20 -4.085 -7.983 -0.531 1.00 22.29 P ATOM 398 OP1 DC B 20 -3.977 -8.775 -1.797 1.00 23.34 O ATOM 399 OP2 DC B 20 -5.379 -7.422 -0.113 1.00 23.53 O ATOM 400 O5' DC B 20 -3.555 -8.894 0.648 1.00 21.42 O ATOM 401 C5' DC B 20 -2.320 -9.610 0.551 1.00 18.98 C ATOM 402 C4' DC B 20 -2.069 -10.358 1.837 1.00 20.05 C ATOM 403 O4' DC B 20 -1.893 -9.406 2.902 1.00 19.04 O ATOM 404 C3' DC B 20 -3.209 -11.255 2.293 1.00 19.87 C ATOM 405 O3' DC B 20 -3.083 -12.575 1.725 1.00 22.85 O ATOM 406 C2' DC B 20 -3.016 -11.283 3.795 1.00 19.92 C ATOM 407 C1' DC B 20 -2.405 -9.929 4.111 1.00 19.74 C ATOM 408 N1 DC B 20 -3.320 -8.926 4.677 1.00 19.14 N ATOM 409 C2 DC B 20 -3.491 -8.919 6.063 1.00 19.22 C ATOM 410 O2 DC B 20 -2.936 -9.803 6.723 1.00 19.53 O ATOM 411 N3 DC B 20 -4.248 -7.943 6.637 1.00 19.10 N ATOM 412 C4 DC B 20 -4.817 -7.006 5.877 1.00 18.88 C ATOM 413 N4 DC B 20 -5.487 -6.018 6.500 1.00 19.59 N ATOM 414 C5 DC B 20 -4.713 -7.020 4.451 1.00 19.33 C ATOM 415 C6 DC B 20 -3.954 -7.999 3.895 1.00 19.30 C TER 416 DC B 20 HETATM 417 BA BA A 22 -0.758 -0.982 10.832 1.00 35.26 BA HETATM 418 O HOH A 102 11.960 11.658 27.237 1.00 19.20 O HETATM 419 O HOH A 104 4.811 5.149 2.535 1.00 22.08 O HETATM 420 O HOH A 105 0.654 -10.639 8.295 1.00 21.24 O HETATM 421 O HOH A 106 9.244 5.545 10.918 1.00 24.21 O HETATM 422 O HOH A 108 8.069 -2.045 7.072 1.00 23.36 O HETATM 423 O HOH A 109 2.516 11.083 28.228 1.00 30.41 O HETATM 424 O HOH A 112 3.499 9.925 8.335 1.00 25.44 O HETATM 425 O HOH A 114 5.960 0.280 9.836 1.00 28.20 O HETATM 426 O HOH A 116 1.248 -4.477 14.281 1.00 25.43 O HETATM 427 O HOH A 117 10.804 5.436 8.692 1.00 31.70 O HETATM 428 O HOH A 118 2.144 -0.376 10.017 1.00 30.72 O HETATM 429 O HOH A 119 11.809 11.046 19.786 1.00 32.04 O HETATM 430 O HOH A 120 6.581 1.363 11.963 1.00 26.84 O HETATM 431 O HOH A 122 5.925 7.403 23.660 1.00 26.91 O HETATM 432 O HOH A 123 5.599 9.386 25.932 1.00 29.27 O HETATM 433 O HOH A 124 11.012 8.513 16.602 1.00 29.07 O HETATM 434 O HOH A 125 6.781 -4.261 10.814 1.00 30.67 O HETATM 435 O HOH A 130 6.618 -10.889 15.176 1.00 35.35 O HETATM 436 O HOH A 131 12.974 7.903 18.293 1.00 28.45 O HETATM 437 O HOH A 132 2.906 -5.616 12.388 1.00 26.38 O HETATM 438 O HOH A 133 11.734 10.243 14.716 1.00 34.03 O HETATM 439 O HOH A 139 6.967 -11.200 10.901 1.00 31.30 O HETATM 440 O HOH A 140 4.755 -7.009 15.831 1.00 35.08 O HETATM 441 O HOH A 142 12.814 -0.278 2.368 1.00 29.22 O HETATM 442 O HOH A 143 12.647 14.253 21.171 0.50 27.89 O HETATM 443 O HOH A 145 0.401 -2.938 11.736 1.00 25.20 O HETATM 444 O HOH A 150 11.175 5.417 16.322 1.00 40.36 O HETATM 445 O HOH A 152 9.446 10.128 29.565 1.00 29.32 O HETATM 446 O HOH A 154 -1.606 -4.060 15.269 1.00 43.41 O HETATM 447 O HOH A 159 -0.283 -8.474 19.931 1.00 38.06 O HETATM 448 O HOH A 160 5.294 -4.003 11.315 1.00 39.12 O HETATM 449 O HOH A 164 10.502 17.026 20.667 0.50 36.24 O HETATM 450 O HOH A 168 10.670 6.056 13.243 1.00 40.72 O HETATM 451 O HOH A 169 14.055 7.603 10.991 0.50 32.09 O HETATM 452 O HOH A 170 8.096 14.179 5.265 0.50 32.05 O HETATM 453 O HOH A 171 -3.187 -1.242 9.823 1.00 31.17 O HETATM 454 O HOH A 172 3.720 -8.334 17.629 1.00 37.01 O HETATM 455 O HOH A 173 13.792 9.277 4.501 0.50 30.63 O HETATM 456 O HOH A 174 6.368 -3.176 14.317 0.50 32.89 O HETATM 457 O HOH A 175 8.158 13.878 26.054 1.00 36.36 O HETATM 458 O HOH A 176 14.071 3.689 2.739 1.00 39.56 O HETATM 459 O HOH A 177 9.419 15.878 22.970 1.00 34.37 O HETATM 460 O HOH A 178 -0.930 -1.567 15.409 0.50 29.62 O HETATM 461 O HOH A 180 -2.788 -2.721 13.151 1.00 37.35 O HETATM 462 O HOH A 181 12.905 4.415 10.465 0.50 32.14 O HETATM 463 O HOH A 182 11.300 -5.549 5.542 1.00 37.90 O HETATM 464 O HOH A 183 12.102 -1.451 6.741 0.50 28.51 O HETATM 465 O HOH A 186 7.320 11.023 28.990 0.50 27.82 O HETATM 466 O HOH A 188 4.268 -0.875 12.191 0.50 30.06 O HETATM 467 O HOH A 189 8.428 3.331 12.447 1.00 33.47 O HETATM 468 O HOH A 190 8.934 -0.295 8.719 0.50 28.20 O HETATM 469 O HOH A 196 13.741 6.606 5.896 0.50 33.03 O HETATM 470 O HOH A 198 13.172 0.074 9.170 0.50 34.87 O HETATM 471 O HOH A 201 6.306 9.223 27.846 0.50 35.36 O HETATM 472 O HOH A 203 13.317 14.659 19.505 0.50 33.29 O HETATM 473 O HOH A 211 3.460 8.350 27.328 0.50 32.64 O HETATM 474 O HOH B 101 1.237 10.312 15.770 1.00 17.92 O HETATM 475 O HOH B 103 5.024 1.270 14.275 1.00 23.97 O HETATM 476 O HOH B 107 -5.722 -1.685 5.435 1.00 25.64 O HETATM 477 O HOH B 110 -5.017 4.696 9.181 1.00 28.89 O HETATM 478 O HOH B 111 0.082 2.351 14.061 1.00 25.07 O HETATM 479 O HOH B 113 -3.339 2.886 8.294 1.00 25.08 O HETATM 480 O HOH B 115 2.155 5.068 1.517 1.00 26.33 O HETATM 481 O HOH B 121 5.769 -1.970 17.958 1.00 30.47 O HETATM 482 O HOH B 126 6.314 0.418 16.694 1.00 27.46 O HETATM 483 O HOH B 127 1.196 -1.129 17.931 1.00 40.11 O HETATM 484 O HOH B 128 -1.010 2.080 16.378 1.00 32.63 O HETATM 485 O HOH B 129 -4.536 11.346 5.507 1.00 31.24 O HETATM 486 O HOH B 134 1.587 10.169 10.213 1.00 30.23 O HETATM 487 O HOH B 135 8.823 3.063 15.088 1.00 26.40 O HETATM 488 O HOH B 136 -8.609 6.141 18.441 1.00 39.16 O HETATM 489 O HOH B 137 1.879 7.673 3.922 1.00 36.56 O HETATM 490 O HOH B 138 -9.043 3.644 15.556 1.00 32.20 O HETATM 491 O HOH B 141 4.364 7.671 3.181 1.00 35.26 O HETATM 492 O HOH B 144 -0.935 1.359 9.742 1.00 27.89 O HETATM 493 O HOH B 146 0.412 8.733 1.797 1.00 35.07 O HETATM 494 O HOH B 147 -5.859 3.444 5.621 1.00 42.42 O HETATM 495 O HOH B 148 -7.566 -4.438 4.791 0.50 29.08 O HETATM 496 O HOH B 149 -7.333 -7.301 -2.386 1.00 29.76 O HETATM 497 O HOH B 151 -6.351 -5.005 2.071 1.00 34.97 O HETATM 498 O HOH B 153 -4.409 1.399 19.282 1.00 33.14 O HETATM 499 O HOH B 155 -2.336 1.240 23.283 1.00 35.63 O HETATM 500 O HOH B 156 5.377 -6.077 23.821 1.00 35.94 O HETATM 501 O HOH B 157 2.513 -4.885 23.417 1.00 37.69 O HETATM 502 O HOH B 158 -3.507 -12.608 -0.928 1.00 36.08 O HETATM 503 O HOH B 161 -1.255 -5.280 22.982 0.50 30.39 O HETATM 504 O HOH B 162 -2.566 2.803 23.669 0.50 24.55 O HETATM 505 O HOH B 163 -0.835 -13.399 1.912 0.50 25.60 O HETATM 506 O HOH B 165 -8.517 9.696 7.415 0.50 34.05 O HETATM 507 O HOH B 166 -5.795 -10.499 -2.704 0.50 25.35 O HETATM 508 O HOH B 167 3.277 6.681 21.858 1.00 32.67 O HETATM 509 O HOH B 179 -7.369 -4.683 -2.036 0.50 27.44 O HETATM 510 O HOH B 184 -7.157 0.283 3.471 0.50 35.05 O HETATM 511 O HOH B 185 -3.610 10.873 1.408 0.50 40.48 O HETATM 512 O HOH B 187 -7.144 8.149 16.004 0.50 35.21 O HETATM 513 O HOH B 191 -1.333 -2.415 22.025 0.50 37.64 O HETATM 514 O HOH B 192 0.840 -4.555 18.975 0.50 40.80 O HETATM 515 O HOH B 193 3.372 -4.759 18.404 0.50 30.51 O HETATM 516 O HOH B 194 -7.116 5.388 14.708 0.50 37.55 O HETATM 517 O HOH B 195 -1.033 -3.483 20.008 0.50 41.13 O HETATM 518 O HOH B 197 0.633 -2.510 24.188 0.50 24.21 O HETATM 519 O HOH B 199 -8.408 5.741 3.411 0.50 42.86 O HETATM 520 O HOH B 200 -8.343 8.004 9.636 0.50 37.43 O HETATM 521 O HOH B 202 -9.830 5.723 16.510 0.50 38.35 O HETATM 522 O HOH B 204 -4.433 -0.314 23.665 0.50 29.24 O HETATM 523 O HOH B 205 3.289 -0.612 13.501 0.50 27.66 O HETATM 524 O HOH B 206 3.571 -2.808 15.410 0.50 36.27 O HETATM 525 O HOH B 207 2.001 -1.755 15.508 0.50 33.98 O HETATM 526 O HOH B 208 -5.866 10.914 14.469 0.50 32.90 O HETATM 527 O HOH B 209 -3.238 -2.583 22.440 0.50 34.82 O HETATM 528 O HOH B 210 4.559 -5.659 19.533 0.50 40.60 O HETATM 529 O HOH B 212 13.185 3.805 16.942 0.50 30.37 O HETATM 530 O HOH B 213 -2.005 0.987 12.342 0.50 21.99 O ENDMDL MASTER 0 0 0 0 0 0 2 6 528 2 0 2 END