HEADER RNA 08-APR-04 XXXX TITLE CRYSTAL STRUCTURE OF 2-AMINOPURINE LABELLED BACTERIAL TITLE 2 DECODING SITE RNA COMPND 5'-R(*GP*GP*UP*GP*GP*UP*GP*(MTU) COMPND 2 P*AP*GP*UP*CP*GP*CP*UP*GP*G)-3' KEYWDS CRYSTAL STRUCTURE, 2-AMINOPURINE, BACTERIAL DECODING SITE KEYWDS 2 RNA, FLUORESCENCE EMISSION SPECTRA, 9-BETA-D-RIBOFURANOSYL- KEYWDS 3 9H-PURIN-2-AMINE EXPDTA X-RAY DIFFRACTION AUTHOR S.SHANDRICK, Q.ZHAO, Q.HAN, B.K.AYIDA, M.TAKAHASHI, AUTHOR 2 G.C.WINTERS, K.B.SIMONSEN, D.VOURLOUMIS, T.HERMANN JRNL AUTH S.SHANDRICK, Q.ZHAO, Q.HAN, B.K.AYIDA, M.TAKAHASHI, JRNL AUTH 2 G.C.WINTERS, K.B.SIMONSEN, D.VOURLOUMIS, T.HERMANN JRNL TITL MONITORING MOLECULAR RECOGNITION OF THE RIBOSOMAL JRNL TITL 2 DECODING SITE. JRNL REF ANGEW.CHEM.INT.ED.ENGL. V. 43 3177 2004 JRNL REFN GE ISSN 1433-7851 JRNL PMID 15199571 JRNL DOI 10.1002/ANIE.200454217 SEQRES 1 A 17 G G U G G U G MTU A G U C G SEQRES 2 A 17 C U G G SEQRES 1 B 16 C A G C G U C A C A C C A SEQRES 2 B 16 C C C SEQRES 1 C 17 G G U G G U G MTU A G U C G SEQRES 2 C 17 C U G G SEQRES 1 D 16 C A G C G U C A C A C C A SEQRES 2 D 16 C C C HETNAM MTU 9-BETA-D-RIBOFURANOSYL-9H-PURIN-2-AMINE FORMUL 1 MTU 2(C10 H14 N5 O7 P) FORMUL 5 HOH *215(H2 O) LINK O3' G A 7 P MTU A 8 1555 1555 1.61 LINK O3' MTU A 8 P A A 9 1555 1555 1.60 LINK O3' G C 7 P MTU C 8 1555 1555 1.60 LINK O3' MTU C 8 P A C 9 1555 1555 1.60 CRYST1 31.640 87.320 32.790 90.00 93.27 90.00 P 1 21 1 4 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 0.031606 0.000000 0.001806 0.00000 SCALE2 0.000000 0.011452 0.000000 0.00000 SCALE3 0.000000 0.000000 0.030547 0.00000 MODEL 1 ATOM 1 O5' G C 1 8.000 -13.067 11.026 1.00 32.47 O ATOM 2 C5' G C 1 6.725 -13.307 10.390 1.00 31.25 C ATOM 3 C4' G C 1 5.716 -14.006 11.277 1.00 28.65 C ATOM 4 O4' G C 1 6.182 -15.349 11.558 1.00 27.43 O ATOM 5 C3' G C 1 5.518 -13.376 12.649 1.00 28.75 C ATOM 6 O3' G C 1 4.574 -12.312 12.630 1.00 27.80 O ATOM 7 C2' G C 1 5.046 -14.554 13.487 1.00 27.63 C ATOM 8 O2' G C 1 3.674 -14.846 13.357 1.00 27.80 O ATOM 9 C1' G C 1 5.897 -15.684 12.908 1.00 25.86 C ATOM 10 N9 G C 1 7.164 -15.803 13.619 1.00 22.39 N ATOM 11 C8 G C 1 8.425 -15.603 13.115 1.00 20.79 C ATOM 12 N7 G C 1 9.366 -15.782 14.003 1.00 20.02 N ATOM 13 C5 G C 1 8.682 -16.122 15.164 1.00 19.19 C ATOM 14 C6 G C 1 9.168 -16.441 16.456 1.00 18.48 C ATOM 15 O6 G C 1 10.344 -16.506 16.840 1.00 15.71 O ATOM 16 N1 G C 1 8.126 -16.710 17.346 1.00 16.89 N ATOM 17 C2 G C 1 6.788 -16.685 17.025 1.00 17.90 C ATOM 18 N2 G C 1 5.925 -16.959 18.018 1.00 14.94 N ATOM 19 N3 G C 1 6.326 -16.407 15.817 1.00 18.76 N ATOM 20 C4 G C 1 7.322 -16.134 14.945 1.00 20.86 C ATOM 21 P G C 2 4.867 -10.986 13.485 1.00 27.36 P ATOM 22 OP1 G C 2 3.742 -10.052 13.207 1.00 27.28 O ATOM 23 OP2 G C 2 6.266 -10.549 13.242 1.00 27.50 O ATOM 24 O5' G C 2 4.773 -11.476 14.999 1.00 24.97 O ATOM 25 C5' G C 2 3.519 -11.841 15.573 1.00 21.17 C ATOM 26 C4' G C 2 3.699 -12.275 17.015 1.00 19.97 C ATOM 27 O4' G C 2 4.554 -13.455 17.079 1.00 18.32 O ATOM 28 C3' G C 2 4.412 -11.305 17.938 1.00 18.41 C ATOM 29 O3' G C 2 3.570 -10.247 18.378 1.00 19.07 O ATOM 30 C2' G C 2 4.811 -12.228 19.084 1.00 18.18 C ATOM 31 O2' G C 2 3.724 -12.568 19.911 1.00 14.37 O ATOM 32 C1' G C 2 5.249 -13.475 18.316 1.00 15.79 C ATOM 33 N9 G C 2 6.684 -13.471 18.060 1.00 13.52 N ATOM 34 C8 G C 2 7.330 -13.254 16.867 1.00 14.12 C ATOM 35 N7 G C 2 8.631 -13.297 16.974 1.00 13.52 N ATOM 36 C5 G C 2 8.856 -13.562 18.319 1.00 13.14 C ATOM 37 C6 G C 2 10.083 -13.710 19.049 1.00 13.32 C ATOM 38 O6 G C 2 11.245 -13.612 18.641 1.00 11.70 O ATOM 39 N1 G C 2 9.846 -13.987 20.393 1.00 13.64 N ATOM 40 C2 G C 2 8.597 -14.094 20.970 1.00 14.22 C ATOM 41 N2 G C 2 8.569 -14.388 22.273 1.00 13.30 N ATOM 42 N3 G C 2 7.457 -13.933 20.310 1.00 12.90 N ATOM 43 C4 G C 2 7.662 -13.677 18.999 1.00 12.62 C ATOM 44 P U C 3 4.230 -8.869 18.899 1.00 20.21 P ATOM 45 OP1 U C 3 3.142 -7.867 18.990 1.00 16.99 O ATOM 46 OP2 U C 3 5.440 -8.577 18.075 1.00 18.27 O ATOM 47 O5' U C 3 4.743 -9.214 20.370 1.00 18.61 O ATOM 48 C5' U C 3 3.818 -9.450 21.423 1.00 17.17 C ATOM 49 C4' U C 3 4.552 -9.718 22.720 1.00 17.38 C ATOM 50 O4' U C 3 5.361 -10.928 22.582 1.00 17.55 O ATOM 51 C3' U C 3 5.577 -8.679 23.149 1.00 15.66 C ATOM 52 O3' U C 3 5.000 -7.514 23.725 1.00 13.38 O ATOM 53 C2' U C 3 6.420 -9.484 24.129 1.00 16.49 C ATOM 54 O2' U C 3 5.762 -9.699 25.363 1.00 12.33 O ATOM 55 C1' U C 3 6.542 -10.810 23.373 1.00 16.38 C ATOM 56 N1 U C 3 7.706 -10.795 22.473 1.00 16.87 N ATOM 57 C2 U C 3 8.944 -11.118 23.013 1.00 16.01 C ATOM 58 O2 U C 3 9.091 -11.439 24.173 1.00 15.86 O ATOM 59 N3 U C 3 9.999 -11.052 22.136 1.00 15.68 N ATOM 60 C4 U C 3 9.947 -10.711 20.801 1.00 17.36 C ATOM 61 O4 U C 3 10.977 -10.722 20.141 1.00 19.49 O ATOM 62 C5 U C 3 8.636 -10.402 20.307 1.00 15.89 C ATOM 63 C6 U C 3 7.585 -10.454 21.142 1.00 18.54 C ATOM 64 P G C 4 5.697 -6.085 23.464 1.00 12.80 P ATOM 65 OP1 G C 4 4.829 -5.029 24.025 1.00 12.80 O ATOM 66 OP2 G C 4 6.084 -6.026 22.025 1.00 12.24 O ATOM 67 O5' G C 4 7.016 -6.170 24.361 1.00 14.41 O ATOM 68 C5' G C 4 6.906 -6.260 25.780 1.00 15.41 C ATOM 69 C4' G C 4 8.237 -6.605 26.406 1.00 14.86 C ATOM 70 O4' G C 4 8.715 -7.873 25.882 1.00 15.94 O ATOM 71 C3' G C 4 9.389 -5.664 26.111 1.00 12.62 C ATOM 72 O3' G C 4 9.348 -4.490 26.900 1.00 13.11 O ATOM 73 C2' G C 4 10.571 -6.537 26.479 1.00 13.82 C ATOM 74 O2' G C 4 10.721 -6.653 27.876 1.00 14.24 O ATOM 75 C1' G C 4 10.140 -7.865 25.860 1.00 13.67 C ATOM 76 N9 G C 4 10.581 -7.919 24.471 1.00 13.62 N ATOM 77 C8 G C 4 9.830 -7.698 23.339 1.00 15.00 C ATOM 78 N7 G C 4 10.523 -7.800 22.234 1.00 15.48 N ATOM 79 C5 G C 4 11.810 -8.113 22.666 1.00 15.12 C ATOM 80 C6 G C 4 13.003 -8.343 21.923 1.00 14.43 C ATOM 81 O6 G C 4 13.164 -8.322 20.696 1.00 11.36 O ATOM 82 N1 G C 4 14.082 -8.616 22.761 1.00 15.79 N ATOM 83 C2 G C 4 14.024 -8.651 24.137 1.00 16.75 C ATOM 84 N2 G C 4 15.178 -8.923 24.776 1.00 17.31 N ATOM 85 N3 G C 4 12.918 -8.435 24.838 1.00 13.69 N ATOM 86 C4 G C 4 11.860 -8.182 24.044 1.00 13.84 C ATOM 87 P G C 5 9.924 -3.117 26.298 1.00 13.00 P ATOM 88 OP1 G C 5 9.627 -2.026 27.246 1.00 15.02 O ATOM 89 OP2 G C 5 9.456 -3.009 24.891 1.00 18.45 O ATOM 90 O5' G C 5 11.505 -3.351 26.272 1.00 15.67 O ATOM 91 C5' G C 5 12.215 -3.638 27.476 1.00 15.54 C ATOM 92 C4' G C 5 13.662 -3.988 27.177 1.00 17.81 C ATOM 93 O4' G C 5 13.716 -5.204 26.385 1.00 17.26 O ATOM 94 C3' G C 5 14.465 -2.989 26.352 1.00 16.76 C ATOM 95 O3' G C 5 14.951 -1.925 27.155 1.00 17.50 O ATOM 96 C2' G C 5 15.602 -3.871 25.856 1.00 18.85 C ATOM 97 O2' G C 5 16.567 -4.155 26.848 1.00 19.13 O ATOM 98 C1' G C 5 14.851 -5.162 25.532 1.00 18.39 C ATOM 99 N9 G C 5 14.421 -5.173 24.136 1.00 18.90 N ATOM 100 C8 G C 5 13.170 -4.909 23.622 1.00 17.76 C ATOM 101 N7 G C 5 13.133 -4.963 22.316 1.00 16.50 N ATOM 102 C5 G C 5 14.433 -5.291 21.949 1.00 18.18 C ATOM 103 C6 G C 5 15.021 -5.483 20.654 1.00 18.98 C ATOM 104 O6 G C 5 14.484 -5.410 19.537 1.00 19.60 O ATOM 105 N1 G C 5 16.377 -5.790 20.749 1.00 15.10 N ATOM 106 C2 G C 5 17.082 -5.904 21.920 1.00 17.06 C ATOM 107 N2 G C 5 18.389 -6.209 21.808 1.00 14.81 N ATOM 108 N3 G C 5 16.550 -5.733 23.123 1.00 18.56 N ATOM 109 C4 G C 5 15.235 -5.430 23.061 1.00 18.33 C ATOM 110 P U C 6 15.277 -0.497 26.489 1.00 21.47 P ATOM 111 OP1 U C 6 15.536 0.409 27.630 1.00 22.26 O ATOM 112 OP2 U C 6 14.260 -0.129 25.481 1.00 21.11 O ATOM 113 O5' U C 6 16.637 -0.738 25.693 1.00 21.56 O ATOM 114 C5' U C 6 17.842 -1.047 26.379 1.00 22.80 C ATOM 115 C4' U C 6 18.932 -1.401 25.392 1.00 23.54 C ATOM 116 O4' U C 6 18.533 -2.575 24.640 1.00 25.85 O ATOM 117 C3' U C 6 19.237 -0.377 24.313 1.00 21.83 C ATOM 118 O3' U C 6 20.114 0.628 24.796 1.00 24.47 O ATOM 119 C2' U C 6 19.921 -1.241 23.266 1.00 23.38 C ATOM 120 O2' U C 6 21.244 -1.591 23.614 1.00 22.73 O ATOM 121 C1' U C 6 19.064 -2.500 23.327 1.00 25.27 C ATOM 122 N1 U C 6 17.956 -2.437 22.367 1.00 27.16 N ATOM 123 C2 U C 6 18.258 -2.734 21.066 1.00 28.43 C ATOM 124 O2 U C 6 19.378 -3.050 20.716 1.00 31.55 O ATOM 125 N3 U C 6 17.210 -2.653 20.188 1.00 29.93 N ATOM 126 C4 U C 6 15.907 -2.319 20.484 1.00 30.82 C ATOM 127 O4 U C 6 15.065 -2.313 19.584 1.00 30.56 O ATOM 128 C5 U C 6 15.669 -2.029 21.868 1.00 29.63 C ATOM 129 C6 U C 6 16.680 -2.095 22.740 1.00 26.94 C ATOM 130 P G C 7 20.000 2.127 24.230 1.00 24.39 P ATOM 131 OP1 G C 7 20.581 3.007 25.267 1.00 23.79 O ATOM 132 OP2 G C 7 18.606 2.351 23.782 1.00 24.45 O ATOM 133 O5' G C 7 20.912 2.151 22.916 1.00 24.77 O ATOM 134 C5' G C 7 22.123 1.407 22.825 1.00 28.98 C ATOM 135 C4' G C 7 22.387 1.015 21.382 1.00 34.19 C ATOM 136 O4' G C 7 21.318 0.154 20.932 1.00 34.81 O ATOM 137 C3' G C 7 22.425 2.153 20.366 1.00 37.48 C ATOM 138 O3' G C 7 23.766 2.598 20.187 1.00 43.06 O ATOM 139 C2' G C 7 22.000 1.487 19.061 1.00 37.31 C ATOM 140 O2' G C 7 23.106 0.977 18.341 1.00 40.00 O ATOM 141 C1' G C 7 21.135 0.322 19.543 1.00 33.77 C ATOM 142 N9 G C 7 19.707 0.399 19.248 1.00 31.03 N ATOM 143 C8 G C 7 18.677 0.690 20.114 1.00 29.21 C ATOM 144 N7 G C 7 17.500 0.597 19.556 1.00 26.92 N ATOM 145 C5 G C 7 17.771 0.236 18.242 1.00 27.85 C ATOM 146 C6 G C 7 16.889 -0.046 17.156 1.00 25.72 C ATOM 147 O6 G C 7 15.655 -0.077 17.154 1.00 23.12 O ATOM 148 N1 G C 7 17.591 -0.344 15.993 1.00 24.70 N ATOM 149 C2 G C 7 18.962 -0.406 15.890 1.00 26.55 C ATOM 150 N2 G C 7 19.453 -0.727 14.687 1.00 24.67 N ATOM 151 N3 G C 7 19.790 -0.176 16.897 1.00 26.57 N ATOM 152 C4 G C 7 19.131 0.138 18.032 1.00 28.45 C HETATM 153 P MTU C 8 24.154 4.114 20.529 1.00 49.04 P HETATM 154 OP1 MTU C 8 24.962 4.077 21.788 1.00 49.20 O HETATM 155 OP2 MTU C 8 22.905 4.935 20.474 1.00 48.12 O HETATM 156 O5' MTU C 8 25.119 4.564 19.345 1.00 45.02 O HETATM 157 C5' MTU C 8 24.629 4.760 18.026 1.00 40.95 C HETATM 158 C4' MTU C 8 24.388 6.234 17.760 1.00 38.79 C HETATM 159 O4' MTU C 8 25.476 7.046 18.275 1.00 38.13 O HETATM 160 C1' MTU C 8 25.688 8.155 17.419 1.00 35.16 C HETATM 161 N9 MTU C 8 27.091 8.142 17.012 1.00 34.06 N HETATM 162 C4 MTU C 8 27.675 8.885 16.013 1.00 32.98 C HETATM 163 N3 MTU C 8 27.076 9.753 15.178 1.00 33.68 N HETATM 164 C2 MTU C 8 27.965 10.304 14.347 1.00 31.68 C HETATM 165 N2 MTU C 8 27.360 11.150 13.580 1.00 30.00 N HETATM 166 N1 MTU C 8 29.281 10.100 14.262 1.00 32.19 N HETATM 167 C6 MTU C 8 29.853 9.217 15.113 1.00 33.11 C HETATM 168 C5 MTU C 8 29.019 8.566 16.044 1.00 33.72 C HETATM 169 N7 MTU C 8 29.274 7.622 17.030 1.00 34.37 N HETATM 170 C8 MTU C 8 28.100 7.401 17.567 1.00 32.54 C HETATM 171 C2' MTU C 8 24.692 8.059 16.258 1.00 36.22 C HETATM 172 O2' MTU C 8 23.587 8.917 16.460 1.00 34.48 O HETATM 173 C3' MTU C 8 24.327 6.581 16.285 1.00 36.08 C HETATM 174 O3' MTU C 8 23.030 6.332 15.781 1.00 34.36 O ATOM 175 P A C 9 22.841 5.276 14.597 1.00 32.09 P ATOM 176 OP1 A C 9 21.378 5.083 14.405 1.00 35.62 O ATOM 177 OP2 A C 9 23.699 4.101 14.866 1.00 33.29 O ATOM 178 O5' A C 9 23.422 6.049 13.331 1.00 32.10 O ATOM 179 C5' A C 9 22.903 7.322 12.954 1.00 28.02 C ATOM 180 C4' A C 9 23.875 8.037 12.046 1.00 25.79 C ATOM 181 O4' A C 9 25.041 8.458 12.798 1.00 24.53 O ATOM 182 C3' A C 9 24.433 7.202 10.907 1.00 24.12 C ATOM 183 O3' A C 9 23.537 7.251 9.806 1.00 24.33 O ATOM 184 C2' A C 9 25.739 7.923 10.586 1.00 21.93 C ATOM 185 O2' A C 9 25.564 9.059 9.767 1.00 15.47 O ATOM 186 C1' A C 9 26.189 8.385 11.973 1.00 22.57 C ATOM 187 N9 A C 9 27.147 7.488 12.612 1.00 24.57 N ATOM 188 C8 A C 9 26.881 6.452 13.475 1.00 25.20 C ATOM 189 N7 A C 9 27.955 5.843 13.915 1.00 24.55 N ATOM 190 C5 A C 9 28.997 6.518 13.297 1.00 24.74 C ATOM 191 C6 A C 9 30.391 6.359 13.357 1.00 24.40 C ATOM 192 N6 A C 9 30.996 5.426 14.097 1.00 22.84 N ATOM 193 N1 A C 9 31.151 7.198 12.622 1.00 25.17 N ATOM 194 C2 A C 9 30.541 8.129 11.872 1.00 25.51 C ATOM 195 N3 A C 9 29.240 8.375 11.730 1.00 26.29 N ATOM 196 C4 A C 9 28.514 7.527 12.483 1.00 24.69 C ATOM 197 P G C 10 22.947 5.890 9.189 1.00 23.55 P ATOM 198 OP1 G C 10 21.910 5.365 10.119 1.00 25.61 O ATOM 199 OP2 G C 10 24.066 5.006 8.770 1.00 25.98 O ATOM 200 O5' G C 10 22.196 6.400 7.879 1.00 21.98 O ATOM 201 C5' G C 10 21.076 7.274 7.968 1.00 17.23 C ATOM 202 C4' G C 10 19.954 6.758 7.100 1.00 17.29 C ATOM 203 O4' G C 10 19.635 5.399 7.509 1.00 16.96 O ATOM 204 C3' G C 10 18.636 7.514 7.203 1.00 17.42 C ATOM 205 O3' G C 10 18.608 8.607 6.297 1.00 13.96 O ATOM 206 C2' G C 10 17.645 6.428 6.817 1.00 17.52 C ATOM 207 O2' G C 10 17.712 6.160 5.430 1.00 18.87 O ATOM 208 C1' G C 10 18.229 5.233 7.575 1.00 16.19 C ATOM 209 N9 G C 10 17.853 5.213 8.989 1.00 16.15 N ATOM 210 C8 G C 10 18.700 5.333 10.066 1.00 14.09 C ATOM 211 N7 G C 10 18.077 5.298 11.212 1.00 16.52 N ATOM 212 C5 G C 10 16.736 5.139 10.878 1.00 15.88 C ATOM 213 C6 G C 10 15.579 5.024 11.712 1.00 18.03 C ATOM 214 O6 G C 10 15.516 5.042 12.949 1.00 17.48 O ATOM 215 N1 G C 10 14.415 4.863 10.958 1.00 15.22 N ATOM 216 C2 G C 10 14.375 4.805 9.587 1.00 16.89 C ATOM 217 N2 G C 10 13.169 4.588 9.033 1.00 15.86 N ATOM 218 N3 G C 10 15.441 4.930 8.806 1.00 14.18 N ATOM 219 C4 G C 10 16.577 5.084 9.512 1.00 16.09 C ATOM 220 P U C 11 18.077 10.041 6.791 1.00 18.15 P ATOM 221 OP1 U C 11 18.343 10.993 5.689 1.00 18.66 O ATOM 222 OP2 U C 11 18.588 10.349 8.144 1.00 19.92 O ATOM 223 O5' U C 11 16.496 9.823 6.951 1.00 19.41 O ATOM 224 C5' U C 11 15.716 9.264 5.896 1.00 16.79 C ATOM 225 C4' U C 11 14.313 8.936 6.385 1.00 18.85 C ATOM 226 O4' U C 11 14.341 7.847 7.347 1.00 19.73 O ATOM 227 C3' U C 11 13.601 10.056 7.117 1.00 18.01 C ATOM 228 O3' U C 11 13.007 10.925 6.180 1.00 19.54 O ATOM 229 C2' U C 11 12.563 9.297 7.937 1.00 19.20 C ATOM 230 O2' U C 11 11.434 8.878 7.192 1.00 14.09 O ATOM 231 C1' U C 11 13.359 8.064 8.352 1.00 16.16 C ATOM 232 N1 U C 11 14.043 8.218 9.642 1.00 15.40 N ATOM 233 C2 U C 11 13.302 8.023 10.812 1.00 18.01 C ATOM 234 O2 U C 11 12.091 7.783 10.818 1.00 17.68 O ATOM 235 N3 U C 11 14.024 8.131 11.976 1.00 13.24 N ATOM 236 C4 U C 11 15.378 8.420 12.097 1.00 17.51 C ATOM 237 O4 U C 11 15.895 8.472 13.215 1.00 13.33 O ATOM 238 C5 U C 11 16.057 8.630 10.853 1.00 16.73 C ATOM 239 C6 U C 11 15.384 8.528 9.698 1.00 17.32 C ATOM 240 P C C 12 13.123 12.502 6.384 1.00 21.06 P ATOM 241 OP1 C C 12 12.793 13.101 5.070 1.00 22.39 O ATOM 242 OP2 C C 12 14.417 12.813 7.035 1.00 23.40 O ATOM 243 O5' C C 12 11.948 12.846 7.404 1.00 23.01 O ATOM 244 C5' C C 12 10.595 12.816 6.958 1.00 26.38 C ATOM 245 C4' C C 12 9.659 12.652 8.123 1.00 27.27 C ATOM 246 O4' C C 12 10.015 11.448 8.858 1.00 27.02 O ATOM 247 C3' C C 12 9.734 13.736 9.179 1.00 29.62 C ATOM 248 O3' C C 12 8.967 14.866 8.816 1.00 34.33 O ATOM 249 C2' C C 12 9.119 13.034 10.376 1.00 30.13 C ATOM 250 O2' C C 12 7.710 12.961 10.288 1.00 31.88 O ATOM 251 C1' C C 12 9.720 11.636 10.234 1.00 27.41 C ATOM 252 N1 C C 12 10.956 11.506 11.020 1.00 24.15 N ATOM 253 C2 C C 12 10.844 11.113 12.354 1.00 23.01 C ATOM 254 O2 C C 12 9.720 10.850 12.806 1.00 20.36 O ATOM 255 N3 C C 12 11.958 11.018 13.116 1.00 22.29 N ATOM 256 C4 C C 12 13.153 11.281 12.584 1.00 22.11 C ATOM 257 N4 C C 12 14.222 11.168 13.380 1.00 21.16 N ATOM 258 C5 C C 12 13.302 11.669 11.218 1.00 21.68 C ATOM 259 C6 C C 12 12.183 11.772 10.478 1.00 24.09 C ATOM 260 P G C 13 9.243 16.275 9.537 1.00 38.01 P ATOM 261 OP1 G C 13 8.402 17.275 8.828 1.00 38.80 O ATOM 262 OP2 G C 13 10.712 16.480 9.633 1.00 38.16 O ATOM 263 O5' G C 13 8.659 16.083 11.007 1.00 37.63 O ATOM 264 C5' G C 13 7.254 16.022 11.221 1.00 35.72 C ATOM 265 C4' G C 13 6.948 15.725 12.669 1.00 34.59 C ATOM 266 O4' G C 13 7.557 14.458 13.040 1.00 33.03 O ATOM 267 C3' G C 13 7.497 16.684 13.711 1.00 34.26 C ATOM 268 O3' G C 13 6.702 17.854 13.835 1.00 35.81 O ATOM 269 C2' G C 13 7.415 15.829 14.969 1.00 32.78 C ATOM 270 O2' G C 13 6.100 15.739 15.477 1.00 30.09 O ATOM 271 C1' G C 13 7.868 14.471 14.427 1.00 31.30 C ATOM 272 N9 G C 13 9.309 14.291 14.578 1.00 29.00 N ATOM 273 C8 G C 13 10.272 14.398 13.607 1.00 27.05 C ATOM 274 N7 G C 13 11.480 14.198 14.062 1.00 27.13 N ATOM 275 C5 G C 13 11.301 13.938 15.414 1.00 25.97 C ATOM 276 C6 G C 13 12.250 13.653 16.437 1.00 25.87 C ATOM 277 O6 G C 13 13.479 13.571 16.349 1.00 23.25 O ATOM 278 N1 G C 13 11.632 13.465 17.671 1.00 25.15 N ATOM 279 C2 G C 13 10.278 13.550 17.895 1.00 25.56 C ATOM 280 N2 G C 13 9.863 13.362 19.163 1.00 24.23 N ATOM 281 N3 G C 13 9.390 13.808 16.951 1.00 27.03 N ATOM 282 C4 G C 13 9.967 13.991 15.746 1.00 27.33 C ATOM 283 P C C 14 7.372 19.220 14.359 1.00 38.26 P ATOM 284 OP1 C C 14 6.362 20.287 14.145 1.00 38.09 O ATOM 285 OP2 C C 14 8.724 19.352 13.748 1.00 37.26 O ATOM 286 O5' C C 14 7.554 19.008 15.933 1.00 36.31 O ATOM 287 C5' C C 14 6.424 18.816 16.784 1.00 36.08 C ATOM 288 C4' C C 14 6.861 18.362 18.165 1.00 35.52 C ATOM 289 O4' C C 14 7.611 17.118 18.063 1.00 35.71 O ATOM 290 C3' C C 14 7.813 19.279 18.913 1.00 36.54 C ATOM 291 O3' C C 14 7.119 20.329 19.566 1.00 37.54 O ATOM 292 C2' C C 14 8.425 18.326 19.927 1.00 35.99 C ATOM 293 O2' C C 14 7.540 18.044 20.988 1.00 36.08 O ATOM 294 C1' C C 14 8.603 17.071 19.079 1.00 33.84 C ATOM 295 N1 C C 14 9.927 17.026 18.440 1.00 31.68 N ATOM 296 C2 C C 14 11.044 16.733 19.229 1.00 31.26 C ATOM 297 O2 C C 14 10.886 16.548 20.443 1.00 32.85 O ATOM 298 N3 C C 14 12.267 16.666 18.650 1.00 29.11 N ATOM 299 C4 C C 14 12.395 16.892 17.342 1.00 29.03 C ATOM 300 N4 C C 14 13.617 16.807 16.807 1.00 26.79 N ATOM 301 C5 C C 14 11.275 17.212 16.519 1.00 29.19 C ATOM 302 C6 C C 14 10.071 17.266 17.103 1.00 30.39 C ATOM 303 P U C 15 7.786 21.782 19.642 1.00 38.67 P ATOM 304 OP1 U C 15 6.728 22.719 20.085 1.00 39.84 O ATOM 305 OP2 U C 15 8.522 22.041 18.377 1.00 39.80 O ATOM 306 O5' U C 15 8.882 21.651 20.785 1.00 38.48 O ATOM 307 C5' U C 15 8.516 21.286 22.101 1.00 36.37 C ATOM 308 C4' U C 15 9.746 20.977 22.905 1.00 35.65 C ATOM 309 O4' U C 15 10.388 19.789 22.372 1.00 34.10 O ATOM 310 C3' U C 15 10.859 22.006 22.836 1.00 35.24 C ATOM 311 O3' U C 15 10.608 23.122 23.675 1.00 36.86 O ATOM 312 C2' U C 15 12.037 21.188 23.339 1.00 35.69 C ATOM 313 O2' U C 15 12.005 21.008 24.741 1.00 36.09 O ATOM 314 C1' U C 15 11.780 19.847 22.649 1.00 33.69 C ATOM 315 N1 U C 15 12.524 19.746 21.388 1.00 31.83 N ATOM 316 C2 U C 15 13.853 19.362 21.463 1.00 31.49 C ATOM 317 O2 U C 15 14.415 19.116 22.522 1.00 29.88 O ATOM 318 N3 U C 15 14.503 19.288 20.256 1.00 29.32 N ATOM 319 C4 U C 15 13.977 19.559 19.013 1.00 30.20 C ATOM 320 O4 U C 15 14.689 19.432 18.015 1.00 30.90 O ATOM 321 C5 U C 15 12.602 19.957 19.021 1.00 28.76 C ATOM 322 C6 U C 15 11.938 20.031 20.179 1.00 30.70 C ATOM 323 P G C 16 11.243 24.556 23.303 1.00 38.07 P ATOM 324 OP1 G C 16 10.600 25.556 24.198 1.00 37.61 O ATOM 325 OP2 G C 16 11.175 24.741 21.827 1.00 37.03 O ATOM 326 O5' G C 16 12.776 24.412 23.717 1.00 35.81 O ATOM 327 C5' G C 16 13.141 24.101 25.054 1.00 32.23 C ATOM 328 C4' G C 16 14.571 23.620 25.111 1.00 32.05 C ATOM 329 O4' G C 16 14.711 22.402 24.330 1.00 31.03 O ATOM 330 C3' G C 16 15.620 24.541 24.513 1.00 32.13 C ATOM 331 O3' G C 16 15.969 25.581 25.416 1.00 31.05 O ATOM 332 C2' G C 16 16.773 23.569 24.289 1.00 32.44 C ATOM 333 O2' G C 16 17.428 23.231 25.490 1.00 33.08 O ATOM 334 C1' G C 16 16.023 22.335 23.783 1.00 32.62 C ATOM 335 N9 G C 16 15.922 22.316 22.326 1.00 30.79 N ATOM 336 C8 G C 16 14.794 22.530 21.570 1.00 29.69 C ATOM 337 N7 G C 16 15.025 22.499 20.285 1.00 29.21 N ATOM 338 C5 G C 16 16.387 22.246 20.185 1.00 30.52 C ATOM 339 C6 G C 16 17.222 22.133 19.034 1.00 30.82 C ATOM 340 O6 G C 16 16.913 22.257 17.842 1.00 32.22 O ATOM 341 N1 G C 16 18.542 21.859 19.383 1.00 30.09 N ATOM 342 C2 G C 16 19.004 21.721 20.672 1.00 31.04 C ATOM 343 N2 G C 16 20.309 21.443 20.799 1.00 29.67 N ATOM 344 N3 G C 16 18.240 21.844 21.754 1.00 30.15 N ATOM 345 C4 G C 16 16.952 22.108 21.436 1.00 29.65 C ATOM 346 P G C 17 16.483 26.993 24.848 1.00 31.88 P ATOM 347 OP1 G C 17 16.473 27.942 25.986 1.00 32.62 O ATOM 348 OP2 G C 17 15.723 27.324 23.614 1.00 33.24 O ATOM 349 O5' G C 17 18.006 26.715 24.466 1.00 30.77 O ATOM 350 C5' G C 17 18.970 26.476 25.488 1.00 28.96 C ATOM 351 C4' G C 17 20.339 26.233 24.894 1.00 28.15 C ATOM 352 O4' G C 17 20.346 24.996 24.130 1.00 28.13 O ATOM 353 C3' G C 17 20.857 27.267 23.907 1.00 26.77 C ATOM 354 O3' G C 17 21.284 28.514 24.459 1.00 25.24 O ATOM 355 C2' G C 17 21.940 26.475 23.192 1.00 26.59 C ATOM 356 O2' G C 17 23.116 26.342 23.974 1.00 26.01 O ATOM 357 C1' G C 17 21.250 25.115 23.040 1.00 25.20 C ATOM 358 N9 G C 17 20.477 25.012 21.804 1.00 24.85 N ATOM 359 C8 G C 17 19.116 25.174 21.667 1.00 23.52 C ATOM 360 N7 G C 17 18.700 25.013 20.437 1.00 23.71 N ATOM 361 C5 G C 17 19.854 24.726 19.717 1.00 23.45 C ATOM 362 C6 G C 17 20.031 24.445 18.331 1.00 23.36 C ATOM 363 O6 G C 17 19.174 24.367 17.446 1.00 24.10 O ATOM 364 N1 G C 17 21.371 24.235 18.019 1.00 21.03 N ATOM 365 C2 G C 17 22.408 24.273 18.924 1.00 21.62 C ATOM 366 N2 G C 17 23.636 24.053 18.430 1.00 17.59 N ATOM 367 N3 G C 17 22.253 24.513 20.219 1.00 20.85 N ATOM 368 C4 G C 17 20.962 24.731 20.543 1.00 22.77 C TER 369 G C 17 ATOM 370 O5' C D 20 26.184 18.509 13.784 1.00 40.06 O ATOM 371 C5' C D 20 25.264 17.951 14.720 1.00 38.84 C ATOM 372 C4' C D 20 25.357 18.616 16.073 1.00 37.82 C ATOM 373 O4' C D 20 24.706 19.914 16.006 1.00 37.69 O ATOM 374 C3' C D 20 24.623 17.889 17.188 1.00 36.99 C ATOM 375 O3' C D 20 25.437 16.868 17.754 1.00 34.71 O ATOM 376 C2' C D 20 24.325 19.019 18.165 1.00 36.69 C ATOM 377 O2' C D 20 25.454 19.385 18.936 1.00 36.06 O ATOM 378 C1' C D 20 23.973 20.153 17.198 1.00 35.88 C ATOM 379 N1 C D 20 22.545 20.225 16.837 1.00 34.12 N ATOM 380 C2 C D 20 21.641 20.831 17.723 1.00 32.86 C ATOM 381 O2 C D 20 22.055 21.247 18.811 1.00 32.82 O ATOM 382 N3 C D 20 20.341 20.943 17.370 1.00 31.59 N ATOM 383 C4 C D 20 19.928 20.472 16.190 1.00 33.27 C ATOM 384 N4 C D 20 18.636 20.626 15.867 1.00 32.12 N ATOM 385 C5 C D 20 20.819 19.826 15.283 1.00 34.18 C ATOM 386 C6 C D 20 22.107 19.725 15.644 1.00 33.97 C ATOM 387 P A D 21 24.770 15.467 18.166 1.00 33.04 P ATOM 388 OP1 A D 21 25.858 14.490 18.414 1.00 34.04 O ATOM 389 OP2 A D 21 23.702 15.155 17.177 1.00 33.13 O ATOM 390 O5' A D 21 24.021 15.780 19.541 1.00 31.96 O ATOM 391 C5' A D 21 24.754 16.031 20.735 1.00 27.61 C ATOM 392 C4' A D 21 23.807 16.322 21.875 1.00 25.32 C ATOM 393 O4' A D 21 23.193 17.626 21.687 1.00 23.52 O ATOM 394 C3' A D 21 22.624 15.379 21.992 1.00 23.98 C ATOM 395 O3' A D 21 22.958 14.184 22.673 1.00 24.77 O ATOM 396 C2' A D 21 21.642 16.220 22.785 1.00 22.71 C ATOM 397 O2' A D 21 21.980 16.297 24.147 1.00 24.00 O ATOM 398 C1' A D 21 21.849 17.584 22.139 1.00 21.92 C ATOM 399 N9 A D 21 20.969 17.756 20.985 1.00 20.83 N ATOM 400 C8 A D 21 21.255 17.575 19.652 1.00 18.61 C ATOM 401 N7 A D 21 20.241 17.814 18.858 1.00 19.14 N ATOM 402 C5 A D 21 19.216 18.175 19.724 1.00 18.33 C ATOM 403 C6 A D 21 17.878 18.556 19.506 1.00 20.09 C ATOM 404 N6 A D 21 17.325 18.659 18.286 1.00 18.85 N ATOM 405 N1 A D 21 17.119 18.839 20.594 1.00 16.57 N ATOM 406 C2 A D 21 17.681 18.757 21.805 1.00 17.81 C ATOM 407 N3 A D 21 18.931 18.422 22.137 1.00 16.15 N ATOM 408 C4 A D 21 19.651 18.138 21.038 1.00 20.01 C ATOM 409 P G D 22 22.092 12.858 22.415 1.00 25.13 P ATOM 410 OP1 G D 22 22.833 11.758 23.067 1.00 26.17 O ATOM 411 OP2 G D 22 21.747 12.759 20.976 1.00 25.37 O ATOM 412 O5' G D 22 20.739 13.124 23.212 1.00 27.09 O ATOM 413 C5' G D 22 20.750 13.300 24.621 1.00 26.07 C ATOM 414 C4' G D 22 19.372 13.665 25.108 1.00 26.92 C ATOM 415 O4' G D 22 18.987 14.954 24.558 1.00 26.40 O ATOM 416 C3' G D 22 18.248 12.743 24.669 1.00 27.80 C ATOM 417 O3' G D 22 18.170 11.570 25.471 1.00 29.21 O ATOM 418 C2' G D 22 17.041 13.649 24.852 1.00 27.55 C ATOM 419 O2' G D 22 16.728 13.817 26.221 1.00 26.65 O ATOM 420 C1' G D 22 17.587 14.962 24.287 1.00 26.94 C ATOM 421 N9 G D 22 17.415 15.060 22.839 1.00 25.31 N ATOM 422 C8 G D 22 18.387 14.843 21.891 1.00 24.38 C ATOM 423 N7 G D 22 17.961 15.003 20.670 1.00 21.70 N ATOM 424 C5 G D 22 16.626 15.346 20.813 1.00 24.31 C ATOM 425 C6 G D 22 15.645 15.648 19.827 1.00 23.91 C ATOM 426 O6 G D 22 15.772 15.668 18.595 1.00 24.67 O ATOM 427 N1 G D 22 14.415 15.946 20.405 1.00 24.22 N ATOM 428 C2 G D 22 14.160 15.950 21.757 1.00 25.87 C ATOM 429 N2 G D 22 12.912 16.255 22.115 1.00 28.00 N ATOM 430 N3 G D 22 15.066 15.675 22.687 1.00 25.53 N ATOM 431 C4 G D 22 16.269 15.384 22.148 1.00 25.02 C ATOM 432 P C D 23 17.692 10.183 24.806 1.00 30.44 P ATOM 433 OP1 C D 23 17.905 9.117 25.817 1.00 31.42 O ATOM 434 OP2 C D 23 18.338 10.055 23.470 1.00 31.05 O ATOM 435 O5' C D 23 16.124 10.394 24.608 1.00 29.48 O ATOM 436 C5' C D 23 15.295 10.728 25.719 1.00 29.47 C ATOM 437 C4' C D 23 13.899 11.095 25.263 1.00 30.36 C ATOM 438 O4' C D 23 13.932 12.340 24.508 1.00 30.63 O ATOM 439 C3' C D 23 13.202 10.131 24.316 1.00 31.38 C ATOM 440 O3' C D 23 12.625 9.014 24.975 1.00 31.90 O ATOM 441 C2' C D 23 12.126 11.023 23.724 1.00 31.52 C ATOM 442 O2' C D 23 11.066 11.221 24.640 1.00 31.35 O ATOM 443 C1' C D 23 12.907 12.324 23.524 1.00 30.78 C ATOM 444 N1 C D 23 13.533 12.373 22.191 1.00 30.22 N ATOM 445 C2 C D 23 12.756 12.776 21.106 1.00 30.22 C ATOM 446 O2 C D 23 11.574 13.077 21.304 1.00 29.20 O ATOM 447 N3 C D 23 13.307 12.816 19.868 1.00 30.14 N ATOM 448 C4 C D 23 14.580 12.455 19.696 1.00 31.11 C ATOM 449 N4 C D 23 15.082 12.495 18.457 1.00 31.57 N ATOM 450 C5 C D 23 15.398 12.035 20.788 1.00 30.65 C ATOM 451 C6 C D 23 14.840 12.016 22.008 1.00 30.86 C ATOM 452 P G D 24 12.659 7.581 24.258 1.00 33.21 P ATOM 453 OP1 G D 24 12.269 6.560 25.261 1.00 33.62 O ATOM 454 OP2 G D 24 13.958 7.452 23.551 1.00 33.97 O ATOM 455 O5' G D 24 11.527 7.688 23.138 1.00 33.26 O ATOM 456 C5' G D 24 10.161 7.882 23.499 1.00 31.01 C ATOM 457 C4' G D 24 9.333 8.299 22.298 1.00 29.42 C ATOM 458 O4' G D 24 9.831 9.558 21.772 1.00 28.73 O ATOM 459 C3' G D 24 9.339 7.402 21.068 1.00 28.50 C ATOM 460 O3' G D 24 8.495 6.267 21.203 1.00 27.56 O ATOM 461 C2' G D 24 8.793 8.356 20.015 1.00 29.60 C ATOM 462 O2' G D 24 7.396 8.553 20.118 1.00 30.61 O ATOM 463 C1' G D 24 9.520 9.647 20.386 1.00 28.15 C ATOM 464 N9 G D 24 10.760 9.756 19.624 1.00 27.94 N ATOM 465 C8 G D 24 12.046 9.568 20.072 1.00 26.54 C ATOM 466 N7 G D 24 12.941 9.700 19.130 1.00 26.38 N ATOM 467 C5 G D 24 12.201 10.008 17.995 1.00 26.52 C ATOM 468 C6 G D 24 12.620 10.275 16.665 1.00 25.69 C ATOM 469 O6 G D 24 13.770 10.308 16.213 1.00 25.29 O ATOM 470 N1 G D 24 11.534 10.529 15.825 1.00 23.99 N ATOM 471 C2 G D 24 10.217 10.534 16.219 1.00 24.00 C ATOM 472 N2 G D 24 9.305 10.789 15.267 1.00 20.22 N ATOM 473 N3 G D 24 9.819 10.303 17.457 1.00 24.37 N ATOM 474 C4 G D 24 10.855 10.047 18.285 1.00 26.36 C ATOM 475 P U D 25 8.634 5.047 20.166 1.00 26.90 P ATOM 476 OP1 U D 25 7.709 3.972 20.595 1.00 26.73 O ATOM 477 OP2 U D 25 10.070 4.737 19.978 1.00 25.89 O ATOM 478 O5' U D 25 8.100 5.654 18.794 1.00 27.08 O ATOM 479 C5' U D 25 6.731 6.012 18.632 1.00 25.92 C ATOM 480 C4' U D 25 6.434 6.309 17.179 1.00 23.17 C ATOM 481 O4' U D 25 7.248 7.430 16.735 1.00 22.57 O ATOM 482 C3' U D 25 6.787 5.214 16.188 1.00 22.40 C ATOM 483 O3' U D 25 5.782 4.215 16.116 1.00 20.15 O ATOM 484 C2' U D 25 6.865 5.992 14.886 1.00 22.74 C ATOM 485 O2' U D 25 5.579 6.307 14.390 1.00 24.81 O ATOM 486 C1' U D 25 7.546 7.275 15.353 1.00 22.94 C ATOM 487 N1 U D 25 9.006 7.272 15.161 1.00 21.66 N ATOM 488 C2 U D 25 9.472 7.547 13.879 1.00 22.07 C ATOM 489 O2 U D 25 8.723 7.693 12.928 1.00 21.45 O ATOM 490 N3 U D 25 10.841 7.632 13.754 1.00 19.83 N ATOM 491 C4 U D 25 11.779 7.447 14.759 1.00 22.23 C ATOM 492 O4 U D 25 12.977 7.654 14.520 1.00 20.79 O ATOM 493 C5 U D 25 11.219 7.106 16.044 1.00 21.01 C ATOM 494 C6 U D 25 9.883 7.034 16.195 1.00 20.39 C ATOM 495 P C D 26 6.211 2.677 16.002 1.00 19.24 P ATOM 496 OP1 C D 26 4.984 1.882 16.196 1.00 22.44 O ATOM 497 OP2 C D 26 7.379 2.449 16.900 1.00 22.11 O ATOM 498 O5' C D 26 6.731 2.517 14.504 1.00 22.39 O ATOM 499 C5' C D 26 5.854 2.685 13.402 1.00 21.79 C ATOM 500 C4' C D 26 6.641 2.889 12.126 1.00 22.50 C ATOM 501 O4' C D 26 7.395 4.133 12.182 1.00 21.95 O ATOM 502 C3' C D 26 7.711 1.864 11.809 1.00 21.17 C ATOM 503 O3' C D 26 7.156 0.678 11.272 1.00 23.67 O ATOM 504 C2' C D 26 8.528 2.609 10.766 1.00 21.72 C ATOM 505 O2' C D 26 7.907 2.647 9.495 1.00 21.21 O ATOM 506 C1' C D 26 8.557 4.012 11.370 1.00 20.22 C ATOM 507 N1 C D 26 9.746 4.180 12.217 1.00 19.72 N ATOM 508 C2 C D 26 10.969 4.445 11.598 1.00 17.68 C ATOM 509 O2 C D 26 11.001 4.536 10.361 1.00 14.74 O ATOM 510 N3 C D 26 12.082 4.584 12.361 1.00 18.61 N ATOM 511 C4 C D 26 11.998 4.456 13.689 1.00 19.14 C ATOM 512 N4 C D 26 13.121 4.577 14.406 1.00 20.92 N ATOM 513 C5 C D 26 10.760 4.194 14.343 1.00 19.01 C ATOM 514 C6 C D 26 9.670 4.068 13.578 1.00 18.13 C ATOM 515 P A D 27 7.893 -0.719 11.530 1.00 23.12 P ATOM 516 OP1 A D 27 7.053 -1.790 10.943 1.00 23.93 O ATOM 517 OP2 A D 27 8.274 -0.780 12.963 1.00 26.30 O ATOM 518 O5' A D 27 9.221 -0.609 10.663 1.00 23.55 O ATOM 519 C5' A D 27 9.139 -0.372 9.269 1.00 22.30 C ATOM 520 C4' A D 27 10.507 -0.125 8.700 1.00 22.03 C ATOM 521 O4' A D 27 11.050 1.117 9.225 1.00 21.42 O ATOM 522 C3' A D 27 11.560 -1.153 9.061 1.00 21.47 C ATOM 523 O3' A D 27 11.443 -2.302 8.237 1.00 24.77 O ATOM 524 C2' A D 27 12.835 -0.375 8.778 1.00 22.08 C ATOM 525 O2' A D 27 13.099 -0.269 7.396 1.00 20.70 O ATOM 526 C1' A D 27 12.465 1.003 9.325 1.00 20.52 C ATOM 527 N9 A D 27 12.845 1.140 10.731 1.00 19.97 N ATOM 528 C8 A D 27 12.051 1.015 11.849 1.00 18.29 C ATOM 529 N7 A D 27 12.697 1.197 12.976 1.00 18.56 N ATOM 530 C5 A D 27 13.996 1.469 12.576 1.00 17.65 C ATOM 531 C6 A D 27 15.162 1.777 13.299 1.00 18.42 C ATOM 532 N6 A D 27 15.198 1.897 14.630 1.00 17.10 N ATOM 533 N1 A D 27 16.298 1.976 12.599 1.00 15.96 N ATOM 534 C2 A D 27 16.252 1.888 11.266 1.00 17.95 C ATOM 535 N3 A D 27 15.214 1.626 10.470 1.00 17.81 N ATOM 536 C4 A D 27 14.104 1.425 11.197 1.00 17.86 C ATOM 537 P C D 28 11.868 -3.741 8.811 1.00 24.32 P ATOM 538 OP1 C D 28 11.635 -4.742 7.739 1.00 26.64 O ATOM 539 OP2 C D 28 11.232 -3.925 10.136 1.00 24.68 O ATOM 540 O5' C D 28 13.438 -3.613 9.041 1.00 25.34 O ATOM 541 C5' C D 28 14.328 -3.448 7.943 1.00 22.82 C ATOM 542 C4' C D 28 15.721 -3.142 8.444 1.00 22.64 C ATOM 543 O4' C D 28 15.698 -1.906 9.209 1.00 21.63 O ATOM 544 C3' C D 28 16.312 -4.147 9.416 1.00 21.89 C ATOM 545 O3' C D 28 16.878 -5.255 8.730 1.00 21.63 O ATOM 546 C2' C D 28 17.372 -3.310 10.113 1.00 21.78 C ATOM 547 O2' C D 28 18.503 -3.102 9.290 1.00 22.85 O ATOM 548 C1' C D 28 16.636 -1.983 10.271 1.00 20.96 C ATOM 549 N1 C D 28 15.918 -1.868 11.555 1.00 20.14 N ATOM 550 C2 C D 28 16.654 -1.542 12.700 1.00 19.64 C ATOM 551 O2 C D 28 17.878 -1.390 12.599 1.00 19.31 O ATOM 552 N3 C D 28 16.018 -1.406 13.885 1.00 19.03 N ATOM 553 C4 C D 28 14.696 -1.585 13.957 1.00 20.52 C ATOM 554 N4 C D 28 14.107 -1.419 15.154 1.00 18.38 N ATOM 555 C5 C D 28 13.917 -1.937 12.808 1.00 18.52 C ATOM 556 C6 C D 28 14.566 -2.068 11.637 1.00 19.67 C ATOM 557 P A D 29 17.047 -6.654 9.497 1.00 26.16 P ATOM 558 OP1 A D 29 17.483 -7.655 8.496 1.00 23.91 O ATOM 559 OP2 A D 29 15.819 -6.905 10.309 1.00 24.01 O ATOM 560 O5' A D 29 18.248 -6.397 10.517 1.00 25.37 O ATOM 561 C5' A D 29 19.573 -6.157 10.043 1.00 23.39 C ATOM 562 C4' A D 29 20.492 -5.832 11.197 1.00 24.06 C ATOM 563 O4' A D 29 20.089 -4.573 11.806 1.00 23.80 O ATOM 564 C3' A D 29 20.496 -6.820 12.357 1.00 24.08 C ATOM 565 O3' A D 29 21.362 -7.922 12.105 1.00 24.26 O ATOM 566 C2' A D 29 21.033 -5.955 13.485 1.00 24.40 C ATOM 567 O2' A D 29 22.424 -5.760 13.347 1.00 25.68 O ATOM 568 C1' A D 29 20.317 -4.629 13.209 1.00 24.78 C ATOM 569 N9 A D 29 19.026 -4.507 13.890 1.00 22.86 N ATOM 570 C8 A D 29 17.781 -4.770 13.373 1.00 23.30 C ATOM 571 N7 A D 29 16.798 -4.531 14.210 1.00 23.81 N ATOM 572 C5 A D 29 17.438 -4.088 15.358 1.00 21.67 C ATOM 573 C6 A D 29 16.951 -3.656 16.606 1.00 21.61 C ATOM 574 N6 A D 29 15.649 -3.569 16.911 1.00 19.57 N ATOM 575 N1 A D 29 17.857 -3.300 17.540 1.00 17.43 N ATOM 576 C2 A D 29 19.156 -3.364 17.231 1.00 20.19 C ATOM 577 N3 A D 29 19.737 -3.736 16.091 1.00 22.20 N ATOM 578 C4 A D 29 18.812 -4.087 15.181 1.00 22.93 C ATOM 579 P C D 30 21.026 -9.358 12.739 1.00 27.90 P ATOM 580 OP1 C D 30 21.939 -10.352 12.121 1.00 29.42 O ATOM 581 OP2 C D 30 19.561 -9.576 12.672 1.00 28.84 O ATOM 582 O5' C D 30 21.403 -9.194 14.280 1.00 27.19 O ATOM 583 C5' C D 30 22.719 -8.831 14.686 1.00 23.93 C ATOM 584 C4' C D 30 22.732 -8.464 16.153 1.00 23.61 C ATOM 585 O4' C D 30 21.963 -7.248 16.351 1.00 24.53 O ATOM 586 C3' C D 30 22.053 -9.448 17.086 1.00 23.50 C ATOM 587 O3' C D 30 22.874 -10.552 17.416 1.00 21.82 O ATOM 588 C2' C D 30 21.757 -8.584 18.302 1.00 23.54 C ATOM 589 O2' C D 30 22.881 -8.393 19.140 1.00 24.04 O ATOM 590 C1' C D 30 21.356 -7.266 17.637 1.00 23.07 C ATOM 591 N1 C D 30 19.893 -7.136 17.481 1.00 21.15 N ATOM 592 C2 C D 30 19.150 -6.588 18.534 1.00 20.70 C ATOM 593 O2 C D 30 19.743 -6.208 19.543 1.00 22.46 O ATOM 594 N3 C D 30 17.801 -6.485 18.420 1.00 20.74 N ATOM 595 C4 C D 30 17.199 -6.891 17.300 1.00 20.87 C ATOM 596 N4 C D 30 15.876 -6.756 17.216 1.00 21.09 N ATOM 597 C5 C D 30 17.933 -7.449 16.211 1.00 21.50 C ATOM 598 C6 C D 30 19.265 -7.549 16.342 1.00 20.23 C ATOM 599 P C D 31 22.195 -11.893 17.960 1.00 21.80 P ATOM 600 OP1 C D 31 23.251 -12.926 18.035 1.00 25.60 O ATOM 601 OP2 C D 31 20.982 -12.149 17.144 1.00 24.57 O ATOM 602 O5' C D 31 21.718 -11.522 19.442 1.00 22.12 O ATOM 603 C5' C D 31 22.662 -11.255 20.472 1.00 18.13 C ATOM 604 C4' C D 31 21.953 -10.986 21.779 1.00 20.06 C ATOM 605 O4' C D 31 21.164 -9.766 21.690 1.00 19.45 O ATOM 606 C3' C D 31 20.943 -12.030 22.213 1.00 19.93 C ATOM 607 O3' C D 31 21.572 -13.147 22.822 1.00 18.79 O ATOM 608 C2' C D 31 20.105 -11.241 23.208 1.00 19.76 C ATOM 609 O2' C D 31 20.765 -11.077 24.451 1.00 19.12 O ATOM 610 C1' C D 31 20.004 -9.887 22.504 1.00 17.46 C ATOM 611 N1 C D 31 18.806 -9.751 21.649 1.00 15.51 N ATOM 612 C2 C D 31 17.574 -9.355 22.239 1.00 17.49 C ATOM 613 O2 C D 31 17.526 -9.140 23.470 1.00 10.96 O ATOM 614 N3 C D 31 16.474 -9.215 21.447 1.00 13.66 N ATOM 615 C4 C D 31 16.565 -9.443 20.134 1.00 15.82 C ATOM 616 N4 C D 31 15.461 -9.260 19.388 1.00 11.50 N ATOM 617 C5 C D 31 17.793 -9.859 19.518 1.00 13.73 C ATOM 618 C6 C D 31 18.873 -9.997 20.304 1.00 13.85 C ATOM 619 P A D 32 20.890 -14.589 22.712 1.00 23.18 P ATOM 620 OP1 A D 32 21.941 -15.581 23.043 1.00 20.64 O ATOM 621 OP2 A D 32 20.183 -14.682 21.408 1.00 22.06 O ATOM 622 O5' A D 32 19.773 -14.569 23.851 1.00 21.46 O ATOM 623 C5' A D 32 20.122 -14.417 25.224 1.00 20.80 C ATOM 624 C4' A D 32 18.880 -14.196 26.053 1.00 17.47 C ATOM 625 O4' A D 32 18.304 -12.904 25.724 1.00 19.40 O ATOM 626 C3' A D 32 17.752 -15.167 25.768 1.00 19.07 C ATOM 627 O3' A D 32 17.877 -16.397 26.454 1.00 16.66 O ATOM 628 C2' A D 32 16.539 -14.399 26.254 1.00 19.73 C ATOM 629 O2' A D 32 16.417 -14.467 27.656 1.00 23.55 O ATOM 630 C1' A D 32 16.884 -12.977 25.809 1.00 19.45 C ATOM 631 N9 A D 32 16.323 -12.677 24.492 1.00 18.22 N ATOM 632 C8 A D 32 16.970 -12.746 23.286 1.00 19.72 C ATOM 633 N7 A D 32 16.212 -12.450 22.261 1.00 18.93 N ATOM 634 C5 A D 32 14.983 -12.159 22.826 1.00 17.95 C ATOM 635 C6 A D 32 13.756 -11.778 22.261 1.00 19.38 C ATOM 636 N6 A D 32 13.578 -11.621 20.945 1.00 18.06 N ATOM 637 N1 A D 32 12.712 -11.562 23.100 1.00 16.81 N ATOM 638 C2 A D 32 12.911 -11.722 24.417 1.00 17.18 C ATOM 639 N3 A D 32 14.023 -12.078 25.068 1.00 16.93 N ATOM 640 C4 A D 32 15.035 -12.286 24.204 1.00 19.45 C ATOM 641 P C D 33 17.229 -17.711 25.806 1.00 22.54 P ATOM 642 OP1 C D 33 17.591 -18.873 26.652 1.00 23.20 O ATOM 643 OP2 C D 33 17.569 -17.725 24.358 1.00 24.02 O ATOM 644 O5' C D 33 15.652 -17.465 25.901 1.00 21.99 O ATOM 645 C5' C D 33 15.002 -17.330 27.161 1.00 18.58 C ATOM 646 C4' C D 33 13.589 -16.811 26.979 1.00 18.22 C ATOM 647 O4' C D 33 13.626 -15.539 26.281 1.00 18.61 O ATOM 648 C3' C D 33 12.654 -17.634 26.111 1.00 17.69 C ATOM 649 O3' C D 33 12.128 -18.743 26.818 1.00 18.16 O ATOM 650 C2' C D 33 11.580 -16.609 25.775 1.00 18.56 C ATOM 651 O2' C D 33 10.705 -16.317 26.844 1.00 18.15 O ATOM 652 C1' C D 33 12.435 -15.372 25.525 1.00 17.92 C ATOM 653 N1 C D 33 12.773 -15.261 24.095 1.00 18.35 N ATOM 654 C2 C D 33 11.801 -14.740 23.231 1.00 16.68 C ATOM 655 O2 C D 33 10.716 -14.383 23.706 1.00 10.61 O ATOM 656 N3 C D 33 12.069 -14.644 21.908 1.00 14.32 N ATOM 657 C4 C D 33 13.253 -15.036 21.438 1.00 15.63 C ATOM 658 N4 C D 33 13.474 -14.911 20.115 1.00 14.54 N ATOM 659 C5 C D 33 14.267 -15.571 22.295 1.00 14.91 C ATOM 660 C6 C D 33 13.986 -15.663 23.604 1.00 16.34 C ATOM 661 P C D 34 11.511 -19.981 26.004 1.00 19.95 P ATOM 662 OP1 C D 34 11.190 -21.054 26.978 1.00 20.15 O ATOM 663 OP2 C D 34 12.387 -20.271 24.848 1.00 20.61 O ATOM 664 O5' C D 34 10.145 -19.422 25.404 1.00 20.52 O ATOM 665 C5' C D 34 9.029 -19.142 26.234 1.00 18.19 C ATOM 666 C4' C D 34 7.817 -18.817 25.384 1.00 16.87 C ATOM 667 O4' C D 34 8.087 -17.634 24.583 1.00 16.03 O ATOM 668 C3' C D 34 7.410 -19.866 24.361 1.00 17.63 C ATOM 669 O3' C D 34 6.586 -20.867 24.954 1.00 17.13 O ATOM 670 C2' C D 34 6.612 -19.036 23.368 1.00 16.53 C ATOM 671 O2' C D 34 5.338 -18.760 23.899 1.00 15.03 O ATOM 672 C1' C D 34 7.432 -17.742 23.327 1.00 16.19 C ATOM 673 N1 C D 34 8.455 -17.692 22.255 1.00 14.49 N ATOM 674 C2 C D 34 8.052 -17.360 20.939 1.00 15.69 C ATOM 675 O2 C D 34 6.844 -17.168 20.709 1.00 13.99 O ATOM 676 N3 C D 34 8.992 -17.261 19.962 1.00 13.02 N ATOM 677 C4 C D 34 10.284 -17.481 20.256 1.00 14.52 C ATOM 678 N4 C D 34 11.191 -17.326 19.281 1.00 9.78 N ATOM 679 C5 C D 34 10.707 -17.857 21.572 1.00 12.22 C ATOM 680 C6 C D 34 9.770 -17.949 22.527 1.00 10.59 C ATOM 681 P C D 35 6.577 -22.354 24.347 1.00 20.02 P ATOM 682 OP1 C D 35 5.822 -23.200 25.300 1.00 20.33 O ATOM 683 OP2 C D 35 7.975 -22.722 23.984 1.00 19.06 O ATOM 684 O5' C D 35 5.727 -22.217 23.001 1.00 19.64 O ATOM 685 C5' C D 35 4.420 -21.629 23.005 1.00 18.71 C ATOM 686 C4' C D 35 3.946 -21.389 21.585 1.00 17.86 C ATOM 687 O4' C D 35 4.706 -20.320 20.961 1.00 16.43 O ATOM 688 C3' C D 35 4.149 -22.572 20.656 1.00 19.59 C ATOM 689 O3' C D 35 3.113 -23.511 20.872 1.00 18.21 O ATOM 690 C2' C D 35 4.141 -21.918 19.281 1.00 19.68 C ATOM 691 O2' C D 35 2.826 -21.678 18.830 1.00 23.04 O ATOM 692 C1' C D 35 4.836 -20.583 19.572 1.00 17.40 C ATOM 693 N1 C D 35 6.267 -20.553 19.201 1.00 14.83 N ATOM 694 C2 C D 35 6.598 -20.299 17.870 1.00 13.65 C ATOM 695 O2 C D 35 5.682 -20.172 17.049 1.00 16.02 O ATOM 696 N3 C D 35 7.903 -20.207 17.509 1.00 9.10 N ATOM 697 C4 C D 35 8.858 -20.372 18.425 1.00 8.45 C ATOM 698 N4 C D 35 10.123 -20.233 18.041 1.00 4.94 N ATOM 699 C5 C D 35 8.552 -20.674 19.785 1.00 9.02 C ATOM 700 C6 C D 35 7.254 -20.751 20.128 1.00 12.59 C TER 701 C D 35 HETATM 702 O HOH C 18 26.068 23.571 19.622 1.00 41.33 O HETATM 703 O HOH C 19 14.455 17.493 14.231 1.00 29.39 O HETATM 704 O HOH C 20 4.866 -14.346 21.574 1.00 19.06 O HETATM 705 O HOH C 21 5.982 14.401 8.578 1.00 27.47 O HETATM 706 O HOH C 22 15.210 13.111 3.190 1.00 46.57 O HETATM 707 O HOH C 23 7.892 -9.470 16.778 1.00 13.29 O HETATM 708 O HOH C 24 9.819 -7.005 19.613 1.00 19.72 O HETATM 709 O HOH C 25 5.154 22.181 22.211 1.00 25.28 O HETATM 710 O HOH C 26 22.181 -2.759 21.662 1.00 30.91 O HETATM 711 O HOH C 27 8.533 -4.395 22.557 1.00 39.27 O HETATM 712 O HOH C 28 11.314 11.687 3.251 1.00 18.13 O HETATM 713 O HOH C 29 14.140 20.515 15.425 1.00 39.71 O HETATM 714 O HOH C 30 16.586 17.929 11.799 1.00 35.76 O HETATM 715 O HOH C 31 15.806 3.504 6.289 1.00 24.14 O HETATM 716 O HOH C 32 9.956 -5.252 30.147 1.00 16.90 O HETATM 717 O HOH C 33 17.967 -6.146 25.836 1.00 22.94 O HETATM 718 O HOH C 34 3.061 -16.554 15.686 1.00 31.64 O HETATM 719 O HOH C 35 16.604 11.465 12.247 1.00 27.83 O HETATM 720 O HOH C 36 17.029 12.025 9.509 1.00 32.48 O HETATM 721 O HOH C 37 13.600 14.855 12.685 1.00 23.76 O HETATM 722 O HOH C 38 2.821 -17.243 18.445 1.00 31.11 O HETATM 723 O HOH C 39 8.375 -11.008 14.573 1.00 33.65 O HETATM 724 O HOH C 40 1.087 -10.363 13.233 1.00 36.02 O HETATM 725 O HOH C 41 7.435 -6.609 19.698 1.00 29.80 O HETATM 726 O HOH C 42 22.638 -0.465 14.341 1.00 47.12 O HETATM 727 O HOH C 43 15.264 13.805 14.552 1.00 29.67 O HETATM 728 O HOH C 44 10.739 -12.598 15.553 1.00 33.38 O HETATM 729 O HOH C 45 12.111 -15.256 13.839 1.00 29.43 O HETATM 730 O HOH C 46 11.058 -4.284 20.745 1.00 43.04 O HETATM 731 O HOH C 47 16.896 6.116 14.759 1.00 25.13 O HETATM 732 O HOH C 48 14.998 5.789 4.280 1.00 43.37 O HETATM 733 O HOH C 49 14.840 1.444 20.821 1.00 41.19 O HETATM 734 O HOH C 50 13.119 0.111 29.291 1.00 46.55 O HETATM 735 O HOH C 51 13.274 -16.897 16.708 1.00 31.67 O HETATM 736 O HOH C 52 18.488 8.744 13.737 1.00 31.56 O HETATM 737 O HOH C 53 28.155 4.933 21.054 1.00 32.29 O HETATM 738 O HOH C 54 7.070 -1.644 24.371 1.00 31.77 O HETATM 739 O HOH C 55 18.532 10.049 3.210 1.00 29.34 O HETATM 740 O HOH C 56 3.943 19.661 13.394 1.00 44.64 O HETATM 741 O HOH C 57 17.749 13.523 5.430 1.00 36.44 O HETATM 742 O HOH C 58 15.208 10.656 2.356 1.00 36.05 O HETATM 743 O HOH C 59 9.918 -2.829 29.755 1.00 20.91 O HETATM 744 O HOH C 60 12.357 4.622 6.342 1.00 33.76 O HETATM 745 O HOH C 61 27.821 3.902 18.556 1.00 31.90 O HETATM 746 O HOH C 62 24.648 11.615 13.279 1.00 39.11 O HETATM 747 O HOH C 63 13.486 25.662 21.029 1.00 46.68 O HETATM 748 O HOH C 64 10.291 6.922 8.638 1.00 36.05 O HETATM 749 O HOH C 65 17.175 2.379 29.219 1.00 39.31 O HETATM 750 O HOH C 66 21.882 3.683 12.023 1.00 40.35 O HETATM 751 O HOH C 67 16.814 19.324 9.420 1.00 39.94 O HETATM 752 O HOH C 68 21.065 6.704 20.360 1.00 37.10 O HETATM 753 O HOH C 69 16.817 -3.436 29.524 1.00 31.76 O HETATM 754 O HOH C 70 16.808 -3.578 32.102 1.00 37.93 O HETATM 755 O HOH C 71 20.036 2.950 15.359 1.00 38.56 O HETATM 756 O HOH C 72 20.637 2.267 28.012 1.00 40.10 O HETATM 757 O HOH C 73 20.557 11.248 10.150 1.00 43.80 O HETATM 758 O HOH D 36 22.390 -3.224 15.902 1.00 31.88 O HETATM 759 O HOH D 37 13.800 -11.940 27.678 1.00 22.83 O HETATM 760 O HOH D 38 10.139 3.213 17.456 1.00 22.08 O HETATM 761 O HOH D 39 7.866 -4.632 10.499 1.00 36.94 O HETATM 762 O HOH D 40 16.520 6.987 25.724 1.00 28.75 O HETATM 763 O HOH D 41 15.775 -10.419 16.776 1.00 22.83 O HETATM 764 O HOH D 42 9.135 -14.338 25.777 1.00 10.50 O HETATM 765 O HOH D 43 14.655 -12.343 18.122 1.00 23.48 O HETATM 766 O HOH D 44 15.752 8.764 18.965 1.00 19.38 O HETATM 767 O HOH D 45 3.226 5.132 14.025 1.00 27.09 O HETATM 768 O HOH D 46 4.165 -16.986 21.297 1.00 21.50 O HETATM 769 O HOH D 47 15.752 -15.550 18.290 1.00 27.64 O HETATM 770 O HOH D 48 14.694 15.769 25.761 1.00 23.60 O HETATM 771 O HOH D 49 11.199 -1.696 15.100 1.00 25.69 O HETATM 772 O HOH D 50 12.033 5.963 19.129 1.00 19.06 O HETATM 773 O HOH D 51 3.173 2.998 17.671 1.00 27.98 O HETATM 774 O HOH D 52 12.079 -20.893 20.358 1.00 28.47 O HETATM 775 O HOH D 53 15.580 1.524 7.916 1.00 26.13 O HETATM 776 O HOH D 54 6.163 10.712 15.990 1.00 22.91 O HETATM 777 O HOH D 55 20.713 -2.038 10.396 1.00 28.89 O HETATM 778 O HOH D 56 25.026 12.059 24.714 1.00 26.93 O HETATM 779 O HOH D 57 14.360 -8.043 14.907 1.00 23.06 O HETATM 780 O HOH D 58 11.673 -12.804 28.612 1.00 32.69 O HETATM 781 O HOH D 59 12.441 1.271 15.825 1.00 21.61 O HETATM 782 O HOH D 60 0.591 -23.475 19.941 1.00 27.24 O HETATM 783 O HOH D 61 18.113 11.140 18.261 1.00 33.95 O HETATM 784 O HOH D 62 8.310 -23.903 21.606 1.00 24.45 O HETATM 785 O HOH D 63 7.168 10.373 18.348 1.00 40.91 O HETATM 786 O HOH D 64 18.077 -16.250 21.973 1.00 20.21 O HETATM 787 O HOH D 65 21.418 13.788 18.202 1.00 35.02 O HETATM 788 O HOH D 66 6.221 -25.925 25.348 1.00 38.38 O HETATM 789 O HOH D 67 10.106 -21.667 22.537 1.00 44.80 O HETATM 790 O HOH D 68 20.120 -18.554 23.904 1.00 25.27 O HETATM 791 O HOH D 69 24.303 -14.474 24.000 1.00 25.12 O HETATM 792 O HOH D 70 22.575 -9.650 9.425 1.00 33.19 O HETATM 793 O HOH D 71 19.006 10.999 20.841 1.00 30.45 O HETATM 794 O HOH D 72 16.458 -13.447 19.776 1.00 27.96 O HETATM 795 O HOH D 73 9.532 -4.811 5.829 1.00 48.57 O HETATM 796 O HOH D 74 25.788 12.040 19.904 1.00 30.71 O HETATM 797 O HOH D 75 24.019 -6.123 11.391 1.00 35.97 O HETATM 798 O HOH D 76 14.141 6.557 20.845 1.00 36.80 O HETATM 799 O HOH D 77 9.765 0.530 15.177 1.00 31.61 O HETATM 800 O HOH D 78 16.790 12.108 15.535 1.00 27.46 O HETATM 801 O HOH D 79 13.361 13.750 27.246 1.00 34.41 O HETATM 802 O HOH D 80 3.159 -20.603 15.971 1.00 33.05 O HETATM 803 O HOH D 81 28.724 10.308 19.396 1.00 36.59 O HETATM 804 O HOH D 82 18.913 -13.449 18.992 1.00 30.79 O HETATM 805 O HOH D 83 12.475 -6.968 7.422 1.00 40.09 O HETATM 806 O HOH D 84 8.204 -26.576 23.909 1.00 43.55 O HETATM 807 O HOH D 85 16.209 8.235 21.701 1.00 50.52 O HETATM 808 O HOH D 86 17.454 2.930 16.272 1.00 26.71 O HETATM 809 O HOH D 87 7.149 -22.904 27.756 1.00 46.53 O HETATM 810 O HOH D 88 16.679 -21.601 26.321 1.00 38.21 O HETATM 811 O HOH D 89 22.923 -13.169 12.731 1.00 38.16 O ENDMDL MASTER 0 0 0 0 0 0 0 6 1613 4 0 8 END