USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 253 hydrogens (139 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 DT C7 :methyl 150:sc= -0.722 (180deg=-0.722) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl 150:sc= -1.92 (180deg=-1.92) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -13.944 -6.428 -10.030 1.00 0.00 C HETATM 2 C4' XTY A 1 -13.743 -7.795 -9.379 1.00 0.00 C HETATM 3 O4' XTY A 1 -12.524 -8.370 -9.874 1.00 0.00 O HETATM 4 C3' XTY A 1 -13.564 -7.763 -7.869 1.00 0.00 C HETATM 5 C2' XTY A 1 -12.068 -7.564 -7.716 1.00 0.00 C HETATM 6 C1' XTY A 1 -11.532 -8.465 -8.835 1.00 0.00 C HETATM 7 O5' XTY A 1 -14.084 -5.392 -9.054 1.00 0.00 O HETATM 8 C2 XTY A 1 -9.610 -10.889 -11.553 1.00 0.00 C HETATM 9 O2 XTY A 1 -10.096 -11.976 -11.857 1.00 0.00 O HETATM 10 N3 XTY A 1 -8.421 -10.461 -12.113 1.00 0.00 N HETATM 11 C4 XTY A 1 -7.808 -9.259 -11.829 1.00 0.00 C HETATM 12 O4 XTY A 1 -6.753 -8.953 -12.380 1.00 0.00 O HETATM 13 C5 XTY A 1 -8.433 -8.412 -10.907 1.00 0.00 C HETATM 14 C6 XTY A 1 -9.652 -8.822 -10.315 1.00 0.00 C HETATM 15 N XTY A 1 -10.238 -10.050 -10.634 1.00 0.00 N HETATM 16 CP XTY A 1 -7.853 -7.168 -10.575 1.00 0.00 C HETATM 17 CD XTY A 1 -9.707 -6.742 -9.060 1.00 0.00 C HETATM 18 C8 XTY A 1 -10.311 -7.994 -9.382 1.00 0.00 C HETATM 19 C7 XTY A 1 -8.496 -6.342 -9.655 1.00 0.00 C HETATM 20 C7A XTY A 1 -7.882 -4.993 -9.289 1.00 0.00 C HETATM 21 O3' XTY A 1 -13.877 -9.072 -7.379 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -6.892 -5.148 -8.860 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -7.797 -4.377 -10.184 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -8.518 -4.489 -8.561 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -13.096 -6.205 -10.678 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -14.831 -6.453 -10.663 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -11.775 -6.523 -7.850 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -11.710 -7.871 -6.733 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.914 -6.858 -11.033 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -7.964 -11.078 -12.784 1.00 0.00 H new HETATM 0 HN XTY A 1 -11.117 -10.330 -10.198 1.00 0.00 H new HETATM 0 HD XTY A 1 -10.192 -6.083 -8.340 1.00 0.00 H new HETATM 0 H4' XTY A 1 -14.648 -8.354 -9.619 1.00 0.00 H new HETATM 0 H3' XTY A 1 -14.169 -7.015 -7.357 1.00 0.00 H new HETATM 0 H1' XTY A 1 -11.351 -9.469 -8.450 1.00 0.00 H new ATOM 37 P DG A 2 -14.490 -9.279 -5.903 1.00 0.00 P ATOM 38 OP1 DG A 2 -15.004 -7.977 -5.422 1.00 0.00 O ATOM 39 OP2 DG A 2 -15.388 -10.456 -5.937 1.00 0.00 O ATOM 40 O5' DG A 2 -13.187 -9.657 -5.033 1.00 0.00 O ATOM 41 C5' DG A 2 -12.897 -11.018 -4.695 1.00 0.00 C ATOM 42 C4' DG A 2 -11.730 -11.120 -3.718 1.00 0.00 C ATOM 43 O4' DG A 2 -10.500 -11.161 -4.463 1.00 0.00 O ATOM 44 C3' DG A 2 -11.584 -9.930 -2.770 1.00 0.00 C ATOM 45 O3' DG A 2 -10.980 -10.425 -1.570 1.00 0.00 O ATOM 46 C2' DG A 2 -10.553 -9.048 -3.458 1.00 0.00 C ATOM 47 C1' DG A 2 -9.631 -10.091 -4.071 1.00 0.00 C ATOM 48 N9 DG A 2 -8.911 -9.600 -5.264 1.00 0.00 N ATOM 49 C8 DG A 2 -9.138 -8.463 -6.000 1.00 0.00 C ATOM 50 N7 DG A 2 -8.326 -8.321 -7.007 1.00 0.00 N ATOM 51 C5 DG A 2 -7.502 -9.437 -6.938 1.00 0.00 C ATOM 52 C6 DG A 2 -6.425 -9.823 -7.777 1.00 0.00 C ATOM 53 O6 DG A 2 -5.988 -9.245 -8.767 1.00 0.00 O ATOM 54 N1 DG A 2 -5.855 -11.016 -7.362 1.00 0.00 N ATOM 55 C2 DG A 2 -6.269 -11.751 -6.273 1.00 0.00 C ATOM 56 N2 DG A 2 -5.605 -12.878 -6.016 1.00 0.00 N ATOM 57 N3 DG A 2 -7.283 -11.398 -5.478 1.00 0.00 N ATOM 58 C4 DG A 2 -7.850 -10.231 -5.872 1.00 0.00 C ATOM 0 H5' DG A 2 -12.663 -11.576 -5.601 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.781 -11.480 -4.256 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.933 -12.014 -3.129 1.00 0.00 H new ATOM 0 H3' DG A 2 -12.523 -9.421 -2.551 1.00 0.00 H new ATOM 0 H2' DG A 2 -11.002 -8.402 -4.212 1.00 0.00 H new ATOM 0 H2'' DG A 2 -10.031 -8.400 -2.754 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.863 -10.378 -3.353 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.917 -7.753 -5.765 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.070 -11.377 -7.904 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.873 -13.458 -5.221 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.829 -13.161 -6.615 1.00 0.00 H new HETATM 70 P XTY A 3 -11.179 -9.657 -0.167 1.00 0.00 P HETATM 71 OP1 XTY A 3 -11.054 -10.647 0.924 1.00 0.00 O HETATM 72 OP2 XTY A 3 -12.394 -8.816 -0.264 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.593 -9.173 -0.460 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.488 -8.258 0.063 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.631 -7.895 -1.029 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.976 -6.934 0.640 1.00 0.00 C HETATM 77 C2' XTY A 3 -7.896 -5.985 -0.543 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.634 -6.476 -1.252 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.896 -8.685 -0.116 1.00 0.00 O HETATM 80 C2 XTY A 3 -3.680 -8.134 -3.610 1.00 0.00 C HETATM 81 O2 XTY A 3 -2.767 -8.776 -3.097 1.00 0.00 O HETATM 82 N3 XTY A 3 -3.739 -7.951 -4.978 1.00 0.00 N HETATM 83 C4 XTY A 3 -4.722 -7.244 -5.635 1.00 0.00 C HETATM 84 O4 XTY A 3 -4.695 -7.128 -6.856 1.00 0.00 O HETATM 85 C5 XTY A 3 -5.734 -6.669 -4.864 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.704 -6.836 -3.458 1.00 0.00 C HETATM 87 N XTY A 3 -4.686 -7.563 -2.833 1.00 0.00 N HETATM 88 CP XTY A 3 -6.770 -5.932 -5.480 1.00 0.00 C HETATM 89 CD XTY A 3 -7.744 -5.531 -3.290 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.710 -6.270 -2.650 1.00 0.00 C HETATM 91 C7 XTY A 3 -7.768 -5.368 -4.689 1.00 0.00 C HETATM 92 C7A XTY A 3 -8.892 -4.570 -5.343 1.00 0.00 C HETATM 93 O3' XTY A 3 -7.004 -6.509 1.600 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -8.470 -3.722 -5.883 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -9.435 -5.209 -6.039 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -9.575 -4.208 -4.575 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.511 -9.259 -1.544 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.460 -10.174 -0.050 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -8.777 -6.053 -1.182 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -7.810 -4.945 -0.228 1.00 0.00 H new HETATM 0 HP XTY A 3 -6.788 -5.806 -6.563 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.001 -8.370 -5.543 1.00 0.00 H new HETATM 0 HN XTY A 3 -4.680 -7.674 -1.819 1.00 0.00 H new HETATM 0 HD XTY A 3 -8.533 -5.082 -2.686 1.00 0.00 H new HETATM 0 H4' XTY A 3 -7.001 -8.828 0.854 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.964 -6.984 1.097 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.753 -5.952 -0.881 1.00 0.00 H new ATOM 108 P DA A 4 -7.365 -6.483 3.172 1.00 0.00 P ATOM 109 OP1 DA A 4 -7.586 -5.075 3.570 1.00 0.00 O ATOM 110 OP2 DA A 4 -8.417 -7.495 3.424 1.00 0.00 O ATOM 111 O5' DA A 4 -6.003 -6.993 3.862 1.00 0.00 O ATOM 112 C5' DA A 4 -5.397 -8.232 3.475 1.00 0.00 C ATOM 113 C4' DA A 4 -3.885 -8.206 3.693 1.00 0.00 C ATOM 114 O4' DA A 4 -3.249 -7.904 2.445 1.00 0.00 O ATOM 115 C3' DA A 4 -3.404 -7.131 4.659 1.00 0.00 C ATOM 116 O3' DA A 4 -2.165 -7.575 5.216 1.00 0.00 O ATOM 117 C2' DA A 4 -3.093 -5.946 3.760 1.00 0.00 C ATOM 118 C1' DA A 4 -2.609 -6.621 2.480 1.00 0.00 C ATOM 119 N9 DA A 4 -3.011 -5.876 1.270 1.00 0.00 N ATOM 120 C8 DA A 4 -4.134 -5.112 1.070 1.00 0.00 C ATOM 121 N7 DA A 4 -4.214 -4.602 -0.125 1.00 0.00 N ATOM 122 C5 DA A 4 -3.066 -5.057 -0.759 1.00 0.00 C ATOM 123 C6 DA A 4 -2.563 -4.865 -2.052 1.00 0.00 C ATOM 124 N6 DA A 4 -3.182 -4.140 -2.980 1.00 0.00 N ATOM 125 N1 DA A 4 -1.397 -5.454 -2.363 1.00 0.00 N ATOM 126 C2 DA A 4 -0.778 -6.186 -1.445 1.00 0.00 C ATOM 127 N3 DA A 4 -1.146 -6.444 -0.198 1.00 0.00 N ATOM 128 C4 DA A 4 -2.321 -5.835 0.080 1.00 0.00 C ATOM 0 H5' DA A 4 -5.611 -8.431 2.425 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.835 -9.048 4.050 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.635 -9.184 4.105 1.00 0.00 H new ATOM 0 H3' DA A 4 -4.119 -6.907 5.450 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.973 -5.327 3.585 1.00 0.00 H new ATOM 0 H2'' DA A 4 -2.329 -5.299 4.191 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.520 -6.676 2.485 1.00 0.00 H new ATOM 0 H8 DA A 4 -4.881 -4.949 1.833 1.00 0.00 H new ATOM 0 H61 DA A 4 -2.767 -4.035 -3.906 1.00 0.00 H new ATOM 0 H62 DA A 4 -4.071 -3.689 -2.765 1.00 0.00 H new ATOM 0 H2 DA A 4 0.154 -6.633 -1.757 1.00 0.00 H new HETATM 140 P XCS A 5 -1.769 -7.190 6.731 1.00 0.00 P HETATM 141 OP2 XCS A 5 -2.520 -5.971 7.110 1.00 0.00 O HETATM 142 C6 XCS A 5 0.259 -2.451 3.129 1.00 0.00 C HETATM 143 C2 XCS A 5 1.498 -1.468 1.313 1.00 0.00 C HETATM 144 O2 XCS A 5 2.552 -1.364 0.690 1.00 0.00 O HETATM 145 N3 XCS A 5 0.380 -0.774 0.929 1.00 0.00 N HETATM 146 C4 XCS A 5 -0.780 -0.888 1.596 1.00 0.00 C HETATM 147 N4 XCS A 5 -1.823 -0.183 1.155 1.00 0.00 N HETATM 148 C5 XCS A 5 -0.884 -1.743 2.736 1.00 0.00 C HETATM 149 OP1 XCS A 5 -1.877 -8.410 7.561 1.00 0.00 O HETATM 150 O5' XCS A 5 -0.212 -6.799 6.611 1.00 0.00 O HETATM 151 C5' XCS A 5 0.591 -7.287 5.531 1.00 0.00 C HETATM 152 C4' XCS A 5 1.707 -6.309 5.178 1.00 0.00 C HETATM 153 O4' XCS A 5 1.217 -5.381 4.198 1.00 0.00 O HETATM 154 C1' XCS A 5 1.382 -4.027 4.631 1.00 0.00 C HETATM 155 ND XCS A 5 1.444 -2.315 2.422 1.00 0.00 N HETATM 156 CP XCS A 5 -2.102 -1.869 3.439 1.00 0.00 C HETATM 157 CD XCS A 5 -1.020 -3.432 4.949 1.00 0.00 C HETATM 158 C8 XCS A 5 0.215 -3.316 4.252 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.160 -2.715 4.545 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.468 -2.869 5.314 1.00 0.00 C HETATM 161 C2' XCS A 5 1.492 -4.117 6.154 1.00 0.00 C HETATM 162 C3' XCS A 5 2.195 -5.453 6.345 1.00 0.00 C HETATM 163 O3' XCS A 5 3.594 -5.226 6.153 1.00 0.00 O HETATM 0 HN42 XCS A 5 -2.720 -0.244 1.636 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -1.723 0.417 0.336 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.776 -1.900 5.706 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.240 -3.253 4.646 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.324 -3.565 6.140 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.023 -8.250 5.803 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 -0.037 -7.455 4.656 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 2.068 -3.290 6.571 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.514 -4.099 6.635 1.00 0.00 H new HETATM 0 HP XCS A 5 -2.984 -1.313 3.121 1.00 0.00 H new HETATM 0 HND XCS A 5 2.274 -2.832 2.711 1.00 0.00 H new HETATM 0 HD XCS A 5 -1.084 -4.091 5.815 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.534 -6.930 4.834 1.00 0.00 H new HETATM 0 H3' XCS A 5 2.008 -5.906 7.319 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.249 -3.523 4.205 1.00 0.00 H new HETATM 179 P XGA A 6 4.601 -5.254 7.411 1.00 0.00 P HETATM 180 OP1 XGA A 6 5.070 -6.645 7.597 1.00 0.00 O HETATM 181 OP2 XGA A 6 3.960 -4.535 8.535 1.00 0.00 O HETATM 182 C5' XGA A 6 6.288 -4.443 5.539 1.00 0.00 C HETATM 183 O5' XGA A 6 5.843 -4.368 6.896 1.00 0.00 O HETATM 184 C4' XGA A 6 6.911 -3.128 5.080 1.00 0.00 C HETATM 185 O4' XGA A 6 5.890 -2.318 4.478 1.00 0.00 O HETATM 186 C3' XGA A 6 7.498 -2.274 6.202 1.00 0.00 C HETATM 187 C2' XGA A 6 6.408 -1.261 6.509 1.00 0.00 C HETATM 188 C1' XGA A 6 5.781 -1.053 5.137 1.00 0.00 C HETATM 189 N9 XGA A 6 4.385 -0.646 5.180 1.00 0.00 N HETATM 190 C8 XGA A 6 3.471 -0.948 6.160 1.00 0.00 C HETATM 191 N7 XGA A 6 2.285 -0.455 5.895 1.00 0.00 N HETATM 192 C4 XGA A 6 3.203 1.391 2.256 1.00 0.00 C HETATM 193 C5 XGA A 6 1.873 1.504 2.716 1.00 0.00 C HETATM 194 N3 XGA A 6 3.613 1.941 1.107 1.00 0.00 N HETATM 195 C2 XGA A 6 2.694 2.621 0.389 1.00 0.00 C HETATM 196 N2 XGA A 6 3.089 3.179 -0.780 1.00 0.00 N HETATM 197 N1 XGA A 6 1.408 2.778 0.756 1.00 0.00 N HETATM 198 C6 XGA A 6 0.959 2.218 1.936 1.00 0.00 C HETATM 199 O6 XGA A 6 -0.220 2.339 2.271 1.00 0.00 O HETATM 200 C10 XGA A 6 3.733 0.097 4.221 1.00 0.00 C HETATM 201 C11 XGA A 6 2.426 0.197 4.699 1.00 0.00 C HETATM 202 CP XGA A 6 1.480 0.906 3.944 1.00 0.00 C HETATM 203 CD XGA A 6 4.136 0.685 3.010 1.00 0.00 C HETATM 204 O3' XGA A 6 8.597 -1.550 5.642 1.00 0.00 O HETATM 0 HN22 XGA A 6 2.421 3.700 -1.348 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.055 3.078 -1.093 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 7.017 -5.247 5.438 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.447 -4.693 4.893 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 5.688 -1.642 7.234 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 6.813 -0.335 6.918 1.00 0.00 H new HETATM 0 HP XGA A 6 0.452 0.998 4.296 1.00 0.00 H new HETATM 0 HN1 XGA A 6 0.768 3.308 0.165 1.00 0.00 H new HETATM 0 HD XGA A 6 5.166 0.589 2.666 1.00 0.00 H new HETATM 0 H8 XGA A 6 3.704 -1.529 7.052 1.00 0.00 H new HETATM 0 H4' XGA A 6 7.717 -3.415 4.405 1.00 0.00 H new HETATM 0 H3' XGA A 6 7.812 -2.852 7.072 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.297 -0.242 4.623 1.00 0.00 H new ATOM 218 P DC A 7 10.072 -1.673 6.277 1.00 0.00 P ATOM 219 OP1 DC A 7 10.694 -2.915 5.769 1.00 0.00 O ATOM 220 OP2 DC A 7 9.968 -1.441 7.735 1.00 0.00 O ATOM 221 O5' DC A 7 10.841 -0.418 5.623 1.00 0.00 O ATOM 222 C5' DC A 7 10.559 0.000 4.283 1.00 0.00 C ATOM 223 C4' DC A 7 10.749 1.506 4.112 1.00 0.00 C ATOM 224 O4' DC A 7 9.475 2.106 3.816 1.00 0.00 O ATOM 225 C3' DC A 7 11.246 2.230 5.361 1.00 0.00 C ATOM 226 O3' DC A 7 11.928 3.411 4.925 1.00 0.00 O ATOM 227 C2' DC A 7 9.959 2.677 6.033 1.00 0.00 C ATOM 228 C1' DC A 7 9.124 3.070 4.818 1.00 0.00 C ATOM 229 N1 DC A 7 7.653 3.018 5.043 1.00 0.00 N ATOM 230 C2 DC A 7 6.842 3.624 4.087 1.00 0.00 C ATOM 231 O2 DC A 7 7.339 4.185 3.109 1.00 0.00 O ATOM 232 N3 DC A 7 5.492 3.590 4.258 1.00 0.00 N ATOM 233 C4 DC A 7 4.951 2.987 5.321 1.00 0.00 C ATOM 234 N4 DC A 7 3.622 2.989 5.428 1.00 0.00 N ATOM 235 C5 DC A 7 5.770 2.364 6.310 1.00 0.00 C ATOM 236 C6 DC A 7 7.103 2.399 6.137 1.00 0.00 C ATOM 0 H5' DC A 7 9.535 -0.270 4.025 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.212 -0.531 3.591 1.00 0.00 H new ATOM 0 H4' DC A 7 11.494 1.609 3.323 1.00 0.00 H new ATOM 0 H3' DC A 7 11.896 1.628 5.996 1.00 0.00 H new ATOM 0 H2' DC A 7 9.496 1.878 6.612 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.117 3.513 6.714 1.00 0.00 H new ATOM 0 H1' DC A 7 9.334 4.106 4.551 1.00 0.00 H new ATOM 0 H41 DC A 7 3.174 2.538 6.226 1.00 0.00 H new ATOM 0 H42 DC A 7 3.053 3.441 4.712 1.00 0.00 H new ATOM 0 H5 DC A 7 5.333 1.880 7.171 1.00 0.00 H new ATOM 0 H6 DC A 7 7.748 1.934 6.868 1.00 0.00 H new HETATM 248 P XAE A 8 13.160 4.007 5.774 1.00 0.00 P HETATM 249 OP1 XAE A 8 14.402 3.349 5.313 1.00 0.00 O HETATM 250 OP2 XAE A 8 12.795 3.970 7.209 1.00 0.00 O HETATM 251 C5' XAE A 8 12.914 5.918 3.955 1.00 0.00 C HETATM 252 C4' XAE A 8 12.313 7.319 3.873 1.00 0.00 C HETATM 253 O4' XAE A 8 10.888 7.227 4.040 1.00 0.00 O HETATM 254 C3' XAE A 8 12.774 8.273 4.971 1.00 0.00 C HETATM 255 C2' XAE A 8 11.730 8.071 6.056 1.00 0.00 C HETATM 256 C1' XAE A 8 10.466 7.931 5.217 1.00 0.00 C HETATM 257 O5' XAE A 8 13.203 5.548 5.309 1.00 0.00 O HETATM 258 N9 XAE A 8 9.397 7.202 5.877 1.00 0.00 N HETATM 259 C8 XAE A 8 9.545 6.219 6.823 1.00 0.00 C HETATM 260 N7 XAE A 8 8.391 5.740 7.221 1.00 0.00 N HETATM 261 C5 XAE A 8 5.278 7.181 5.696 1.00 0.00 C HETATM 262 C4 XAE A 8 5.893 8.116 4.838 1.00 0.00 C HETATM 263 C6 XAE A 8 3.856 7.118 5.687 1.00 0.00 C HETATM 264 N6 XAE A 8 3.184 6.265 6.456 1.00 0.00 N HETATM 265 N1 XAE A 8 3.168 7.931 4.879 1.00 0.00 N HETATM 266 C2 XAE A 8 3.857 8.775 4.111 1.00 0.00 C HETATM 267 N3 XAE A 8 5.185 8.948 4.011 1.00 0.00 N HETATM 268 C10 XAE A 8 8.044 7.365 5.656 1.00 0.00 C HETATM 269 C11 XAE A 8 7.450 6.437 6.510 1.00 0.00 C HETATM 270 CP XAE A 8 6.052 6.338 6.537 1.00 0.00 C HETATM 271 CD XAE A 8 7.286 8.209 4.817 1.00 0.00 C HETATM 272 O3' XAE A 8 12.608 9.605 4.470 1.00 0.00 O HETATM 0 HN62 XAE A 8 2.165 6.245 6.426 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.688 5.631 7.076 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 12.221 5.198 3.520 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 13.828 5.878 3.363 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.926 7.184 6.658 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.679 8.916 6.742 1.00 0.00 H new HETATM 0 HP XAE A 8 5.564 5.621 7.197 1.00 0.00 H new HETATM 0 HD XAE A 8 7.782 8.924 4.161 1.00 0.00 H new HETATM 0 H8 XAE A 8 10.509 5.876 7.199 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.634 7.706 2.906 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.801 8.114 5.301 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.254 9.419 3.470 1.00 0.00 H new HETATM 0 H1' XAE A 8 10.042 8.915 5.015 1.00 0.00 H new HETATM 286 P XGA A 9 13.748 10.722 4.700 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.747 10.592 3.616 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.181 10.659 6.113 1.00 0.00 O HETATM 289 C5' XGA A 9 12.077 12.272 3.353 1.00 0.00 C HETATM 290 O5' XGA A 9 12.941 12.100 4.482 1.00 0.00 O HETATM 291 C4' XGA A 9 10.915 13.212 3.665 1.00 0.00 C HETATM 292 O4' XGA A 9 9.849 12.450 4.260 1.00 0.00 O HETATM 293 C3' XGA A 9 11.227 14.311 4.682 1.00 0.00 C HETATM 294 C2' XGA A 9 10.764 13.721 6.002 1.00 0.00 C HETATM 295 C1' XGA A 9 9.525 12.955 5.563 1.00 0.00 C HETATM 296 N9 XGA A 9 9.177 11.862 6.451 1.00 0.00 N HETATM 297 C8 XGA A 9 10.045 10.953 6.995 1.00 0.00 C HETATM 298 N7 XGA A 9 9.432 10.087 7.767 1.00 0.00 N HETATM 299 C4 XGA A 9 5.539 11.557 7.341 1.00 0.00 C HETATM 300 C5 XGA A 9 5.712 10.433 8.177 1.00 0.00 C HETATM 301 N3 XGA A 9 4.342 12.115 7.131 1.00 0.00 N HETATM 302 C2 XGA A 9 3.281 11.555 7.756 1.00 0.00 C HETATM 303 N2 XGA A 9 2.063 12.109 7.551 1.00 0.00 N HETATM 304 N1 XGA A 9 3.359 10.482 8.570 1.00 0.00 N HETATM 305 C6 XGA A 9 4.586 9.889 8.801 1.00 0.00 C HETATM 306 O6 XGA A 9 4.670 8.908 9.540 1.00 0.00 O HETATM 307 C10 XGA A 9 7.913 11.557 6.911 1.00 0.00 C HETATM 308 C11 XGA A 9 8.111 10.445 7.729 1.00 0.00 C HETATM 309 CP XGA A 9 7.003 9.870 8.372 1.00 0.00 C HETATM 310 CD XGA A 9 6.642 12.124 6.708 1.00 0.00 C HETATM 311 O3' XGA A 9 10.355 15.409 4.389 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.240 11.714 8.006 1.00 0.00 H new HETATM 0 HN21 XGA A 9 1.968 12.922 6.942 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 12.650 12.668 2.514 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 11.687 11.303 3.043 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.515 13.069 6.447 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 10.533 14.491 6.739 1.00 0.00 H new HETATM 0 HP XGA A 9 7.132 8.999 9.015 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.518 10.111 9.012 1.00 0.00 H new HETATM 0 HD XGA A 9 6.522 12.995 6.064 1.00 0.00 H new HETATM 0 H8 XGA A 9 11.119 10.949 6.809 1.00 0.00 H new HETATM 0 H4' XGA A 9 10.670 13.678 2.711 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.270 14.629 4.682 1.00 0.00 H new HETATM 0 H1' XGA A 9 8.654 13.610 5.571 1.00 0.00 H new ATOM 325 P DT A 10 10.718 16.910 4.856 1.00 0.00 P ATOM 326 OP1 DT A 10 10.597 17.801 3.680 1.00 0.00 O ATOM 327 OP2 DT A 10 11.984 16.868 5.623 1.00 0.00 O ATOM 328 O5' DT A 10 9.519 17.259 5.878 1.00 0.00 O ATOM 329 C5' DT A 10 8.397 16.380 6.014 1.00 0.00 C ATOM 330 C4' DT A 10 7.269 17.008 6.829 1.00 0.00 C ATOM 331 O4' DT A 10 6.571 15.967 7.530 1.00 0.00 O ATOM 332 C3' DT A 10 7.722 17.996 7.907 1.00 0.00 C ATOM 333 O3' DT A 10 6.734 19.012 8.102 1.00 0.00 O ATOM 334 C2' DT A 10 7.827 17.110 9.142 1.00 0.00 C ATOM 335 C1' DT A 10 6.654 16.159 8.944 1.00 0.00 C ATOM 336 N1 DT A 10 6.854 14.841 9.595 1.00 0.00 N ATOM 337 C2 DT A 10 5.777 14.292 10.273 1.00 0.00 C ATOM 338 O2 DT A 10 4.684 14.853 10.348 1.00 0.00 O ATOM 339 N3 DT A 10 5.996 13.064 10.870 1.00 0.00 N ATOM 340 C4 DT A 10 7.178 12.348 10.852 1.00 0.00 C ATOM 341 O4 DT A 10 7.253 11.261 11.420 1.00 0.00 O ATOM 342 C5 DT A 10 8.247 12.992 10.125 1.00 0.00 C ATOM 343 C7 DT A 10 9.612 12.316 10.038 1.00 0.00 C ATOM 344 C6 DT A 10 8.061 14.189 9.530 1.00 0.00 C ATOM 0 H5' DT A 10 8.718 15.455 6.493 1.00 0.00 H new ATOM 0 H5'' DT A 10 8.024 16.114 5.025 1.00 0.00 H new ATOM 0 H4' DT A 10 6.664 17.550 6.102 1.00 0.00 H new ATOM 0 H3' DT A 10 8.648 18.517 7.662 1.00 0.00 H new ATOM 0 H2' DT A 10 8.779 16.581 9.186 1.00 0.00 H new ATOM 0 H2'' DT A 10 7.738 17.683 10.065 1.00 0.00 H new ATOM 0 HO3' DT A 10 7.038 19.635 8.795 1.00 0.00 H new ATOM 0 H1' DT A 10 5.754 16.582 9.391 1.00 0.00 H new ATOM 0 H3 DT A 10 5.211 12.647 11.371 1.00 0.00 H new ATOM 0 H71 DT A 10 10.096 12.593 9.102 1.00 0.00 H new ATOM 0 H72 DT A 10 10.231 12.637 10.876 1.00 0.00 H new ATOM 0 H73 DT A 10 9.485 11.234 10.074 1.00 0.00 H new ATOM 0 H6 DT A 10 8.879 14.644 8.991 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -2.990 4.999 16.600 1.00 0.00 C HETATM 360 C4' XAE B 11 -3.352 6.327 15.937 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.215 7.201 15.993 1.00 0.00 O HETATM 362 C3' XAE B 11 -3.707 6.228 14.458 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.396 6.514 13.743 1.00 0.00 C HETATM 364 C1' XAE B 11 -1.728 7.513 14.680 1.00 0.00 C HETATM 365 O5' XAE B 11 -3.302 3.884 15.760 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.278 7.429 14.661 1.00 0.00 N HETATM 367 C8 XAE B 11 0.483 6.430 15.213 1.00 0.00 C HETATM 368 N7 XAE B 11 1.767 6.630 15.033 1.00 0.00 N HETATM 369 C5 XAE B 11 2.812 9.715 13.166 1.00 0.00 C HETATM 370 C4 XAE B 11 1.525 10.240 12.919 1.00 0.00 C HETATM 371 C6 XAE B 11 3.928 10.456 12.676 1.00 0.00 C HETATM 372 N6 XAE B 11 5.184 10.051 12.862 1.00 0.00 N HETATM 373 N1 XAE B 11 3.716 11.597 12.014 1.00 0.00 N HETATM 374 C2 XAE B 11 2.454 11.994 11.841 1.00 0.00 C HETATM 375 N3 XAE B 11 1.315 11.409 12.240 1.00 0.00 N HETATM 376 C10 XAE B 11 0.586 8.338 14.084 1.00 0.00 C HETATM 377 C11 XAE B 11 1.852 7.805 14.337 1.00 0.00 C HETATM 378 CP XAE B 11 2.982 8.497 13.875 1.00 0.00 C HETATM 379 CD XAE B 11 0.404 9.546 13.382 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.592 7.314 14.165 1.00 0.00 O HETATM 0 HN62 XAE B 11 5.958 10.606 12.498 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.371 9.186 13.369 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -1.926 4.989 16.837 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -3.528 4.905 17.543 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -1.797 5.612 13.615 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.557 6.933 12.750 1.00 0.00 H new HETATM 0 HP XAE B 11 3.981 8.103 14.059 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.599 9.934 13.202 1.00 0.00 H new HETATM 0 H8 XAE B 11 0.069 5.570 15.740 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.226 6.684 16.483 1.00 0.00 H new HETATM 0 H3' XAE B 11 -4.156 5.275 14.180 1.00 0.00 H new HETATM 0 H2 XAE B 11 2.331 12.930 11.296 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.969 8.529 14.367 1.00 0.00 H new ATOM 395 P DC B 12 -5.620 7.230 12.926 1.00 0.00 P ATOM 396 OP1 DC B 12 -5.655 5.830 12.442 1.00 0.00 O ATOM 397 OP2 DC B 12 -6.878 7.904 13.321 1.00 0.00 O ATOM 398 O5' DC B 12 -4.892 8.130 11.806 1.00 0.00 O ATOM 399 C5' DC B 12 -4.845 9.555 11.933 1.00 0.00 C ATOM 400 C4' DC B 12 -4.473 10.227 10.614 1.00 0.00 C ATOM 401 O4' DC B 12 -3.043 10.340 10.532 1.00 0.00 O ATOM 402 C3' DC B 12 -4.892 9.455 9.363 1.00 0.00 C ATOM 403 O3' DC B 12 -5.186 10.426 8.353 1.00 0.00 O ATOM 404 C2' DC B 12 -3.623 8.736 8.930 1.00 0.00 C ATOM 405 C1' DC B 12 -2.552 9.739 9.330 1.00 0.00 C ATOM 406 N1 DC B 12 -1.243 9.104 9.612 1.00 0.00 N ATOM 407 C2 DC B 12 -0.146 9.531 8.877 1.00 0.00 C ATOM 408 O2 DC B 12 -0.274 10.391 8.007 1.00 0.00 O ATOM 409 N3 DC B 12 1.070 8.976 9.139 1.00 0.00 N ATOM 410 C4 DC B 12 1.208 8.039 10.083 1.00 0.00 C ATOM 411 N4 DC B 12 2.428 7.549 10.301 1.00 0.00 N ATOM 412 C5 DC B 12 0.082 7.590 10.842 1.00 0.00 C ATOM 413 C6 DC B 12 -1.116 8.146 10.577 1.00 0.00 C ATOM 0 H5' DC B 12 -4.119 9.828 12.698 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.815 9.923 12.268 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.999 11.182 10.626 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.739 8.788 9.524 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.500 7.780 9.439 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.613 8.531 7.860 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.378 10.445 8.518 1.00 0.00 H new ATOM 0 H41 DC B 12 2.570 6.833 11.013 1.00 0.00 H new ATOM 0 H42 DC B 12 3.219 7.890 9.755 1.00 0.00 H new ATOM 0 H5 DC B 12 0.189 6.830 11.602 1.00 0.00 H new ATOM 0 H6 DC B 12 -1.986 7.831 11.134 1.00 0.00 H new ATOM 425 P DT B 13 -6.462 10.249 7.386 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.480 11.250 7.777 1.00 0.00 O ATOM 427 OP2 DT B 13 -6.819 8.814 7.340 1.00 0.00 O ATOM 428 O5' DT B 13 -5.872 10.666 5.947 1.00 0.00 O ATOM 429 C5' DT B 13 -5.116 11.871 5.788 1.00 0.00 C ATOM 430 C4' DT B 13 -4.221 11.815 4.553 1.00 0.00 C ATOM 431 O4' DT B 13 -2.956 11.233 4.915 1.00 0.00 O ATOM 432 C3' DT B 13 -4.757 10.945 3.414 1.00 0.00 C ATOM 433 O3' DT B 13 -4.352 11.560 2.186 1.00 0.00 O ATOM 434 C2' DT B 13 -3.975 9.648 3.542 1.00 0.00 C ATOM 435 C1' DT B 13 -2.627 10.162 4.028 1.00 0.00 C ATOM 436 N1 DT B 13 -1.831 9.148 4.764 1.00 0.00 N ATOM 437 C2 DT B 13 -0.450 9.191 4.619 1.00 0.00 C ATOM 438 O2 DT B 13 0.116 10.023 3.911 1.00 0.00 O ATOM 439 N3 DT B 13 0.265 8.236 5.317 1.00 0.00 N ATOM 440 C4 DT B 13 -0.267 7.257 6.135 1.00 0.00 C ATOM 441 O4 DT B 13 0.472 6.464 6.713 1.00 0.00 O ATOM 442 C5 DT B 13 -1.705 7.282 6.228 1.00 0.00 C ATOM 443 C7 DT B 13 -2.418 6.240 7.088 1.00 0.00 C ATOM 444 C6 DT B 13 -2.430 8.202 5.561 1.00 0.00 C ATOM 0 H5' DT B 13 -4.504 12.036 6.674 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.796 12.719 5.707 1.00 0.00 H new ATOM 0 H4' DT B 13 -4.158 12.846 4.205 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.838 10.809 3.441 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.433 8.960 4.252 1.00 0.00 H new ATOM 0 H2'' DT B 13 -3.896 9.120 2.592 1.00 0.00 H new ATOM 0 H1' DT B 13 -2.009 10.451 3.178 1.00 0.00 H new ATOM 0 H3 DT B 13 1.280 8.256 5.219 1.00 0.00 H new ATOM 0 H71 DT B 13 -3.341 6.664 7.483 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.651 5.365 6.481 1.00 0.00 H new ATOM 0 H73 DT B 13 -1.771 5.946 7.915 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.506 8.196 5.655 1.00 0.00 H new HETATM 457 P XGA B 14 -5.252 11.414 0.858 1.00 0.00 P HETATM 458 OP1 XGA B 14 -5.985 12.683 0.653 1.00 0.00 O HETATM 459 OP2 XGA B 14 -5.997 10.138 0.938 1.00 0.00 O HETATM 460 C5' XGA B 14 -2.985 12.112 -0.320 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.148 11.276 -0.306 1.00 0.00 O HETATM 462 C4' XGA B 14 -1.877 11.518 -1.187 1.00 0.00 C HETATM 463 O4' XGA B 14 -1.081 10.630 -0.382 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.366 10.656 -2.347 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.409 9.262 -1.746 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.157 9.285 -0.876 1.00 0.00 C HETATM 467 N9 XGA B 14 -1.197 8.347 0.233 1.00 0.00 N HETATM 468 C8 XGA B 14 -2.314 7.948 0.920 1.00 0.00 C HETATM 469 N7 XGA B 14 -2.028 7.097 1.877 1.00 0.00 N HETATM 470 C4 XGA B 14 2.114 6.906 1.306 1.00 0.00 C HETATM 471 C5 XGA B 14 1.568 6.123 2.344 1.00 0.00 C HETATM 472 N3 XGA B 14 3.427 6.920 1.035 1.00 0.00 N HETATM 473 C2 XGA B 14 4.224 6.141 1.806 1.00 0.00 C HETATM 474 N2 XGA B 14 5.554 6.138 1.545 1.00 0.00 N HETATM 475 N1 XGA B 14 3.780 5.364 2.814 1.00 0.00 N HETATM 476 C6 XGA B 14 2.429 5.338 3.110 1.00 0.00 C HETATM 477 O6 XGA B 14 2.009 4.634 4.026 1.00 0.00 O HETATM 478 C10 XGA B 14 -0.112 7.701 0.793 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.671 6.932 1.814 1.00 0.00 C HETATM 480 CP XGA B 14 0.170 6.132 2.600 1.00 0.00 C HETATM 481 CD XGA B 14 1.272 7.701 0.524 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.331 10.657 -3.338 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.183 5.563 2.106 1.00 0.00 H new HETATM 0 HN21 XGA B 14 5.926 6.711 0.788 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -3.251 13.100 -0.695 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.619 12.245 0.698 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.314 9.092 -1.163 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.369 8.483 -2.507 1.00 0.00 H new HETATM 0 HP XGA B 14 -0.245 5.521 3.402 1.00 0.00 H new HETATM 0 HN1 XGA B 14 4.435 4.799 3.354 1.00 0.00 H new HETATM 0 HD XGA B 14 1.679 8.312 -0.282 1.00 0.00 H new HETATM 0 H8 XGA B 14 -3.322 8.297 0.697 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.342 12.380 -1.586 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.311 10.984 -2.780 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.289 8.983 -1.462 1.00 0.00 H new ATOM 496 P DC B 15 -1.662 10.354 -4.888 1.00 0.00 P ATOM 497 OP1 DC B 15 -0.941 11.347 -5.715 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.127 10.199 -5.032 1.00 0.00 O ATOM 499 O5' DC B 15 -0.976 8.912 -5.123 1.00 0.00 O ATOM 500 C5' DC B 15 -0.117 8.338 -4.130 1.00 0.00 C ATOM 501 C4' DC B 15 0.749 7.218 -4.696 1.00 0.00 C ATOM 502 O4' DC B 15 0.965 6.239 -3.671 1.00 0.00 O ATOM 503 C3' DC B 15 0.129 6.438 -5.848 1.00 0.00 C ATOM 504 O3' DC B 15 1.212 5.832 -6.556 1.00 0.00 O ATOM 505 C2' DC B 15 -0.629 5.323 -5.148 1.00 0.00 C ATOM 506 C1' DC B 15 0.314 4.999 -3.994 1.00 0.00 C ATOM 507 N1 DC B 15 -0.388 4.504 -2.789 1.00 0.00 N ATOM 508 C2 DC B 15 0.103 3.352 -2.191 1.00 0.00 C ATOM 509 O2 DC B 15 1.071 2.766 -2.672 1.00 0.00 O ATOM 510 N3 DC B 15 -0.501 2.895 -1.062 1.00 0.00 N ATOM 511 C4 DC B 15 -1.545 3.544 -0.531 1.00 0.00 C ATOM 512 N4 DC B 15 -2.063 3.063 0.600 1.00 0.00 N ATOM 513 C5 DC B 15 -2.063 4.728 -1.142 1.00 0.00 C ATOM 514 C6 DC B 15 -1.458 5.172 -2.262 1.00 0.00 C ATOM 0 H5' DC B 15 -0.721 7.949 -3.310 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.524 9.115 -3.713 1.00 0.00 H new ATOM 0 H4' DC B 15 1.647 7.720 -5.055 1.00 0.00 H new ATOM 0 H3' DC B 15 -0.489 7.037 -6.517 1.00 0.00 H new ATOM 0 H2' DC B 15 -1.609 5.648 -4.799 1.00 0.00 H new ATOM 0 H2'' DC B 15 -0.791 4.464 -5.800 1.00 0.00 H new ATOM 0 H1' DC B 15 0.999 4.206 -4.296 1.00 0.00 H new ATOM 0 H41 DC B 15 -2.859 3.529 1.035 1.00 0.00 H new ATOM 0 H42 DC B 15 -1.663 2.229 1.030 1.00 0.00 H new ATOM 0 H5 DC B 15 -2.910 5.249 -0.721 1.00 0.00 H new ATOM 0 H6 DC B 15 -1.823 6.065 -2.748 1.00 0.00 H new ATOM 526 P DG B 16 1.070 5.418 -8.106 1.00 0.00 P ATOM 527 OP1 DG B 16 1.684 6.486 -8.928 1.00 0.00 O ATOM 528 OP2 DG B 16 -0.330 5.008 -8.355 1.00 0.00 O ATOM 529 O5' DG B 16 2.004 4.109 -8.203 1.00 0.00 O ATOM 530 C5' DG B 16 2.918 3.782 -7.148 1.00 0.00 C ATOM 531 C4' DG B 16 3.204 2.285 -7.084 1.00 0.00 C ATOM 532 O4' DG B 16 2.652 1.756 -5.868 1.00 0.00 O ATOM 533 C3' DG B 16 2.573 1.459 -8.206 1.00 0.00 C ATOM 534 O3' DG B 16 3.461 0.365 -8.459 1.00 0.00 O ATOM 535 C2' DG B 16 1.318 0.871 -7.577 1.00 0.00 C ATOM 536 C1' DG B 16 1.770 0.663 -6.140 1.00 0.00 C ATOM 537 N9 DG B 16 0.659 0.699 -5.167 1.00 0.00 N ATOM 538 C8 DG B 16 -0.502 1.429 -5.208 1.00 0.00 C ATOM 539 N7 DG B 16 -1.267 1.255 -4.166 1.00 0.00 N ATOM 540 C5 DG B 16 -0.566 0.347 -3.382 1.00 0.00 C ATOM 541 C6 DG B 16 -0.901 -0.221 -2.122 1.00 0.00 C ATOM 542 O6 DG B 16 -1.900 -0.018 -1.437 1.00 0.00 O ATOM 543 N1 DG B 16 0.081 -1.092 -1.678 1.00 0.00 N ATOM 544 C2 DG B 16 1.243 -1.385 -2.355 1.00 0.00 C ATOM 545 N2 DG B 16 2.083 -2.245 -1.778 1.00 0.00 N ATOM 546 N3 DG B 16 1.567 -0.858 -3.537 1.00 0.00 N ATOM 547 C4 DG B 16 0.617 -0.003 -3.988 1.00 0.00 C ATOM 0 H5' DG B 16 2.505 4.113 -6.195 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.852 4.324 -7.297 1.00 0.00 H new ATOM 0 H4' DG B 16 4.288 2.205 -7.162 1.00 0.00 H new ATOM 0 H3' DG B 16 2.378 2.030 -9.114 1.00 0.00 H new ATOM 0 H2' DG B 16 0.468 1.550 -7.646 1.00 0.00 H new ATOM 0 H2'' DG B 16 1.019 -0.063 -8.053 1.00 0.00 H new ATOM 0 H1' DG B 16 2.230 -0.320 -6.038 1.00 0.00 H new ATOM 0 H8 DG B 16 -0.758 2.086 -6.026 1.00 0.00 H new ATOM 0 H1 DG B 16 -0.069 -1.552 -0.780 1.00 0.00 H new ATOM 0 H21 DG B 16 2.957 -2.493 -2.242 1.00 0.00 H new ATOM 0 H22 DG B 16 1.851 -2.655 -0.873 1.00 0.00 H new HETATM 559 P XTY B 17 4.215 0.222 -9.874 1.00 0.00 P HETATM 560 OP1 XTY B 17 3.388 0.877 -10.912 1.00 0.00 O HETATM 561 OP2 XTY B 17 5.627 0.628 -9.690 1.00 0.00 O HETATM 562 C5' XTY B 17 4.049 -2.282 -9.033 1.00 0.00 C HETATM 563 C4' XTY B 17 3.296 -3.547 -9.436 1.00 0.00 C HETATM 564 O4' XTY B 17 2.225 -3.765 -8.505 1.00 0.00 O HETATM 565 C3' XTY B 17 2.626 -3.482 -10.803 1.00 0.00 C HETATM 566 C2' XTY B 17 1.214 -3.021 -10.484 1.00 0.00 C HETATM 567 C1' XTY B 17 0.944 -3.732 -9.157 1.00 0.00 C HETATM 568 O5' XTY B 17 4.175 -1.367 -10.129 1.00 0.00 O HETATM 569 C2 XTY B 17 0.595 -4.767 -5.162 1.00 0.00 C HETATM 570 O2 XTY B 17 1.233 -5.714 -4.706 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.251 -4.030 -4.357 1.00 0.00 N HETATM 572 C4 XTY B 17 -1.006 -2.960 -4.783 1.00 0.00 C HETATM 573 O4 XTY B 17 -1.737 -2.361 -4.000 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.910 -2.589 -6.127 1.00 0.00 C HETATM 575 C6 XTY B 17 -0.051 -3.324 -6.980 1.00 0.00 C HETATM 576 N XTY B 17 0.696 -4.405 -6.505 1.00 0.00 N HETATM 577 CP XTY B 17 -1.659 -1.499 -6.621 1.00 0.00 C HETATM 578 CD XTY B 17 -0.694 -1.874 -8.819 1.00 0.00 C HETATM 579 C8 XTY B 17 0.070 -2.975 -8.342 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.546 -1.148 -7.965 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.351 0.027 -8.510 1.00 0.00 C HETATM 582 O3' XTY B 17 2.540 -4.822 -11.297 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.415 -0.167 -8.375 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.077 0.936 -7.974 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -2.137 0.153 -9.571 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 3.526 -1.794 -8.210 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 5.040 -2.550 -8.667 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 1.150 -1.937 -10.387 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 0.504 -3.315 -11.257 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.318 -0.938 -5.959 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.322 -4.298 -3.375 1.00 0.00 H new HETATM 0 HN XTY B 17 1.309 -4.924 -7.134 1.00 0.00 H new HETATM 0 HD XTY B 17 -0.618 -1.586 -9.868 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.052 -4.332 -9.453 1.00 0.00 H new HETATM 0 H3' XTY B 17 3.144 -2.846 -11.521 1.00 0.00 H new HETATM 0 H1' XTY B 17 0.493 -4.711 -9.319 1.00 0.00 H new ATOM 597 P DA B 18 3.612 -5.369 -12.368 1.00 0.00 P ATOM 598 OP1 DA B 18 4.865 -4.593 -12.214 1.00 0.00 O ATOM 599 OP2 DA B 18 2.950 -5.443 -13.689 1.00 0.00 O ATOM 600 O5' DA B 18 3.885 -6.872 -11.859 1.00 0.00 O ATOM 601 C5' DA B 18 4.738 -7.126 -10.738 1.00 0.00 C ATOM 602 C4' DA B 18 4.470 -8.500 -10.130 1.00 0.00 C ATOM 603 O4' DA B 18 3.449 -8.369 -9.133 1.00 0.00 O ATOM 604 C3' DA B 18 3.945 -9.536 -11.118 1.00 0.00 C ATOM 605 O3' DA B 18 4.349 -10.825 -10.649 1.00 0.00 O ATOM 606 C2' DA B 18 2.434 -9.458 -10.969 1.00 0.00 C ATOM 607 C1' DA B 18 2.265 -9.087 -9.498 1.00 0.00 C ATOM 608 N9 DA B 18 1.098 -8.207 -9.272 1.00 0.00 N ATOM 609 C8 DA B 18 0.515 -7.311 -10.136 1.00 0.00 C ATOM 610 N7 DA B 18 -0.510 -6.687 -9.630 1.00 0.00 N ATOM 611 C5 DA B 18 -0.613 -7.203 -8.345 1.00 0.00 C ATOM 612 C6 DA B 18 -1.503 -6.950 -7.292 1.00 0.00 C ATOM 613 N6 DA B 18 -2.503 -6.073 -7.373 1.00 0.00 N ATOM 614 N1 DA B 18 -1.329 -7.631 -6.149 1.00 0.00 N ATOM 615 C2 DA B 18 -0.334 -8.506 -6.063 1.00 0.00 C ATOM 616 N3 DA B 18 0.566 -8.835 -6.978 1.00 0.00 N ATOM 617 C4 DA B 18 0.362 -8.131 -8.112 1.00 0.00 C ATOM 0 H5' DA B 18 4.585 -6.356 -9.982 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.780 -7.063 -11.051 1.00 0.00 H new ATOM 0 H4' DA B 18 5.432 -8.841 -9.747 1.00 0.00 H new ATOM 0 H3' DA B 18 4.294 -9.374 -12.138 1.00 0.00 H new ATOM 0 H2' DA B 18 1.999 -8.707 -11.629 1.00 0.00 H new ATOM 0 H2'' DA B 18 1.953 -10.407 -11.206 1.00 0.00 H new ATOM 0 H1' DA B 18 2.108 -9.991 -8.909 1.00 0.00 H new ATOM 0 H8 DA B 18 0.873 -7.140 -11.140 1.00 0.00 H new ATOM 0 H61 DA B 18 -3.121 -5.929 -6.574 1.00 0.00 H new ATOM 0 H62 DA B 18 -2.650 -5.546 -8.234 1.00 0.00 H new ATOM 0 H2 DA B 18 -0.246 -9.020 -5.117 1.00 0.00 H new HETATM 629 P XCS B 19 4.796 -11.968 -11.695 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.265 -12.118 -11.615 1.00 0.00 O HETATM 631 C6 XCS B 19 -1.097 -12.183 -9.772 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.505 -12.313 -7.825 1.00 0.00 C HETATM 633 O2 XCS B 19 -2.813 -12.887 -6.784 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.173 -11.188 -8.237 1.00 0.00 N HETATM 635 C4 XCS B 19 -2.840 -10.553 -9.376 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.534 -9.465 -9.710 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.774 -11.035 -10.196 1.00 0.00 C HETATM 638 OP1 XCS B 19 4.154 -11.682 -12.998 1.00 0.00 O HETATM 639 O5' XCS B 19 4.119 -13.298 -11.088 1.00 0.00 O HETATM 640 C5' XCS B 19 4.026 -13.496 -9.673 1.00 0.00 C HETATM 641 C4' XCS B 19 2.809 -14.338 -9.302 1.00 0.00 C HETATM 642 O4' XCS B 19 1.667 -13.471 -9.170 1.00 0.00 O HETATM 643 C1' XCS B 19 0.615 -13.879 -10.055 1.00 0.00 C HETATM 644 ND XCS B 19 -1.456 -12.819 -8.596 1.00 0.00 N HETATM 645 CP XCS B 19 -1.417 -10.377 -11.391 1.00 0.00 C HETATM 646 CD XCS B 19 0.318 -12.042 -11.740 1.00 0.00 C HETATM 647 C8 XCS B 19 -0.033 -12.714 -10.535 1.00 0.00 C HETATM 648 C7 XCS B 19 -0.370 -10.886 -12.159 1.00 0.00 C HETATM 649 C7A XCS B 19 0.031 -10.188 -13.455 1.00 0.00 C HETATM 650 C2' XCS B 19 1.348 -14.630 -11.163 1.00 0.00 C HETATM 651 C3' XCS B 19 2.393 -15.370 -10.349 1.00 0.00 C HETATM 652 O3' XCS B 19 1.715 -16.424 -9.654 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.308 -8.959 -10.567 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.291 -9.138 -9.109 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.817 -10.176 -14.139 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.336 -9.164 -13.238 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 0.861 -10.724 -13.915 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 4.931 -13.986 -9.313 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 3.966 -12.529 -9.173 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 0.692 -15.307 -11.709 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 1.793 -13.957 -11.896 1.00 0.00 H new HETATM 0 HP XCS B 19 -1.952 -9.483 -11.710 1.00 0.00 H new HETATM 0 HND XCS B 19 -0.956 -13.655 -8.293 1.00 0.00 H new HETATM 0 HD XCS B 19 1.134 -12.429 -12.350 1.00 0.00 H new HETATM 0 H4' XCS B 19 3.101 -14.859 -8.390 1.00 0.00 H new HETATM 0 H3' XCS B 19 3.220 -15.767 -10.938 1.00 0.00 H new HETATM 0 H1' XCS B 19 -0.154 -14.504 -9.600 1.00 0.00 H new ATOM 668 P DA B 20 1.633 -17.912 -10.272 1.00 0.00 P ATOM 669 OP1 DA B 20 2.472 -17.959 -11.492 1.00 0.00 O ATOM 670 OP2 DA B 20 1.872 -18.879 -9.177 1.00 0.00 O ATOM 671 O5' DA B 20 0.087 -18.032 -10.719 1.00 0.00 O ATOM 672 C5' DA B 20 -0.913 -17.178 -10.151 1.00 0.00 C ATOM 673 C4' DA B 20 -2.320 -17.584 -10.583 1.00 0.00 C ATOM 674 O4' DA B 20 -3.142 -16.407 -10.660 1.00 0.00 O ATOM 675 C3' DA B 20 -2.406 -18.234 -11.968 1.00 0.00 C ATOM 676 O3' DA B 20 -3.457 -19.203 -12.001 1.00 0.00 O ATOM 677 C2' DA B 20 -2.743 -17.050 -12.865 1.00 0.00 C ATOM 678 C1' DA B 20 -3.679 -16.253 -11.975 1.00 0.00 C ATOM 679 N9 DA B 20 -3.710 -14.817 -12.317 1.00 0.00 N ATOM 680 C8 DA B 20 -2.674 -13.916 -12.348 1.00 0.00 C ATOM 681 N7 DA B 20 -3.040 -12.710 -12.682 1.00 0.00 N ATOM 682 C5 DA B 20 -4.410 -12.822 -12.887 1.00 0.00 C ATOM 683 C6 DA B 20 -5.395 -11.895 -13.262 1.00 0.00 C ATOM 684 N6 DA B 20 -5.140 -10.609 -13.509 1.00 0.00 N ATOM 685 N1 DA B 20 -6.658 -12.335 -13.375 1.00 0.00 N ATOM 686 C2 DA B 20 -6.921 -13.614 -13.131 1.00 0.00 C ATOM 687 N3 DA B 20 -6.089 -14.580 -12.773 1.00 0.00 N ATOM 688 C4 DA B 20 -4.830 -14.102 -12.668 1.00 0.00 C ATOM 0 H5' DA B 20 -0.724 -16.148 -10.452 1.00 0.00 H new ATOM 0 H5'' DA B 20 -0.843 -17.211 -9.064 1.00 0.00 H new ATOM 0 H4' DA B 20 -2.644 -18.312 -9.839 1.00 0.00 H new ATOM 0 H3' DA B 20 -1.499 -18.762 -12.262 1.00 0.00 H new ATOM 0 H2' DA B 20 -1.856 -16.480 -13.142 1.00 0.00 H new ATOM 0 H2'' DA B 20 -3.224 -17.362 -13.792 1.00 0.00 H new ATOM 0 HO3' DA B 20 -3.501 -19.608 -12.892 1.00 0.00 H new ATOM 0 H1' DA B 20 -4.703 -16.611 -12.083 1.00 0.00 H new ATOM 0 H8 DA B 20 -1.653 -14.181 -12.118 1.00 0.00 H new ATOM 0 H61 DA B 20 -5.898 -9.981 -13.778 1.00 0.00 H new ATOM 0 H62 DA B 20 -4.187 -10.253 -13.429 1.00 0.00 H new ATOM 0 H2 DA B 20 -7.955 -13.906 -13.239 1.00 0.00 H new TER 701 DA B 20