USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=3 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= -0.588 (180deg=-0.588) USER MOD Single : A 10 DT O3' : rot 180:sc= 0 USER MOD Single : B 13 DT C7 :methyl -30:sc= -1.53 (180deg=-2.42!) USER MOD Single : B 20 DA O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C5' XTY A 1 -11.997 -13.150 -11.232 1.00 0.00 C HETATM 2 C4' XTY A 1 -11.281 -12.438 -10.086 1.00 0.00 C HETATM 3 O4' XTY A 1 -9.936 -12.152 -10.489 1.00 0.00 O HETATM 4 C3' XTY A 1 -11.885 -11.093 -9.689 1.00 0.00 C HETATM 5 C2' XTY A 1 -10.949 -10.060 -10.299 1.00 0.00 C HETATM 6 C1' XTY A 1 -9.601 -10.777 -10.265 1.00 0.00 C HETATM 7 O5' XTY A 1 -13.366 -12.752 -11.330 1.00 0.00 O HETATM 8 C2 XTY A 1 -6.827 -13.406 -11.934 1.00 0.00 C HETATM 9 O2 XTY A 1 -6.726 -14.553 -11.503 1.00 0.00 O HETATM 10 N3 XTY A 1 -6.030 -12.961 -12.974 1.00 0.00 N HETATM 11 C4 XTY A 1 -6.080 -11.692 -13.512 1.00 0.00 C HETATM 12 O4 XTY A 1 -5.336 -11.376 -14.440 1.00 0.00 O HETATM 13 C5 XTY A 1 -7.003 -10.791 -12.969 1.00 0.00 C HETATM 14 C6 XTY A 1 -7.833 -11.217 -11.902 1.00 0.00 C HETATM 15 N XTY A 1 -7.746 -12.512 -11.390 1.00 0.00 N HETATM 16 CP XTY A 1 -7.100 -9.476 -13.477 1.00 0.00 C HETATM 17 CD XTY A 1 -8.858 -9.013 -11.860 1.00 0.00 C HETATM 18 C8 XTY A 1 -8.779 -10.329 -11.332 1.00 0.00 C HETATM 19 C7 XTY A 1 -8.027 -8.595 -12.918 1.00 0.00 C HETATM 20 C7A XTY A 1 -8.138 -7.170 -13.453 1.00 0.00 C HETATM 21 O3' XTY A 1 -11.770 -10.984 -8.266 1.00 0.00 O HETATM 0 H7A3 XTY A 1 -7.182 -6.660 -13.332 1.00 0.00 H new HETATM 0 H7A2 XTY A 1 -8.403 -7.198 -14.510 1.00 0.00 H new HETATM 0 H7A1 XTY A 1 -8.908 -6.633 -12.900 1.00 0.00 H new HETATM 0 H5'2 XTY A 1 -11.487 -12.933 -12.170 1.00 0.00 H new HETATM 0 H5'1 XTY A 1 -11.942 -14.228 -11.082 1.00 0.00 H new HETATM 0 H2'2 XTY A 1 -11.243 -9.796 -11.315 1.00 0.00 H new HETATM 0 H2'1 XTY A 1 -10.932 -9.136 -9.721 1.00 0.00 H new HETATM 0 HP XTY A 1 -6.458 -9.153 -14.296 1.00 0.00 H new HETATM 0 HN3 XTY A 1 -5.358 -13.618 -13.371 1.00 0.00 H new HETATM 0 HN XTY A 1 -8.352 -12.802 -10.622 1.00 0.00 H new HETATM 0 HD XTY A 1 -9.577 -8.311 -11.438 1.00 0.00 H new HETATM 0 H4' XTY A 1 -11.363 -13.115 -9.236 1.00 0.00 H new HETATM 0 H3' XTY A 1 -12.921 -10.973 -10.005 1.00 0.00 H new HETATM 0 H1' XTY A 1 -9.063 -10.602 -9.333 1.00 0.00 H new ATOM 37 P DG A 2 -13.077 -11.108 -7.332 1.00 0.00 P ATOM 38 OP1 DG A 2 -13.894 -9.888 -7.519 1.00 0.00 O ATOM 39 OP2 DG A 2 -13.682 -12.441 -7.555 1.00 0.00 O ATOM 40 O5' DG A 2 -12.459 -11.074 -5.844 1.00 0.00 O ATOM 41 C5' DG A 2 -12.136 -12.287 -5.155 1.00 0.00 C ATOM 42 C4' DG A 2 -11.154 -12.042 -4.010 1.00 0.00 C ATOM 43 O4' DG A 2 -9.820 -12.074 -4.535 1.00 0.00 O ATOM 44 C3' DG A 2 -11.278 -10.679 -3.339 1.00 0.00 C ATOM 45 O3' DG A 2 -10.735 -10.804 -2.020 1.00 0.00 O ATOM 46 C2' DG A 2 -10.326 -9.802 -4.133 1.00 0.00 C ATOM 47 C1' DG A 2 -9.204 -10.779 -4.473 1.00 0.00 C ATOM 48 N9 DG A 2 -8.587 -10.488 -5.783 1.00 0.00 N ATOM 49 C8 DG A 2 -8.760 -9.387 -6.585 1.00 0.00 C ATOM 50 N7 DG A 2 -8.081 -9.435 -7.693 1.00 0.00 N ATOM 51 C5 DG A 2 -7.409 -10.647 -7.625 1.00 0.00 C ATOM 52 C6 DG A 2 -6.518 -11.239 -8.553 1.00 0.00 C ATOM 53 O6 DG A 2 -6.155 -10.800 -9.640 1.00 0.00 O ATOM 54 N1 DG A 2 -6.055 -12.465 -8.110 1.00 0.00 N ATOM 55 C2 DG A 2 -6.407 -13.057 -6.919 1.00 0.00 C ATOM 56 N2 DG A 2 -5.863 -14.245 -6.653 1.00 0.00 N ATOM 57 N3 DG A 2 -7.249 -12.511 -6.036 1.00 0.00 N ATOM 58 C4 DG A 2 -7.709 -11.306 -6.457 1.00 0.00 C ATOM 0 H5' DG A 2 -11.705 -13.001 -5.857 1.00 0.00 H new ATOM 0 H5'' DG A 2 -13.048 -12.737 -4.762 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.378 -12.816 -3.276 1.00 0.00 H new ATOM 0 H3' DG A 2 -12.299 -10.300 -3.300 1.00 0.00 H new ATOM 0 H2' DG A 2 -10.797 -9.394 -5.027 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.967 -8.956 -3.548 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.414 -10.710 -3.725 1.00 0.00 H new ATOM 0 H8 DG A 2 -9.400 -8.558 -6.320 1.00 0.00 H new ATOM 0 H1 DG A 2 -5.403 -12.968 -8.712 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.091 -14.727 -5.783 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.219 -14.672 -7.319 1.00 0.00 H new HETATM 70 P XTY A 3 -11.192 -9.801 -0.842 1.00 0.00 P HETATM 71 OP1 XTY A 3 -12.075 -10.547 0.082 1.00 0.00 O HETATM 72 OP2 XTY A 3 -11.666 -8.542 -1.460 1.00 0.00 O HETATM 73 C5' XTY A 3 -8.551 -9.642 -0.749 1.00 0.00 C HETATM 74 C4' XTY A 3 -7.462 -8.779 -0.117 1.00 0.00 C HETATM 75 O4' XTY A 3 -6.548 -8.367 -1.140 1.00 0.00 O HETATM 76 C3' XTY A 3 -7.955 -7.487 0.514 1.00 0.00 C HETATM 77 C2' XTY A 3 -7.839 -6.471 -0.610 1.00 0.00 C HETATM 78 C1' XTY A 3 -6.589 -6.945 -1.360 1.00 0.00 C HETATM 79 O5' XTY A 3 -9.806 -9.495 -0.077 1.00 0.00 O HETATM 80 C2 XTY A 3 -4.343 -9.251 -3.981 1.00 0.00 C HETATM 81 O2 XTY A 3 -3.572 -10.103 -3.545 1.00 0.00 O HETATM 82 N3 XTY A 3 -4.485 -9.045 -5.342 1.00 0.00 N HETATM 83 C4 XTY A 3 -5.328 -8.111 -5.909 1.00 0.00 C HETATM 84 O4 XTY A 3 -5.400 -7.992 -7.131 1.00 0.00 O HETATM 85 C5 XTY A 3 -6.094 -7.317 -5.047 1.00 0.00 C HETATM 86 C6 XTY A 3 -5.972 -7.507 -3.649 1.00 0.00 C HETATM 87 N XTY A 3 -5.105 -8.463 -3.120 1.00 0.00 N HETATM 88 CP XTY A 3 -6.975 -6.343 -5.568 1.00 0.00 C HETATM 89 CD XTY A 3 -7.609 -5.747 -3.297 1.00 0.00 C HETATM 90 C8 XTY A 3 -6.730 -6.722 -2.752 1.00 0.00 C HETATM 91 C7 XTY A 3 -7.726 -5.563 -4.688 1.00 0.00 C HETATM 92 C7A XTY A 3 -8.675 -4.500 -5.236 1.00 0.00 C HETATM 93 O3' XTY A 3 -7.003 -7.120 1.519 1.00 0.00 O HETATM 0 H7A3 XTY A 3 -8.109 -3.772 -5.818 1.00 0.00 H new HETATM 0 H7A2 XTY A 3 -9.422 -4.973 -5.874 1.00 0.00 H new HETATM 0 H7A1 XTY A 3 -9.172 -3.995 -4.408 1.00 0.00 H new HETATM 0 H5'2 XTY A 3 -8.667 -9.370 -1.798 1.00 0.00 H new HETATM 0 H5'1 XTY A 3 -8.246 -10.688 -0.723 1.00 0.00 H new HETATM 0 H2'2 XTY A 3 -8.721 -6.472 -1.250 1.00 0.00 H new HETATM 0 H2'1 XTY A 3 -7.723 -5.456 -0.229 1.00 0.00 H new HETATM 0 HP XTY A 3 -7.067 -6.203 -6.645 1.00 0.00 H new HETATM 0 HN3 XTY A 3 -3.928 -9.624 -5.970 1.00 0.00 H new HETATM 0 HN XTY A 3 -5.029 -8.585 -2.110 1.00 0.00 H new HETATM 0 HD XTY A 3 -8.204 -5.129 -2.625 1.00 0.00 H new HETATM 0 H4' XTY A 3 -7.025 -9.404 0.662 1.00 0.00 H new HETATM 0 H3' XTY A 3 -8.956 -7.557 0.940 1.00 0.00 H new HETATM 0 H1' XTY A 3 -5.697 -6.421 -1.017 1.00 0.00 H new ATOM 108 P DA A 4 -7.443 -7.025 3.066 1.00 0.00 P ATOM 109 OP1 DA A 4 -7.804 -5.619 3.356 1.00 0.00 O ATOM 110 OP2 DA A 4 -8.413 -8.108 3.342 1.00 0.00 O ATOM 111 O5' DA A 4 -6.075 -7.363 3.844 1.00 0.00 O ATOM 112 C5' DA A 4 -5.463 -8.653 3.731 1.00 0.00 C ATOM 113 C4' DA A 4 -3.952 -8.576 3.931 1.00 0.00 C ATOM 114 O4' DA A 4 -3.332 -8.306 2.667 1.00 0.00 O ATOM 115 C3' DA A 4 -3.490 -7.452 4.851 1.00 0.00 C ATOM 116 O3' DA A 4 -2.236 -7.850 5.414 1.00 0.00 O ATOM 117 C2' DA A 4 -3.207 -6.296 3.904 1.00 0.00 C ATOM 118 C1' DA A 4 -2.710 -7.015 2.653 1.00 0.00 C ATOM 119 N9 DA A 4 -3.111 -6.322 1.412 1.00 0.00 N ATOM 120 C8 DA A 4 -4.280 -5.653 1.144 1.00 0.00 C ATOM 121 N7 DA A 4 -4.334 -5.156 -0.059 1.00 0.00 N ATOM 122 C5 DA A 4 -3.119 -5.521 -0.625 1.00 0.00 C ATOM 123 C6 DA A 4 -2.558 -5.298 -1.890 1.00 0.00 C ATOM 124 N6 DA A 4 -3.180 -4.629 -2.859 1.00 0.00 N ATOM 125 N1 DA A 4 -1.334 -5.794 -2.128 1.00 0.00 N ATOM 126 C2 DA A 4 -0.714 -6.469 -1.168 1.00 0.00 C ATOM 127 N3 DA A 4 -1.131 -6.746 0.058 1.00 0.00 N ATOM 128 C4 DA A 4 -2.363 -6.233 0.262 1.00 0.00 C ATOM 0 H5' DA A 4 -5.680 -9.075 2.750 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.895 -9.328 4.470 1.00 0.00 H new ATOM 0 H4' DA A 4 -3.674 -9.531 4.377 1.00 0.00 H new ATOM 0 H3' DA A 4 -4.206 -7.211 5.637 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.101 -5.705 3.705 1.00 0.00 H new ATOM 0 H2'' DA A 4 -2.457 -5.615 4.306 1.00 0.00 H new ATOM 0 H1' DA A 4 -1.621 -7.057 2.664 1.00 0.00 H new ATOM 0 H8 DA A 4 -5.079 -5.549 1.863 1.00 0.00 H new ATOM 0 H61 DA A 4 -2.723 -4.497 -3.761 1.00 0.00 H new ATOM 0 H62 DA A 4 -4.113 -4.249 -2.699 1.00 0.00 H new ATOM 0 H2 DA A 4 0.266 -6.844 -1.422 1.00 0.00 H new HETATM 140 P XCS A 5 -1.764 -7.286 6.850 1.00 0.00 P HETATM 141 OP2 XCS A 5 -2.643 -6.152 7.217 1.00 0.00 O HETATM 142 C6 XCS A 5 -0.055 -3.049 2.450 1.00 0.00 C HETATM 143 C2 XCS A 5 1.048 -2.652 0.349 1.00 0.00 C HETATM 144 O2 XCS A 5 2.053 -2.760 -0.350 1.00 0.00 O HETATM 145 N3 XCS A 5 -0.089 -2.054 -0.133 1.00 0.00 N HETATM 146 C4 XCS A 5 -1.195 -1.940 0.622 1.00 0.00 C HETATM 147 N4 XCS A 5 -2.259 -1.344 0.082 1.00 0.00 N HETATM 148 C5 XCS A 5 -1.219 -2.442 1.960 1.00 0.00 C HETATM 149 OP1 XCS A 5 -1.617 -8.433 7.773 1.00 0.00 O HETATM 150 O5' XCS A 5 -0.297 -6.701 6.537 1.00 0.00 O HETATM 151 C5' XCS A 5 0.538 -7.308 5.545 1.00 0.00 C HETATM 152 C4' XCS A 5 1.617 -6.347 5.054 1.00 0.00 C HETATM 153 O4' XCS A 5 1.085 -5.572 3.972 1.00 0.00 O HETATM 154 C1' XCS A 5 1.192 -4.168 4.224 1.00 0.00 C HETATM 155 ND XCS A 5 1.071 -3.155 1.651 1.00 0.00 N HETATM 156 CP XCS A 5 -2.376 -2.329 2.758 1.00 0.00 C HETATM 157 CD XCS A 5 -1.191 -3.443 4.562 1.00 0.00 C HETATM 158 C8 XCS A 5 -0.012 -3.565 3.769 1.00 0.00 C HETATM 159 C7 XCS A 5 -2.354 -2.832 4.058 1.00 0.00 C HETATM 160 C7A XCS A 5 -3.598 -2.722 4.936 1.00 0.00 C HETATM 161 C2' XCS A 5 1.347 -4.053 5.745 1.00 0.00 C HETATM 162 C3' XCS A 5 2.090 -5.333 6.094 1.00 0.00 C HETATM 163 O3' XCS A 5 3.481 -5.096 5.858 1.00 0.00 O HETATM 0 HN42 XCS A 5 -3.116 -1.240 0.626 1.00 0.00 H new HETATM 0 HN41 XCS A 5 -2.216 -0.992 -0.875 1.00 0.00 H new HETATM 0 H7A3 XCS A 5 -3.862 -1.672 5.063 1.00 0.00 H new HETATM 0 H7A2 XCS A 5 -4.426 -3.250 4.462 1.00 0.00 H new HETATM 0 H7A1 XCS A 5 -3.396 -3.166 5.911 1.00 0.00 H new HETATM 0 H5'2 XCS A 5 1.006 -8.201 5.960 1.00 0.00 H new HETATM 0 H5'1 XCS A 5 -0.073 -7.631 4.702 1.00 0.00 H new HETATM 0 H2'2 XCS A 5 1.911 -3.165 6.030 1.00 0.00 H new HETATM 0 H2'1 XCS A 5 0.382 -3.993 6.249 1.00 0.00 H new HETATM 0 HP XCS A 5 -3.275 -1.855 2.364 1.00 0.00 H new HETATM 0 HND XCS A 5 1.915 -3.599 2.013 1.00 0.00 H new HETATM 0 HD XCS A 5 -1.191 -3.831 5.580 1.00 0.00 H new HETATM 0 H4' XCS A 5 2.462 -6.979 4.782 1.00 0.00 H new HETATM 0 H3' XCS A 5 1.924 -5.661 7.120 1.00 0.00 H new HETATM 0 H1' XCS A 5 2.026 -3.678 3.721 1.00 0.00 H new HETATM 179 P XGA A 6 4.544 -5.252 7.058 1.00 0.00 P HETATM 180 OP1 XGA A 6 4.912 -6.682 7.168 1.00 0.00 O HETATM 181 OP2 XGA A 6 4.016 -4.534 8.240 1.00 0.00 O HETATM 182 C5' XGA A 6 6.285 -4.619 5.170 1.00 0.00 C HETATM 183 O5' XGA A 6 5.823 -4.443 6.512 1.00 0.00 O HETATM 184 C4' XGA A 6 6.993 -3.368 4.656 1.00 0.00 C HETATM 185 O4' XGA A 6 6.017 -2.486 4.083 1.00 0.00 O HETATM 186 C3' XGA A 6 7.702 -2.552 5.735 1.00 0.00 C HETATM 187 C2' XGA A 6 6.736 -1.420 6.048 1.00 0.00 C HETATM 188 C1' XGA A 6 6.057 -1.197 4.702 1.00 0.00 C HETATM 189 N9 XGA A 6 4.710 -0.663 4.817 1.00 0.00 N HETATM 190 C8 XGA A 6 3.791 -0.975 5.789 1.00 0.00 C HETATM 191 N7 XGA A 6 2.667 -0.320 5.633 1.00 0.00 N HETATM 192 C4 XGA A 6 3.687 1.839 2.196 1.00 0.00 C HETATM 193 C5 XGA A 6 2.399 2.047 2.730 1.00 0.00 C HETATM 194 N3 XGA A 6 4.118 2.476 1.098 1.00 0.00 N HETATM 195 C2 XGA A 6 3.258 3.340 0.510 1.00 0.00 C HETATM 196 N2 XGA A 6 3.672 3.989 -0.606 1.00 0.00 N HETATM 197 N1 XGA A 6 2.012 3.596 0.957 1.00 0.00 N HETATM 198 C6 XGA A 6 1.550 2.949 2.088 1.00 0.00 C HETATM 199 O6 XGA A 6 0.418 3.175 2.512 1.00 0.00 O HETATM 200 C10 XGA A 6 4.125 0.263 3.976 1.00 0.00 C HETATM 201 C11 XGA A 6 2.853 0.452 4.517 1.00 0.00 C HETATM 202 CP XGA A 6 1.977 1.350 3.894 1.00 0.00 C HETATM 203 CD XGA A 6 4.557 0.944 2.822 1.00 0.00 C HETATM 204 O3' XGA A 6 8.855 -1.962 5.128 1.00 0.00 O HETATM 0 HN22 XGA A 6 3.049 4.647 -1.074 1.00 0.00 H new HETATM 0 HN21 XGA A 6 4.607 3.819 -0.978 1.00 0.00 H new HETATM 0 H5'2 XGA A 6 6.967 -5.468 5.127 1.00 0.00 H new HETATM 0 H5'1 XGA A 6 5.441 -4.854 4.521 1.00 0.00 H new HETATM 0 H2'2 XGA A 6 6.022 -1.697 6.824 1.00 0.00 H new HETATM 0 H2'1 XGA A 6 7.254 -0.526 6.396 1.00 0.00 H new HETATM 0 HP XGA A 6 0.978 1.513 4.299 1.00 0.00 H new HETATM 0 HN1 XGA A 6 1.415 4.261 0.465 1.00 0.00 H new HETATM 0 HD XGA A 6 5.557 0.775 2.423 1.00 0.00 H new HETATM 0 H8 XGA A 6 3.975 -1.684 6.596 1.00 0.00 H new HETATM 0 H4' XGA A 6 7.740 -3.730 3.949 1.00 0.00 H new HETATM 0 H3' XGA A 6 7.979 -3.141 6.609 1.00 0.00 H new HETATM 0 H1' XGA A 6 6.611 -0.457 4.125 1.00 0.00 H new ATOM 218 P DC A 7 10.206 -1.745 5.979 1.00 0.00 P ATOM 219 OP1 DC A 7 11.129 -2.863 5.678 1.00 0.00 O ATOM 220 OP2 DC A 7 9.832 -1.456 7.381 1.00 0.00 O ATOM 221 O5' DC A 7 10.814 -0.402 5.335 1.00 0.00 O ATOM 222 C5' DC A 7 10.978 -0.280 3.920 1.00 0.00 C ATOM 223 C4' DC A 7 11.155 1.175 3.495 1.00 0.00 C ATOM 224 O4' DC A 7 9.864 1.735 3.208 1.00 0.00 O ATOM 225 C3' DC A 7 11.770 2.082 4.562 1.00 0.00 C ATOM 226 O3' DC A 7 12.562 3.058 3.880 1.00 0.00 O ATOM 227 C2' DC A 7 10.580 2.814 5.168 1.00 0.00 C ATOM 228 C1' DC A 7 9.630 2.917 3.980 1.00 0.00 C ATOM 229 N1 DC A 7 8.203 2.947 4.381 1.00 0.00 N ATOM 230 C2 DC A 7 7.368 3.850 3.734 1.00 0.00 C ATOM 231 O2 DC A 7 7.809 4.591 2.855 1.00 0.00 O ATOM 232 N3 DC A 7 6.056 3.892 4.089 1.00 0.00 N ATOM 233 C4 DC A 7 5.576 3.083 5.041 1.00 0.00 C ATOM 234 N4 DC A 7 4.279 3.174 5.339 1.00 0.00 N ATOM 235 C5 DC A 7 6.425 2.151 5.711 1.00 0.00 C ATOM 236 C6 DC A 7 7.722 2.114 5.355 1.00 0.00 C ATOM 0 H5' DC A 7 10.110 -0.703 3.415 1.00 0.00 H new ATOM 0 H5'' DC A 7 11.845 -0.860 3.603 1.00 0.00 H new ATOM 0 H4' DC A 7 11.830 1.142 2.640 1.00 0.00 H new ATOM 0 H3' DC A 7 12.366 1.542 5.297 1.00 0.00 H new ATOM 0 H2' DC A 7 10.139 2.259 5.996 1.00 0.00 H new ATOM 0 H2'' DC A 7 10.858 3.795 5.554 1.00 0.00 H new ATOM 0 H1' DC A 7 9.817 3.844 3.438 1.00 0.00 H new ATOM 0 H41 DC A 7 3.878 2.573 6.059 1.00 0.00 H new ATOM 0 H42 DC A 7 3.688 3.844 4.847 1.00 0.00 H new ATOM 0 H5 DC A 7 6.039 1.497 6.479 1.00 0.00 H new ATOM 0 H6 DC A 7 8.390 1.420 5.843 1.00 0.00 H new HETATM 248 P XAE A 8 13.817 3.758 4.611 1.00 0.00 P HETATM 249 OP1 XAE A 8 15.007 3.595 3.746 1.00 0.00 O HETATM 250 OP2 XAE A 8 13.858 3.291 6.016 1.00 0.00 O HETATM 251 C5' XAE A 8 12.331 5.792 3.796 1.00 0.00 C HETATM 252 C4' XAE A 8 11.815 7.149 4.269 1.00 0.00 C HETATM 253 O4' XAE A 8 10.397 7.058 4.490 1.00 0.00 O HETATM 254 C3' XAE A 8 12.397 7.639 5.596 1.00 0.00 C HETATM 255 C2' XAE A 8 11.339 7.258 6.618 1.00 0.00 C HETATM 256 C1' XAE A 8 10.068 7.491 5.813 1.00 0.00 C HETATM 257 O5' XAE A 8 13.405 5.317 4.614 1.00 0.00 O HETATM 258 N9 XAE A 8 8.904 6.778 6.312 1.00 0.00 N HETATM 259 C8 XAE A 8 8.902 5.627 7.062 1.00 0.00 C HETATM 260 N7 XAE A 8 7.685 5.250 7.380 1.00 0.00 N HETATM 261 C5 XAE A 8 4.829 7.370 6.175 1.00 0.00 C HETATM 262 C4 XAE A 8 5.586 8.341 5.486 1.00 0.00 C HETATM 263 C6 XAE A 8 3.412 7.521 6.171 1.00 0.00 C HETATM 264 N6 XAE A 8 2.607 6.660 6.795 1.00 0.00 N HETATM 265 N1 XAE A 8 2.865 8.555 5.527 1.00 0.00 N HETATM 266 C2 XAE A 8 3.682 9.409 4.910 1.00 0.00 C HETATM 267 N3 XAE A 8 5.020 9.400 4.828 1.00 0.00 N HETATM 268 C10 XAE A 8 7.592 7.161 6.137 1.00 0.00 C HETATM 269 C11 XAE A 8 6.861 6.187 6.816 1.00 0.00 C HETATM 270 CP XAE A 8 5.463 6.286 6.841 1.00 0.00 C HETATM 271 CD XAE A 8 6.976 8.239 5.473 1.00 0.00 C HETATM 272 O3' XAE A 8 12.412 9.068 5.539 1.00 0.00 O HETATM 0 HN62 XAE A 8 1.597 6.798 6.772 1.00 0.00 H new HETATM 0 HN61 XAE A 8 3.002 5.863 7.295 1.00 0.00 H new HETATM 0 H5'2 XAE A 8 11.516 5.068 3.810 1.00 0.00 H new HETATM 0 H5'1 XAE A 8 12.669 5.872 2.763 1.00 0.00 H new HETATM 0 H2'2 XAE A 8 11.436 6.223 6.947 1.00 0.00 H new HETATM 0 H2'1 XAE A 8 11.383 7.882 7.511 1.00 0.00 H new HETATM 0 HP XAE A 8 4.868 5.539 7.366 1.00 0.00 H new HETATM 0 HD XAE A 8 7.579 8.985 4.955 1.00 0.00 H new HETATM 0 H8 XAE A 8 9.803 5.090 7.358 1.00 0.00 H new HETATM 0 H4' XAE A 8 12.110 7.846 3.484 1.00 0.00 H new HETATM 0 H3' XAE A 8 13.388 7.241 5.814 1.00 0.00 H new HETATM 0 H2 XAE A 8 3.190 10.235 4.397 1.00 0.00 H new HETATM 0 H1' XAE A 8 9.776 8.539 5.872 1.00 0.00 H new HETATM 286 P XGA A 9 13.794 9.892 5.498 1.00 0.00 P HETATM 287 OP1 XGA A 9 14.516 9.532 4.257 1.00 0.00 O HETATM 288 OP2 XGA A 9 14.460 9.751 6.812 1.00 0.00 O HETATM 289 C5' XGA A 9 12.502 11.799 4.212 1.00 0.00 C HETATM 290 O5' XGA A 9 13.264 11.404 5.358 1.00 0.00 O HETATM 291 C4' XGA A 9 11.449 12.846 4.567 1.00 0.00 C HETATM 292 O4' XGA A 9 10.261 12.164 5.017 1.00 0.00 O HETATM 293 C3' XGA A 9 11.823 13.777 5.719 1.00 0.00 C HETATM 294 C2' XGA A 9 11.224 13.093 6.934 1.00 0.00 C HETATM 295 C1' XGA A 9 9.921 12.570 6.350 1.00 0.00 C HETATM 296 N9 XGA A 9 9.350 11.461 7.095 1.00 0.00 N HETATM 297 C8 XGA A 9 10.042 10.459 7.728 1.00 0.00 C HETATM 298 N7 XGA A 9 9.241 9.615 8.335 1.00 0.00 N HETATM 299 C4 XGA A 9 5.594 11.409 7.327 1.00 0.00 C HETATM 300 C5 XGA A 9 5.539 10.241 8.116 1.00 0.00 C HETATM 301 N3 XGA A 9 4.491 12.067 6.944 1.00 0.00 N HETATM 302 C2 XGA A 9 3.300 11.564 7.347 1.00 0.00 C HETATM 303 N2 XGA A 9 2.175 12.215 6.962 1.00 0.00 N HETATM 304 N1 XGA A 9 3.160 10.454 8.100 1.00 0.00 N HETATM 305 C6 XGA A 9 4.286 9.760 8.508 1.00 0.00 C HETATM 306 O6 XGA A 9 4.173 8.748 9.199 1.00 0.00 O HETATM 307 C10 XGA A 9 8.005 11.239 7.313 1.00 0.00 C HETATM 308 C11 XGA A 9 7.976 10.081 8.090 1.00 0.00 C HETATM 309 CP XGA A 9 6.733 9.571 8.500 1.00 0.00 C HETATM 310 CD XGA A 9 6.832 11.914 6.925 1.00 0.00 C HETATM 311 O3' XGA A 9 11.092 14.993 5.522 1.00 0.00 O HETATM 0 HN22 XGA A 9 1.260 11.865 7.247 1.00 0.00 H new HETATM 0 HN21 XGA A 9 2.243 13.055 6.387 1.00 0.00 H new HETATM 0 H5'2 XGA A 9 13.171 12.200 3.451 1.00 0.00 H new HETATM 0 H5'1 XGA A 9 12.015 10.925 3.780 1.00 0.00 H new HETATM 0 H2'2 XGA A 9 11.859 12.292 7.313 1.00 0.00 H new HETATM 0 H2'1 XGA A 9 11.059 13.786 7.759 1.00 0.00 H new HETATM 0 HP XGA A 9 6.684 8.668 9.108 1.00 0.00 H new HETATM 0 HN1 XGA A 9 2.231 10.128 8.367 1.00 0.00 H new HETATM 0 HD XGA A 9 6.890 12.818 6.319 1.00 0.00 H new HETATM 0 H8 XGA A 9 11.129 10.374 7.727 1.00 0.00 H new HETATM 0 H4' XGA A 9 11.329 13.442 3.662 1.00 0.00 H new HETATM 0 H3' XGA A 9 12.892 13.973 5.804 1.00 0.00 H new HETATM 0 H1' XGA A 9 9.152 13.341 6.386 1.00 0.00 H new ATOM 325 P DT A 10 11.573 16.378 6.193 1.00 0.00 P ATOM 326 OP1 DT A 10 11.551 17.429 5.151 1.00 0.00 O ATOM 327 OP2 DT A 10 12.816 16.122 6.957 1.00 0.00 O ATOM 328 O5' DT A 10 10.387 16.686 7.243 1.00 0.00 O ATOM 329 C5' DT A 10 9.252 15.814 7.335 1.00 0.00 C ATOM 330 C4' DT A 10 8.035 16.514 7.931 1.00 0.00 C ATOM 331 O4' DT A 10 7.252 15.549 8.651 1.00 0.00 O ATOM 332 C3' DT A 10 8.357 17.615 8.943 1.00 0.00 C ATOM 333 O3' DT A 10 7.341 18.623 8.926 1.00 0.00 O ATOM 334 C2' DT A 10 8.333 16.856 10.263 1.00 0.00 C ATOM 335 C1' DT A 10 7.184 15.885 10.040 1.00 0.00 C ATOM 336 N1 DT A 10 7.316 14.649 10.845 1.00 0.00 N ATOM 337 C2 DT A 10 6.375 14.429 11.837 1.00 0.00 C ATOM 338 O2 DT A 10 5.442 15.201 12.051 1.00 0.00 O ATOM 339 N3 DT A 10 6.535 13.274 12.579 1.00 0.00 N ATOM 340 C4 DT A 10 7.534 12.333 12.420 1.00 0.00 C ATOM 341 O4 DT A 10 7.571 11.342 13.147 1.00 0.00 O ATOM 342 C5 DT A 10 8.469 12.641 11.363 1.00 0.00 C ATOM 343 C7 DT A 10 9.622 11.681 11.078 1.00 0.00 C ATOM 344 C6 DT A 10 8.338 13.761 10.624 1.00 0.00 C ATOM 0 H5' DT A 10 9.508 14.950 7.948 1.00 0.00 H new ATOM 0 H5'' DT A 10 9.003 15.438 6.343 1.00 0.00 H new ATOM 0 H4' DT A 10 7.525 16.967 7.081 1.00 0.00 H new ATOM 0 H3' DT A 10 9.297 18.131 8.749 1.00 0.00 H new ATOM 0 H2' DT A 10 9.274 16.340 10.455 1.00 0.00 H new ATOM 0 H2'' DT A 10 8.152 17.516 11.111 1.00 0.00 H new ATOM 0 HO3' DT A 10 7.560 19.319 9.580 1.00 0.00 H new ATOM 0 H1' DT A 10 6.240 16.341 10.337 1.00 0.00 H new ATOM 0 H3 DT A 10 5.850 13.100 13.314 1.00 0.00 H new ATOM 0 H71 DT A 10 9.884 11.731 10.021 1.00 0.00 H new ATOM 0 H72 DT A 10 10.486 11.961 11.680 1.00 0.00 H new ATOM 0 H73 DT A 10 9.319 10.664 11.329 1.00 0.00 H new ATOM 0 H6 DT A 10 9.053 13.964 9.841 1.00 0.00 H new TER 358 DT A 10 HETATM 359 C5' XAE B 11 -4.299 9.227 18.424 1.00 0.00 C HETATM 360 C4' XAE B 11 -4.062 9.994 17.126 1.00 0.00 C HETATM 361 O4' XAE B 11 -2.741 10.554 17.152 1.00 0.00 O HETATM 362 C3' XAE B 11 -4.118 9.140 15.860 1.00 0.00 C HETATM 363 C2' XAE B 11 -2.661 8.869 15.519 1.00 0.00 C HETATM 364 C1' XAE B 11 -1.979 10.135 16.015 1.00 0.00 C HETATM 365 O5' XAE B 11 -3.849 7.872 18.328 1.00 0.00 O HETATM 366 N9 XAE B 11 -0.595 9.925 16.398 1.00 0.00 N HETATM 367 C8 XAE B 11 -0.154 9.296 17.536 1.00 0.00 C HETATM 368 N7 XAE B 11 1.155 9.255 17.600 1.00 0.00 N HETATM 369 C5 XAE B 11 3.091 10.804 14.780 1.00 0.00 C HETATM 370 C4 XAE B 11 1.993 11.238 14.005 1.00 0.00 C HETATM 371 C6 XAE B 11 4.396 11.076 14.276 1.00 0.00 C HETATM 372 N6 XAE B 11 5.502 10.708 14.924 1.00 0.00 N HETATM 373 N1 XAE B 11 4.525 11.719 13.113 1.00 0.00 N HETATM 374 C2 XAE B 11 3.417 12.082 12.471 1.00 0.00 C HETATM 375 N3 XAE B 11 2.134 11.897 12.814 1.00 0.00 N HETATM 376 C10 XAE B 11 0.516 10.317 15.683 1.00 0.00 C HETATM 377 C11 XAE B 11 1.589 9.882 16.462 1.00 0.00 C HETATM 378 CP XAE B 11 2.895 10.126 16.012 1.00 0.00 C HETATM 379 CD XAE B 11 0.698 10.992 14.460 1.00 0.00 C HETATM 380 O3' XAE B 11 -4.641 9.973 14.820 1.00 0.00 O HETATM 0 HN62 XAE B 11 6.419 10.921 14.530 1.00 0.00 H new HETATM 0 HN61 XAE B 11 5.431 10.213 15.813 1.00 0.00 H new HETATM 0 H5'2 XAE B 11 -3.779 9.726 19.242 1.00 0.00 H new HETATM 0 H5'1 XAE B 11 -5.362 9.241 18.666 1.00 0.00 H new HETATM 0 H2'2 XAE B 11 -2.283 7.979 16.021 1.00 0.00 H new HETATM 0 H2'1 XAE B 11 -2.514 8.718 14.450 1.00 0.00 H new HETATM 0 HP XAE B 11 3.751 9.798 16.602 1.00 0.00 H new HETATM 0 HD XAE B 11 -0.163 11.318 13.876 1.00 0.00 H new HETATM 0 H8 XAE B 11 -0.814 8.880 18.297 1.00 0.00 H new HETATM 0 H4' XAE B 11 -4.863 10.732 17.082 1.00 0.00 H new HETATM 0 H3' XAE B 11 -4.711 8.233 15.975 1.00 0.00 H new HETATM 0 H2 XAE B 11 3.576 12.606 11.529 1.00 0.00 H new HETATM 0 H1' XAE B 11 -1.950 10.879 15.219 1.00 0.00 H new ATOM 395 P DC B 12 -5.659 9.378 13.723 1.00 0.00 P ATOM 396 OP1 DC B 12 -5.323 7.954 13.498 1.00 0.00 O ATOM 397 OP2 DC B 12 -7.036 9.759 14.113 1.00 0.00 O ATOM 398 O5' DC B 12 -5.266 10.201 12.396 1.00 0.00 O ATOM 399 C5' DC B 12 -4.926 11.590 12.469 1.00 0.00 C ATOM 400 C4' DC B 12 -4.539 12.147 11.101 1.00 0.00 C ATOM 401 O4' DC B 12 -3.109 12.122 10.974 1.00 0.00 O ATOM 402 C3' DC B 12 -5.068 11.342 9.916 1.00 0.00 C ATOM 403 O3' DC B 12 -5.310 12.269 8.853 1.00 0.00 O ATOM 404 C2' DC B 12 -3.888 10.479 9.495 1.00 0.00 C ATOM 405 C1' DC B 12 -2.707 11.385 9.815 1.00 0.00 C ATOM 406 N1 DC B 12 -1.475 10.626 10.131 1.00 0.00 N ATOM 407 C2 DC B 12 -0.405 10.721 9.248 1.00 0.00 C ATOM 408 O2 DC B 12 -0.489 11.420 8.237 1.00 0.00 O ATOM 409 N3 DC B 12 0.734 10.030 9.527 1.00 0.00 N ATOM 410 C4 DC B 12 0.825 9.273 10.627 1.00 0.00 C ATOM 411 N4 DC B 12 1.969 8.623 10.842 1.00 0.00 N ATOM 412 C5 DC B 12 -0.271 9.168 11.541 1.00 0.00 C ATOM 413 C6 DC B 12 -1.393 9.855 11.257 1.00 0.00 C ATOM 0 H5' DC B 12 -4.099 11.726 13.165 1.00 0.00 H new ATOM 0 H5'' DC B 12 -5.772 12.152 12.865 1.00 0.00 H new ATOM 0 H4' DC B 12 -4.974 13.146 11.066 1.00 0.00 H new ATOM 0 H3' DC B 12 -5.966 10.769 10.146 1.00 0.00 H new ATOM 0 H2' DC B 12 -3.847 9.543 10.052 1.00 0.00 H new ATOM 0 H2'' DC B 12 -3.929 10.219 8.437 1.00 0.00 H new ATOM 0 H1' DC B 12 -2.469 12.012 8.955 1.00 0.00 H new ATOM 0 H41 DC B 12 2.075 8.037 11.670 1.00 0.00 H new ATOM 0 H42 DC B 12 2.739 8.712 10.179 1.00 0.00 H new ATOM 0 H5 DC B 12 -0.200 8.558 12.429 1.00 0.00 H new ATOM 0 H6 DC B 12 -2.238 9.797 11.926 1.00 0.00 H new ATOM 425 P DT B 13 -6.539 12.049 7.833 1.00 0.00 P ATOM 426 OP1 DT B 13 -7.483 13.177 7.997 1.00 0.00 O ATOM 427 OP2 DT B 13 -7.022 10.657 7.976 1.00 0.00 O ATOM 428 O5' DT B 13 -5.830 12.188 6.396 1.00 0.00 O ATOM 429 C5' DT B 13 -4.948 13.281 6.118 1.00 0.00 C ATOM 430 C4' DT B 13 -4.100 13.019 4.877 1.00 0.00 C ATOM 431 O4' DT B 13 -2.883 12.363 5.272 1.00 0.00 O ATOM 432 C3' DT B 13 -4.746 12.093 3.844 1.00 0.00 C ATOM 433 O3' DT B 13 -4.316 12.540 2.553 1.00 0.00 O ATOM 434 C2' DT B 13 -4.084 10.746 4.093 1.00 0.00 C ATOM 435 C1' DT B 13 -2.682 11.175 4.504 1.00 0.00 C ATOM 436 N1 DT B 13 -1.975 10.172 5.339 1.00 0.00 N ATOM 437 C2 DT B 13 -0.610 10.026 5.136 1.00 0.00 C ATOM 438 O2 DT B 13 0.011 10.682 4.302 1.00 0.00 O ATOM 439 N3 DT B 13 0.026 9.091 5.932 1.00 0.00 N ATOM 440 C4 DT B 13 -0.569 8.300 6.895 1.00 0.00 C ATOM 441 O4 DT B 13 0.104 7.504 7.546 1.00 0.00 O ATOM 442 C5 DT B 13 -1.989 8.514 7.039 1.00 0.00 C ATOM 443 C7 DT B 13 -2.770 7.692 8.062 1.00 0.00 C ATOM 444 C6 DT B 13 -2.637 9.420 6.279 1.00 0.00 C ATOM 0 H5' DT B 13 -4.296 13.450 6.975 1.00 0.00 H new ATOM 0 H5'' DT B 13 -5.530 14.191 5.976 1.00 0.00 H new ATOM 0 H4' DT B 13 -3.955 13.999 4.422 1.00 0.00 H new ATOM 0 H3' DT B 13 -5.834 12.063 3.903 1.00 0.00 H new ATOM 0 H2' DT B 13 -4.587 10.179 4.877 1.00 0.00 H new ATOM 0 H2'' DT B 13 -4.077 10.120 3.201 1.00 0.00 H new ATOM 0 H1' DT B 13 -2.059 11.309 3.620 1.00 0.00 H new ATOM 0 H3 DT B 13 1.030 8.975 5.795 1.00 0.00 H new ATOM 0 H71 DT B 13 -2.298 6.717 8.182 1.00 0.00 H new ATOM 0 H72 DT B 13 -2.776 8.213 9.019 1.00 0.00 H new ATOM 0 H73 DT B 13 -3.795 7.558 7.715 1.00 0.00 H new ATOM 0 H6 DT B 13 -3.700 9.557 6.412 1.00 0.00 H new HETATM 457 P XGA B 14 -5.221 12.271 1.246 1.00 0.00 P HETATM 458 OP1 XGA B 14 -6.124 13.429 1.064 1.00 0.00 O HETATM 459 OP2 XGA B 14 -5.786 10.905 1.345 1.00 0.00 O HETATM 460 C5' XGA B 14 -2.753 12.507 0.310 1.00 0.00 C HETATM 461 O5' XGA B 14 -4.142 12.281 0.048 1.00 0.00 O HETATM 462 C4' XGA B 14 -1.857 11.793 -0.702 1.00 0.00 C HETATM 463 O4' XGA B 14 -0.893 11.003 0.010 1.00 0.00 O HETATM 464 C3' XGA B 14 -2.579 10.813 -1.624 1.00 0.00 C HETATM 465 C2' XGA B 14 -2.396 9.462 -0.952 1.00 0.00 C HETATM 466 C1' XGA B 14 -1.026 9.610 -0.299 1.00 0.00 C HETATM 467 N9 XGA B 14 -0.881 8.821 0.912 1.00 0.00 N HETATM 468 C8 XGA B 14 -1.848 8.615 1.864 1.00 0.00 C HETATM 469 N7 XGA B 14 -1.423 7.855 2.843 1.00 0.00 N HETATM 470 C4 XGA B 14 2.470 7.191 1.459 1.00 0.00 C HETATM 471 C5 XGA B 14 2.104 6.584 2.678 1.00 0.00 C HETATM 472 N3 XGA B 14 3.692 7.045 0.925 1.00 0.00 N HETATM 473 C2 XGA B 14 4.576 6.281 1.612 1.00 0.00 C HETATM 474 N2 XGA B 14 5.816 6.118 1.094 1.00 0.00 N HETATM 475 N1 XGA B 14 4.302 5.670 2.779 1.00 0.00 N HETATM 476 C6 XGA B 14 3.050 5.807 3.345 1.00 0.00 C HETATM 477 O6 XGA B 14 2.784 5.243 4.404 1.00 0.00 O HETATM 478 C10 XGA B 14 0.250 8.139 1.316 1.00 0.00 C HETATM 479 C11 XGA B 14 -0.129 7.548 2.523 1.00 0.00 C HETATM 480 CP XGA B 14 0.803 6.763 3.215 1.00 0.00 C HETATM 481 CD XGA B 14 1.538 7.971 0.770 1.00 0.00 C HETATM 482 O3' XGA B 14 -1.845 10.772 -2.851 1.00 0.00 O HETATM 0 HN22 XGA B 14 6.504 5.549 1.587 1.00 0.00 H new HETATM 0 HN21 XGA B 14 6.062 6.564 0.211 1.00 0.00 H new HETATM 0 H5'2 XGA B 14 -2.548 13.577 0.284 1.00 0.00 H new HETATM 0 H5'1 XGA B 14 -2.512 12.161 1.315 1.00 0.00 H new HETATM 0 H2'2 XGA B 14 -3.177 9.263 -0.218 1.00 0.00 H new HETATM 0 H2'1 XGA B 14 -2.418 8.643 -1.671 1.00 0.00 H new HETATM 0 HP XGA B 14 0.530 6.293 4.160 1.00 0.00 H new HETATM 0 HN1 XGA B 14 5.016 5.108 3.243 1.00 0.00 H new HETATM 0 HD XGA B 14 1.803 8.443 -0.176 1.00 0.00 H new HETATM 0 H8 XGA B 14 -2.853 9.035 1.812 1.00 0.00 H new HETATM 0 H4' XGA B 14 -1.431 12.590 -1.311 1.00 0.00 H new HETATM 0 H3' XGA B 14 -3.623 11.073 -1.801 1.00 0.00 H new HETATM 0 H1' XGA B 14 -0.254 9.247 -0.978 1.00 0.00 H new ATOM 496 P DC B 15 -2.559 10.331 -4.227 1.00 0.00 P ATOM 497 OP1 DC B 15 -2.438 11.450 -5.190 1.00 0.00 O ATOM 498 OP2 DC B 15 -3.893 9.775 -3.906 1.00 0.00 O ATOM 499 O5' DC B 15 -1.620 9.126 -4.735 1.00 0.00 O ATOM 500 C5' DC B 15 -0.196 9.228 -4.640 1.00 0.00 C ATOM 501 C4' DC B 15 0.499 7.940 -5.075 1.00 0.00 C ATOM 502 O4' DC B 15 0.755 7.133 -3.916 1.00 0.00 O ATOM 503 C3' DC B 15 -0.313 7.053 -6.022 1.00 0.00 C ATOM 504 O3' DC B 15 0.617 6.445 -6.922 1.00 0.00 O ATOM 505 C2' DC B 15 -0.865 5.947 -5.133 1.00 0.00 C ATOM 506 C1' DC B 15 0.235 5.812 -4.083 1.00 0.00 C ATOM 507 N1 DC B 15 -0.265 5.327 -2.774 1.00 0.00 N ATOM 508 C2 DC B 15 0.528 4.423 -2.077 1.00 0.00 C ATOM 509 O2 DC B 15 1.614 4.066 -2.531 1.00 0.00 O ATOM 510 N3 DC B 15 0.084 3.956 -0.878 1.00 0.00 N ATOM 511 C4 DC B 15 -1.092 4.358 -0.377 1.00 0.00 C ATOM 512 N4 DC B 15 -1.470 3.860 0.799 1.00 0.00 N ATOM 513 C5 DC B 15 -1.912 5.288 -1.086 1.00 0.00 C ATOM 514 C6 DC B 15 -1.466 5.746 -2.270 1.00 0.00 C ATOM 0 H5' DC B 15 0.083 9.462 -3.613 1.00 0.00 H new ATOM 0 H5'' DC B 15 0.151 10.055 -5.260 1.00 0.00 H new ATOM 0 H4' DC B 15 1.395 8.271 -5.601 1.00 0.00 H new ATOM 0 H3' DC B 15 -1.088 7.595 -6.565 1.00 0.00 H new ATOM 0 H2' DC B 15 -1.823 6.219 -4.689 1.00 0.00 H new ATOM 0 H2'' DC B 15 -1.021 5.019 -5.684 1.00 0.00 H new ATOM 0 H1' DC B 15 0.974 5.082 -4.415 1.00 0.00 H new ATOM 0 H41 DC B 15 -2.359 4.143 1.211 1.00 0.00 H new ATOM 0 H42 DC B 15 -0.870 3.195 1.288 1.00 0.00 H new ATOM 0 H5 DC B 15 -2.860 5.613 -0.684 1.00 0.00 H new ATOM 0 H6 DC B 15 -2.063 6.452 -2.829 1.00 0.00 H new ATOM 526 P DG B 16 0.157 5.992 -8.399 1.00 0.00 P ATOM 527 OP1 DG B 16 0.571 7.044 -9.355 1.00 0.00 O ATOM 528 OP2 DG B 16 -1.259 5.567 -8.336 1.00 0.00 O ATOM 529 O5' DG B 16 1.062 4.687 -8.664 1.00 0.00 O ATOM 530 C5' DG B 16 2.166 4.376 -7.808 1.00 0.00 C ATOM 531 C4' DG B 16 2.484 2.884 -7.810 1.00 0.00 C ATOM 532 O4' DG B 16 2.106 2.326 -6.544 1.00 0.00 O ATOM 533 C3' DG B 16 1.732 2.067 -8.862 1.00 0.00 C ATOM 534 O3' DG B 16 2.613 1.030 -9.297 1.00 0.00 O ATOM 535 C2' DG B 16 0.601 1.401 -8.093 1.00 0.00 C ATOM 536 C1' DG B 16 1.221 1.216 -6.713 1.00 0.00 C ATOM 537 N9 DG B 16 0.224 1.235 -5.619 1.00 0.00 N ATOM 538 C8 DG B 16 -1.072 1.692 -5.636 1.00 0.00 C ATOM 539 N7 DG B 16 -1.694 1.547 -4.499 1.00 0.00 N ATOM 540 C5 DG B 16 -0.748 0.956 -3.671 1.00 0.00 C ATOM 541 C6 DG B 16 -0.849 0.559 -2.310 1.00 0.00 C ATOM 542 O6 DG B 16 -1.819 0.649 -1.559 1.00 0.00 O ATOM 543 N1 DG B 16 0.335 0.005 -1.849 1.00 0.00 N ATOM 544 C2 DG B 16 1.478 -0.151 -2.601 1.00 0.00 C ATOM 545 N2 DG B 16 2.535 -0.690 -1.995 1.00 0.00 N ATOM 546 N3 DG B 16 1.582 0.216 -3.880 1.00 0.00 N ATOM 547 C4 DG B 16 0.433 0.761 -4.346 1.00 0.00 C ATOM 0 H5' DG B 16 1.939 4.698 -6.792 1.00 0.00 H new ATOM 0 H5'' DG B 16 3.044 4.935 -8.131 1.00 0.00 H new ATOM 0 H4' DG B 16 3.550 2.823 -8.027 1.00 0.00 H new ATOM 0 H3' DG B 16 1.386 2.664 -9.705 1.00 0.00 H new ATOM 0 H2' DG B 16 -0.292 2.025 -8.059 1.00 0.00 H new ATOM 0 H2'' DG B 16 0.308 0.451 -8.539 1.00 0.00 H new ATOM 0 H1' DG B 16 1.713 0.245 -6.662 1.00 0.00 H new ATOM 0 H8 DG B 16 -1.532 2.130 -6.509 1.00 0.00 H new ATOM 0 H1 DG B 16 0.362 -0.311 -0.880 1.00 0.00 H new ATOM 0 H21 DG B 16 3.404 -0.826 -2.511 1.00 0.00 H new ATOM 0 H22 DG B 16 2.475 -0.967 -1.015 1.00 0.00 H new HETATM 559 P XTY B 17 2.653 0.590 -10.846 1.00 0.00 P HETATM 560 OP1 XTY B 17 1.267 0.610 -11.370 1.00 0.00 O HETATM 561 OP2 XTY B 17 3.709 1.374 -11.524 1.00 0.00 O HETATM 562 C5' XTY B 17 4.091 -1.361 -9.786 1.00 0.00 C HETATM 563 C4' XTY B 17 3.863 -2.810 -9.368 1.00 0.00 C HETATM 564 O4' XTY B 17 3.003 -2.829 -8.217 1.00 0.00 O HETATM 565 C3' XTY B 17 3.159 -3.672 -10.413 1.00 0.00 C HETATM 566 C2' XTY B 17 1.706 -3.668 -9.968 1.00 0.00 C HETATM 567 C1' XTY B 17 1.855 -3.652 -8.447 1.00 0.00 C HETATM 568 O5' XTY B 17 3.135 -0.943 -10.766 1.00 0.00 O HETATM 569 C2 XTY B 17 1.041 -4.717 -4.523 1.00 0.00 C HETATM 570 O2 XTY B 17 1.755 -5.534 -3.947 1.00 0.00 O HETATM 571 N3 XTY B 17 -0.040 -4.140 -3.885 1.00 0.00 N HETATM 572 C4 XTY B 17 -0.886 -3.215 -4.458 1.00 0.00 C HETATM 573 O4 XTY B 17 -1.825 -2.748 -3.818 1.00 0.00 O HETATM 574 C5 XTY B 17 -0.636 -2.832 -5.779 1.00 0.00 C HETATM 575 C6 XTY B 17 0.466 -3.403 -6.463 1.00 0.00 C HETATM 576 N XTY B 17 1.299 -4.339 -5.840 1.00 0.00 N HETATM 577 CP XTY B 17 -1.470 -1.890 -6.415 1.00 0.00 C HETATM 578 CD XTY B 17 -0.114 -2.082 -8.422 1.00 0.00 C HETATM 579 C8 XTY B 17 0.746 -3.039 -7.803 1.00 0.00 C HETATM 580 C7 XTY B 17 -1.205 -1.523 -7.732 1.00 0.00 C HETATM 581 C7A XTY B 17 -2.103 -0.506 -8.431 1.00 0.00 C HETATM 582 O3' XTY B 17 3.646 -5.009 -10.261 1.00 0.00 O HETATM 0 H7A3 XTY B 17 -3.125 -0.883 -8.461 1.00 0.00 H new HETATM 0 H7A2 XTY B 17 -2.080 0.436 -7.884 1.00 0.00 H new HETATM 0 H7A1 XTY B 17 -1.746 -0.343 -9.448 1.00 0.00 H new HETATM 0 H5'2 XTY B 17 4.024 -0.714 -8.911 1.00 0.00 H new HETATM 0 H5'1 XTY B 17 5.098 -1.251 -10.188 1.00 0.00 H new HETATM 0 H2'2 XTY B 17 1.166 -2.796 -10.337 1.00 0.00 H new HETATM 0 H2'1 XTY B 17 1.167 -4.548 -10.318 1.00 0.00 H new HETATM 0 HP XTY B 17 -2.314 -1.453 -5.881 1.00 0.00 H new HETATM 0 HN3 XTY B 17 -0.225 -4.418 -2.921 1.00 0.00 H new HETATM 0 HN XTY B 17 2.088 -4.741 -6.345 1.00 0.00 H new HETATM 0 HD XTY B 17 0.079 -1.778 -9.451 1.00 0.00 H new HETATM 0 H4' XTY B 17 4.859 -3.217 -9.196 1.00 0.00 H new HETATM 0 H3' XTY B 17 3.305 -3.325 -11.436 1.00 0.00 H new HETATM 0 H1' XTY B 17 1.932 -4.667 -8.058 1.00 0.00 H new ATOM 597 P DA B 18 3.999 -5.902 -11.555 1.00 0.00 P ATOM 598 OP1 DA B 18 5.399 -5.620 -11.943 1.00 0.00 O ATOM 599 OP2 DA B 18 2.911 -5.734 -12.546 1.00 0.00 O ATOM 600 O5' DA B 18 3.928 -7.405 -10.983 1.00 0.00 O ATOM 601 C5' DA B 18 4.657 -7.780 -9.810 1.00 0.00 C ATOM 602 C4' DA B 18 4.398 -9.236 -9.430 1.00 0.00 C ATOM 603 O4' DA B 18 3.222 -9.293 -8.614 1.00 0.00 O ATOM 604 C3' DA B 18 4.108 -10.160 -10.607 1.00 0.00 C ATOM 605 O3' DA B 18 4.456 -11.486 -10.199 1.00 0.00 O ATOM 606 C2' DA B 18 2.594 -10.116 -10.740 1.00 0.00 C ATOM 607 C1' DA B 18 2.146 -9.960 -9.289 1.00 0.00 C ATOM 608 N9 DA B 18 0.937 -9.121 -9.160 1.00 0.00 N ATOM 609 C8 DA B 18 0.551 -8.046 -9.924 1.00 0.00 C ATOM 610 N7 DA B 18 -0.557 -7.492 -9.525 1.00 0.00 N ATOM 611 C5 DA B 18 -0.932 -8.251 -8.424 1.00 0.00 C ATOM 612 C6 DA B 18 -2.025 -8.175 -7.550 1.00 0.00 C ATOM 613 N6 DA B 18 -2.973 -7.245 -7.644 1.00 0.00 N ATOM 614 N1 DA B 18 -2.101 -9.081 -6.562 1.00 0.00 N ATOM 615 C2 DA B 18 -1.147 -9.999 -6.456 1.00 0.00 C ATOM 616 N3 DA B 18 -0.072 -10.175 -7.209 1.00 0.00 N ATOM 617 C4 DA B 18 -0.030 -9.248 -8.191 1.00 0.00 C ATOM 0 H5' DA B 18 4.373 -7.131 -8.981 1.00 0.00 H new ATOM 0 H5'' DA B 18 5.723 -7.632 -9.980 1.00 0.00 H new ATOM 0 H4' DA B 18 5.312 -9.570 -8.940 1.00 0.00 H new ATOM 0 H3' DA B 18 4.637 -9.885 -11.520 1.00 0.00 H new ATOM 0 H2' DA B 18 2.264 -9.282 -11.360 1.00 0.00 H new ATOM 0 H2'' DA B 18 2.199 -11.025 -11.192 1.00 0.00 H new ATOM 0 H1' DA B 18 1.909 -10.940 -8.875 1.00 0.00 H new ATOM 0 H8 DA B 18 1.114 -7.694 -10.776 1.00 0.00 H new ATOM 0 H61 DA B 18 -3.747 -7.237 -6.980 1.00 0.00 H new ATOM 0 H62 DA B 18 -2.925 -6.541 -8.380 1.00 0.00 H new ATOM 0 H2 DA B 18 -1.264 -10.699 -5.642 1.00 0.00 H new HETATM 629 P XCS B 19 5.132 -12.514 -11.241 1.00 0.00 P HETATM 630 OP2 XCS B 19 6.477 -12.868 -10.735 1.00 0.00 O HETATM 631 C6 XCS B 19 -1.320 -12.993 -10.227 1.00 0.00 C HETATM 632 C2 XCS B 19 -2.828 -13.671 -8.478 1.00 0.00 C HETATM 633 O2 XCS B 19 -3.188 -14.521 -7.667 1.00 0.00 O HETATM 634 N3 XCS B 19 -3.478 -12.467 -8.579 1.00 0.00 N HETATM 635 C4 XCS B 19 -3.088 -11.532 -9.465 1.00 0.00 C HETATM 636 N4 XCS B 19 -3.762 -10.384 -9.502 1.00 0.00 N HETATM 637 C5 XCS B 19 -1.980 -11.765 -10.332 1.00 0.00 C HETATM 638 OP1 XCS B 19 4.978 -11.964 -12.606 1.00 0.00 O HETATM 639 O5' XCS B 19 4.189 -13.813 -11.115 1.00 0.00 O HETATM 640 C5' XCS B 19 3.700 -14.245 -9.842 1.00 0.00 C HETATM 641 C4' XCS B 19 2.506 -15.186 -9.985 1.00 0.00 C HETATM 642 O4' XCS B 19 1.296 -14.442 -9.766 1.00 0.00 O HETATM 643 C1' XCS B 19 0.416 -14.547 -10.893 1.00 0.00 C HETATM 644 ND XCS B 19 -1.735 -13.941 -9.308 1.00 0.00 N HETATM 645 CP XCS B 19 -1.569 -10.791 -11.266 1.00 0.00 C HETATM 646 CD XCS B 19 0.191 -12.298 -11.996 1.00 0.00 C HETATM 647 C8 XCS B 19 -0.217 -13.289 -11.056 1.00 0.00 C HETATM 648 C7 XCS B 19 -0.482 -11.065 -12.093 1.00 0.00 C HETATM 649 C7A XCS B 19 -0.024 -10.025 -13.112 1.00 0.00 C HETATM 650 C2' XCS B 19 1.349 -14.885 -12.055 1.00 0.00 C HETATM 651 C3' XCS B 19 2.343 -15.807 -11.371 1.00 0.00 C HETATM 652 O3' XCS B 19 1.694 -17.071 -11.194 1.00 0.00 O HETATM 0 HN42 XCS B 19 -3.492 -9.655 -10.162 1.00 0.00 H new HETATM 0 HN41 XCS B 19 -4.549 -10.234 -8.870 1.00 0.00 H new HETATM 0 H7A3 XCS B 19 -0.838 -9.812 -13.805 1.00 0.00 H new HETATM 0 H7A2 XCS B 19 0.261 -9.109 -12.594 1.00 0.00 H new HETATM 0 H7A1 XCS B 19 0.832 -10.410 -13.665 1.00 0.00 H new HETATM 0 H5'2 XCS B 19 4.498 -14.750 -9.298 1.00 0.00 H new HETATM 0 H5'1 XCS B 19 3.410 -13.377 -9.250 1.00 0.00 H new HETATM 0 H2'2 XCS B 19 0.825 -15.378 -12.874 1.00 0.00 H new HETATM 0 H2'1 XCS B 19 1.828 -13.998 -12.471 1.00 0.00 H new HETATM 0 HP XCS B 19 -2.094 -9.839 -11.339 1.00 0.00 H new HETATM 0 HND XCS B 19 -1.246 -14.833 -9.236 1.00 0.00 H new HETATM 0 HD XCS B 19 1.039 -12.498 -12.651 1.00 0.00 H new HETATM 0 H4' XCS B 19 2.688 -15.981 -9.262 1.00 0.00 H new HETATM 0 H3' XCS B 19 3.280 -15.930 -11.914 1.00 0.00 H new HETATM 0 H1' XCS B 19 -0.371 -15.295 -10.803 1.00 0.00 H new ATOM 668 P DA B 20 2.456 -18.445 -11.548 1.00 0.00 P ATOM 669 OP1 DA B 20 3.237 -18.237 -12.789 1.00 0.00 O ATOM 670 OP2 DA B 20 3.133 -18.927 -10.322 1.00 0.00 O ATOM 671 O5' DA B 20 1.242 -19.451 -11.881 1.00 0.00 O ATOM 672 C5' DA B 20 -0.109 -19.106 -11.555 1.00 0.00 C ATOM 673 C4' DA B 20 -1.109 -19.741 -12.520 1.00 0.00 C ATOM 674 O4' DA B 20 -1.999 -18.723 -13.005 1.00 0.00 O ATOM 675 C3' DA B 20 -0.486 -20.372 -13.773 1.00 0.00 C ATOM 676 O3' DA B 20 -1.235 -21.519 -14.180 1.00 0.00 O ATOM 677 C2' DA B 20 -0.614 -19.257 -14.801 1.00 0.00 C ATOM 678 C1' DA B 20 -1.960 -18.657 -14.431 1.00 0.00 C ATOM 679 N9 DA B 20 -2.102 -17.246 -14.851 1.00 0.00 N ATOM 680 C8 DA B 20 -1.148 -16.395 -15.356 1.00 0.00 C ATOM 681 N7 DA B 20 -1.605 -15.206 -15.640 1.00 0.00 N ATOM 682 C5 DA B 20 -2.952 -15.277 -15.300 1.00 0.00 C ATOM 683 C6 DA B 20 -3.997 -14.343 -15.364 1.00 0.00 C ATOM 684 N6 DA B 20 -3.847 -13.098 -15.814 1.00 0.00 N ATOM 685 N1 DA B 20 -5.211 -14.736 -14.948 1.00 0.00 N ATOM 686 C2 DA B 20 -5.371 -15.976 -14.502 1.00 0.00 C ATOM 687 N3 DA B 20 -4.475 -16.945 -14.394 1.00 0.00 N ATOM 688 C4 DA B 20 -3.266 -16.516 -14.819 1.00 0.00 C ATOM 0 H5' DA B 20 -0.222 -18.022 -11.577 1.00 0.00 H new ATOM 0 H5'' DA B 20 -0.331 -19.429 -10.538 1.00 0.00 H new ATOM 0 H4' DA B 20 -1.595 -20.528 -11.944 1.00 0.00 H new ATOM 0 H3' DA B 20 0.538 -20.716 -13.628 1.00 0.00 H new ATOM 0 H2' DA B 20 0.195 -18.531 -14.721 1.00 0.00 H new ATOM 0 H2'' DA B 20 -0.601 -19.637 -15.822 1.00 0.00 H new ATOM 0 HO3' DA B 20 -0.827 -21.909 -14.981 1.00 0.00 H new ATOM 0 H1' DA B 20 -2.765 -19.198 -14.928 1.00 0.00 H new ATOM 0 H8 DA B 20 -0.118 -16.683 -15.504 1.00 0.00 H new ATOM 0 H61 DA B 20 -4.646 -12.464 -15.836 1.00 0.00 H new ATOM 0 H62 DA B 20 -2.933 -12.779 -16.136 1.00 0.00 H new ATOM 0 H2 DA B 20 -6.371 -16.230 -14.183 1.00 0.00 H new TER 701 DA B 20