USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 212 hydrogens (0 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 Set 1.1: C 15 DT C7 :methyl -30:sc= -0.351 (180deg=-0.664) USER MOD Set 1.2: C 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DA O5' : rot 36:sc= 0.00867 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 9 DT C7 :methyl 150:sc= -0.223 (180deg=-0.223) USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.476 (180deg=-0.476) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot -27:sc= 0.00136 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.190 -9.020 -9.173 1.00 0.00 O ATOM 2 C5' DA A 1 -1.985 -9.518 -9.717 1.00 0.00 C ATOM 3 C4' DA A 1 -0.770 -8.821 -9.094 1.00 0.00 C ATOM 4 O4' DA A 1 -0.854 -7.420 -9.275 1.00 0.00 O ATOM 5 C3' DA A 1 -0.612 -9.071 -7.588 1.00 0.00 C ATOM 6 O3' DA A 1 0.471 -9.958 -7.358 1.00 0.00 O ATOM 7 C2' DA A 1 -0.396 -7.665 -7.021 1.00 0.00 C ATOM 8 C1' DA A 1 -0.088 -6.819 -8.254 1.00 0.00 C ATOM 9 N9 DA A 1 -0.487 -5.396 -8.121 1.00 0.00 N ATOM 10 C8 DA A 1 -1.723 -4.876 -7.817 1.00 0.00 C ATOM 11 N7 DA A 1 -1.767 -3.573 -7.777 1.00 0.00 N ATOM 12 C5 DA A 1 -0.466 -3.193 -8.078 1.00 0.00 C ATOM 13 C6 DA A 1 0.160 -1.935 -8.208 1.00 0.00 C ATOM 14 N6 DA A 1 -0.475 -0.770 -8.053 1.00 0.00 N ATOM 15 N1 DA A 1 1.469 -1.902 -8.515 1.00 0.00 N ATOM 16 C2 DA A 1 2.125 -3.043 -8.684 1.00 0.00 C ATOM 17 N3 DA A 1 1.658 -4.288 -8.593 1.00 0.00 N ATOM 18 C4 DA A 1 0.329 -4.297 -8.285 1.00 0.00 C ATOM 0 H5' DA A 1 -1.980 -9.368 -10.797 1.00 0.00 H new ATOM 0 H5'' DA A 1 -1.921 -10.592 -9.544 1.00 0.00 H new ATOM 0 H4' DA A 1 0.091 -9.249 -9.608 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.464 -9.555 -7.111 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.282 -7.304 -6.499 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.426 -7.644 -6.306 1.00 0.00 H new ATOM 0 HO5' DA A 1 -3.099 -8.059 -9.002 1.00 0.00 H new ATOM 0 H1' DA A 1 0.986 -6.797 -8.438 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.587 -5.496 -7.627 1.00 0.00 H new ATOM 0 H61 DA A 1 0.035 0.107 -8.160 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.470 -0.757 -7.827 1.00 0.00 H new ATOM 0 H2 DA A 1 3.173 -2.951 -8.927 1.00 0.00 H new ATOM 31 P DG A 2 0.905 -10.437 -5.873 1.00 0.00 P ATOM 32 OP1 DG A 2 1.539 -11.770 -5.983 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.240 -10.241 -4.955 1.00 0.00 O ATOM 34 O5' DG A 2 2.046 -9.366 -5.488 1.00 0.00 O ATOM 35 C5' DG A 2 3.289 -9.342 -6.164 1.00 0.00 C ATOM 36 C4' DG A 2 4.086 -8.109 -5.736 1.00 0.00 C ATOM 37 O4' DG A 2 3.382 -6.936 -6.106 1.00 0.00 O ATOM 38 C3' DG A 2 4.327 -8.051 -4.218 1.00 0.00 C ATOM 39 O3' DG A 2 5.723 -7.955 -3.983 1.00 0.00 O ATOM 40 C2' DG A 2 3.565 -6.785 -3.805 1.00 0.00 C ATOM 41 C1' DG A 2 3.596 -5.984 -5.089 1.00 0.00 C ATOM 42 N9 DG A 2 2.540 -4.955 -5.068 1.00 0.00 N ATOM 43 C8 DG A 2 1.199 -5.124 -4.859 1.00 0.00 C ATOM 44 N7 DG A 2 0.507 -4.020 -4.895 1.00 0.00 N ATOM 45 C5 DG A 2 1.464 -3.044 -5.147 1.00 0.00 C ATOM 46 C6 DG A 2 1.320 -1.631 -5.283 1.00 0.00 C ATOM 47 O6 DG A 2 0.290 -0.970 -5.201 1.00 0.00 O ATOM 48 N1 DG A 2 2.539 -0.997 -5.534 1.00 0.00 N ATOM 49 C2 DG A 2 3.756 -1.653 -5.641 1.00 0.00 C ATOM 50 N2 DG A 2 4.840 -0.906 -5.884 1.00 0.00 N ATOM 51 N3 DG A 2 3.888 -2.980 -5.507 1.00 0.00 N ATOM 52 C4 DG A 2 2.711 -3.611 -5.260 1.00 0.00 C ATOM 0 H5' DG A 2 3.127 -9.326 -7.242 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.853 -10.247 -5.940 1.00 0.00 H new ATOM 0 H4' DG A 2 5.052 -8.175 -6.236 1.00 0.00 H new ATOM 0 H3' DG A 2 3.990 -8.922 -3.656 1.00 0.00 H new ATOM 0 H2' DG A 2 2.547 -7.005 -3.483 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.053 -6.262 -2.983 1.00 0.00 H new ATOM 0 H1' DG A 2 4.534 -5.449 -5.238 1.00 0.00 H new ATOM 0 H8 DG A 2 0.751 -6.090 -4.679 1.00 0.00 H new ATOM 0 H1 DG A 2 2.534 0.017 -5.646 1.00 0.00 H new ATOM 0 H21 DG A 2 5.755 -1.348 -5.970 1.00 0.00 H new ATOM 0 H22 DG A 2 4.751 0.105 -5.983 1.00 0.00 H new ATOM 64 P DA A 3 6.355 -7.840 -2.497 1.00 0.00 P ATOM 65 OP1 DA A 3 7.754 -8.318 -2.551 1.00 0.00 O ATOM 66 OP2 DA A 3 5.409 -8.438 -1.529 1.00 0.00 O ATOM 67 O5' DA A 3 6.373 -6.246 -2.265 1.00 0.00 O ATOM 68 C5' DA A 3 7.183 -5.403 -3.060 1.00 0.00 C ATOM 69 C4' DA A 3 6.879 -3.936 -2.759 1.00 0.00 C ATOM 70 O4' DA A 3 5.548 -3.586 -3.075 1.00 0.00 O ATOM 71 C3' DA A 3 7.099 -3.531 -1.296 1.00 0.00 C ATOM 72 O3' DA A 3 8.357 -2.888 -1.187 1.00 0.00 O ATOM 73 C2' DA A 3 5.879 -2.648 -1.001 1.00 0.00 C ATOM 74 C1' DA A 3 5.300 -2.383 -2.380 1.00 0.00 C ATOM 75 N9 DA A 3 3.853 -2.128 -2.251 1.00 0.00 N ATOM 76 C8 DA A 3 2.860 -3.025 -1.954 1.00 0.00 C ATOM 77 N7 DA A 3 1.672 -2.493 -1.909 1.00 0.00 N ATOM 78 C5 DA A 3 1.887 -1.149 -2.186 1.00 0.00 C ATOM 79 C6 DA A 3 1.028 -0.031 -2.289 1.00 0.00 C ATOM 80 N6 DA A 3 -0.296 -0.097 -2.118 1.00 0.00 N ATOM 81 N1 DA A 3 1.571 1.167 -2.575 1.00 0.00 N ATOM 82 C2 DA A 3 2.886 1.252 -2.748 1.00 0.00 C ATOM 83 N3 DA A 3 3.799 0.286 -2.682 1.00 0.00 N ATOM 84 C4 DA A 3 3.224 -0.914 -2.395 1.00 0.00 C ATOM 0 H5' DA A 3 7.007 -5.609 -4.116 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.235 -5.610 -2.866 1.00 0.00 H new ATOM 0 H4' DA A 3 7.591 -3.405 -3.391 1.00 0.00 H new ATOM 0 H3' DA A 3 7.153 -4.342 -0.570 1.00 0.00 H new ATOM 0 H2' DA A 3 5.163 -3.154 -0.354 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.163 -1.723 -0.499 1.00 0.00 H new ATOM 0 H1' DA A 3 5.729 -1.520 -2.888 1.00 0.00 H new ATOM 0 H8 DA A 3 3.045 -4.074 -1.774 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.864 0.746 -2.205 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.738 -0.990 -1.900 1.00 0.00 H new ATOM 0 H2 DA A 3 3.265 2.238 -2.972 1.00 0.00 H new ATOM 96 P DA A 4 8.945 -2.362 0.222 1.00 0.00 P ATOM 97 OP1 DA A 4 10.389 -2.093 0.051 1.00 0.00 O ATOM 98 OP2 DA A 4 8.484 -3.264 1.301 1.00 0.00 O ATOM 99 O5' DA A 4 8.185 -0.954 0.383 1.00 0.00 O ATOM 100 C5' DA A 4 8.356 0.089 -0.557 1.00 0.00 C ATOM 101 C4' DA A 4 7.369 1.218 -0.262 1.00 0.00 C ATOM 102 O4' DA A 4 6.027 0.862 -0.553 1.00 0.00 O ATOM 103 C3' DA A 4 7.418 1.679 1.202 1.00 0.00 C ATOM 104 O3' DA A 4 8.003 2.966 1.309 1.00 0.00 O ATOM 105 C2' DA A 4 5.942 1.651 1.581 1.00 0.00 C ATOM 106 C1' DA A 4 5.223 1.697 0.253 1.00 0.00 C ATOM 107 N9 DA A 4 3.871 1.158 0.473 1.00 0.00 N ATOM 108 C8 DA A 4 3.509 -0.126 0.776 1.00 0.00 C ATOM 109 N7 DA A 4 2.227 -0.299 0.914 1.00 0.00 N ATOM 110 C5 DA A 4 1.696 0.963 0.693 1.00 0.00 C ATOM 111 C6 DA A 4 0.380 1.466 0.691 1.00 0.00 C ATOM 112 N6 DA A 4 -0.692 0.698 0.925 1.00 0.00 N ATOM 113 N1 DA A 4 0.209 2.780 0.434 1.00 0.00 N ATOM 114 C2 DA A 4 1.274 3.543 0.196 1.00 0.00 C ATOM 115 N3 DA A 4 2.554 3.190 0.168 1.00 0.00 N ATOM 116 C4 DA A 4 2.698 1.864 0.425 1.00 0.00 C ATOM 0 H5' DA A 4 8.198 -0.290 -1.567 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.378 0.466 -0.514 1.00 0.00 H new ATOM 0 H4' DA A 4 7.685 2.030 -0.916 1.00 0.00 H new ATOM 0 H3' DA A 4 8.032 1.063 1.859 1.00 0.00 H new ATOM 0 H2' DA A 4 5.690 0.750 2.140 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.675 2.501 2.209 1.00 0.00 H new ATOM 0 H1' DA A 4 5.097 2.679 -0.202 1.00 0.00 H new ATOM 0 H8 DA A 4 4.225 -0.926 0.891 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.626 1.108 0.913 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.575 -0.297 1.115 1.00 0.00 H new ATOM 0 H2 DA A 4 1.070 4.585 0.000 1.00 0.00 H new ATOM 128 P DG A 5 8.334 3.646 2.744 1.00 0.00 P ATOM 129 OP1 DG A 5 9.451 4.598 2.551 1.00 0.00 O ATOM 130 OP2 DG A 5 8.454 2.576 3.760 1.00 0.00 O ATOM 131 O5' DG A 5 7.004 4.494 3.075 1.00 0.00 O ATOM 132 C5' DG A 5 6.688 5.672 2.360 1.00 0.00 C ATOM 133 C4' DG A 5 5.348 6.230 2.840 1.00 0.00 C ATOM 134 O4' DG A 5 4.317 5.290 2.602 1.00 0.00 O ATOM 135 C3' DG A 5 5.321 6.570 4.341 1.00 0.00 C ATOM 136 O3' DG A 5 5.054 7.957 4.479 1.00 0.00 O ATOM 137 C2' DG A 5 4.198 5.678 4.869 1.00 0.00 C ATOM 138 C1' DG A 5 3.358 5.477 3.617 1.00 0.00 C ATOM 139 N9 DG A 5 2.489 4.289 3.726 1.00 0.00 N ATOM 140 C8 DG A 5 2.845 2.988 3.971 1.00 0.00 C ATOM 141 N7 DG A 5 1.842 2.162 4.006 1.00 0.00 N ATOM 142 C5 DG A 5 0.734 2.963 3.778 1.00 0.00 C ATOM 143 C6 DG A 5 -0.647 2.613 3.703 1.00 0.00 C ATOM 144 O6 DG A 5 -1.151 1.497 3.818 1.00 0.00 O ATOM 145 N1 DG A 5 -1.453 3.728 3.466 1.00 0.00 N ATOM 146 C2 DG A 5 -0.981 5.025 3.321 1.00 0.00 C ATOM 147 N2 DG A 5 -1.885 5.990 3.119 1.00 0.00 N ATOM 148 N3 DG A 5 0.320 5.346 3.389 1.00 0.00 N ATOM 149 C4 DG A 5 1.121 4.272 3.613 1.00 0.00 C ATOM 0 H5' DG A 5 6.641 5.458 1.292 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.473 6.415 2.502 1.00 0.00 H new ATOM 0 H4' DG A 5 5.199 7.152 2.278 1.00 0.00 H new ATOM 0 H3' DG A 5 6.248 6.393 4.886 1.00 0.00 H new ATOM 0 H2' DG A 5 4.575 4.735 5.266 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.634 6.158 5.669 1.00 0.00 H new ATOM 0 H1' DG A 5 2.687 6.316 3.433 1.00 0.00 H new ATOM 0 H8 DG A 5 3.868 2.677 4.122 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.460 3.579 3.394 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.582 6.957 3.007 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.877 5.758 3.077 1.00 0.00 H new ATOM 161 P DA A 6 4.894 8.682 5.915 1.00 0.00 P ATOM 162 OP1 DA A 6 5.250 10.110 5.753 1.00 0.00 O ATOM 163 OP2 DA A 6 5.584 7.866 6.939 1.00 0.00 O ATOM 164 O5' DA A 6 3.305 8.584 6.177 1.00 0.00 O ATOM 165 C5' DA A 6 2.380 9.307 5.385 1.00 0.00 C ATOM 166 C4' DA A 6 0.951 8.987 5.829 1.00 0.00 C ATOM 167 O4' DA A 6 0.658 7.623 5.570 1.00 0.00 O ATOM 168 C3' DA A 6 0.740 9.224 7.333 1.00 0.00 C ATOM 169 O3' DA A 6 -0.432 9.985 7.549 1.00 0.00 O ATOM 170 C2' DA A 6 0.544 7.812 7.873 1.00 0.00 C ATOM 171 C1' DA A 6 -0.096 7.147 6.663 1.00 0.00 C ATOM 172 N9 DA A 6 -0.061 5.680 6.771 1.00 0.00 N ATOM 173 C8 DA A 6 0.972 4.799 6.973 1.00 0.00 C ATOM 174 N7 DA A 6 0.593 3.550 7.009 1.00 0.00 N ATOM 175 C5 DA A 6 -0.785 3.606 6.822 1.00 0.00 C ATOM 176 C6 DA A 6 -1.816 2.642 6.754 1.00 0.00 C ATOM 177 N6 DA A 6 -1.592 1.329 6.874 1.00 0.00 N ATOM 178 N1 DA A 6 -3.083 3.076 6.556 1.00 0.00 N ATOM 179 C2 DA A 6 -3.302 4.386 6.436 1.00 0.00 C ATOM 180 N3 DA A 6 -2.432 5.374 6.481 1.00 0.00 N ATOM 181 C4 DA A 6 -1.177 4.908 6.678 1.00 0.00 C ATOM 0 H5' DA A 6 2.509 9.050 4.334 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.568 10.377 5.477 1.00 0.00 H new ATOM 0 H4' DA A 6 0.295 9.652 5.267 1.00 0.00 H new ATOM 0 H3' DA A 6 1.560 9.766 7.804 1.00 0.00 H new ATOM 0 H2' DA A 6 1.485 7.341 8.157 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.102 7.788 8.751 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.557 10.128 8.510 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.154 7.388 6.562 1.00 0.00 H new ATOM 0 H8 DA A 6 2.000 5.109 7.091 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.370 0.672 6.818 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.643 0.985 7.022 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.331 4.676 6.281 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -10.949 -1.627 8.110 1.00 0.00 O ATOM 196 C5' DT B 7 -11.097 -1.303 6.745 1.00 0.00 C ATOM 197 C4' DT B 7 -10.968 0.212 6.553 1.00 0.00 C ATOM 198 O4' DT B 7 -9.672 0.638 6.950 1.00 0.00 O ATOM 199 C3' DT B 7 -11.137 0.598 5.080 1.00 0.00 C ATOM 200 O3' DT B 7 -11.761 1.870 5.015 1.00 0.00 O ATOM 201 C2' DT B 7 -9.694 0.592 4.597 1.00 0.00 C ATOM 202 C1' DT B 7 -8.959 1.115 5.821 1.00 0.00 C ATOM 203 N1 DT B 7 -7.544 0.657 5.878 1.00 0.00 N ATOM 204 C2 DT B 7 -6.523 1.600 6.029 1.00 0.00 C ATOM 205 O2 DT B 7 -6.730 2.809 6.110 1.00 0.00 O ATOM 206 N3 DT B 7 -5.226 1.096 6.076 1.00 0.00 N ATOM 207 C4 DT B 7 -4.864 -0.245 5.987 1.00 0.00 C ATOM 208 O4 DT B 7 -3.683 -0.578 6.047 1.00 0.00 O ATOM 209 C5 DT B 7 -5.982 -1.155 5.831 1.00 0.00 C ATOM 210 C7 DT B 7 -5.715 -2.644 5.723 1.00 0.00 C ATOM 211 C6 DT B 7 -7.254 -0.685 5.784 1.00 0.00 C ATOM 0 H5' DT B 7 -12.068 -1.643 6.385 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.339 -1.819 6.155 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.744 0.684 7.155 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.765 -0.053 4.472 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.361 -0.407 4.315 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.550 1.234 3.728 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.034 -2.596 8.227 1.00 0.00 H new ATOM 0 H1' DT B 7 -8.920 2.204 5.788 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.471 1.773 6.186 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.561 -3.196 6.133 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.579 -2.914 4.676 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.813 -2.893 6.282 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.066 -1.388 5.669 1.00 0.00 H new ATOM 225 P DC B 8 -12.220 2.540 3.618 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.392 3.404 3.882 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.306 1.482 2.587 1.00 0.00 O ATOM 228 O5' DC B 8 -10.965 3.482 3.260 1.00 0.00 O ATOM 229 C5' DC B 8 -10.796 4.753 3.859 1.00 0.00 C ATOM 230 C4' DC B 8 -9.466 5.356 3.405 1.00 0.00 C ATOM 231 O4' DC B 8 -8.394 4.556 3.851 1.00 0.00 O ATOM 232 C3' DC B 8 -9.332 5.451 1.880 1.00 0.00 C ATOM 233 O3' DC B 8 -9.679 6.763 1.461 1.00 0.00 O ATOM 234 C2' DC B 8 -7.859 5.096 1.644 1.00 0.00 C ATOM 235 C1' DC B 8 -7.284 4.853 3.032 1.00 0.00 C ATOM 236 N1 DC B 8 -6.371 3.685 3.013 1.00 0.00 N ATOM 237 C2 DC B 8 -5.029 3.839 3.351 1.00 0.00 C ATOM 238 O2 DC B 8 -4.570 4.948 3.610 1.00 0.00 O ATOM 239 N3 DC B 8 -4.231 2.733 3.329 1.00 0.00 N ATOM 240 C4 DC B 8 -4.713 1.524 2.996 1.00 0.00 C ATOM 241 N4 DC B 8 -3.877 0.477 2.996 1.00 0.00 N ATOM 242 C5 DC B 8 -6.098 1.352 2.641 1.00 0.00 C ATOM 243 C6 DC B 8 -6.877 2.460 2.667 1.00 0.00 C ATOM 0 H5' DC B 8 -10.814 4.661 4.945 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.620 5.411 3.581 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.441 6.359 3.830 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.989 4.793 1.311 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.762 4.210 1.016 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.335 5.905 1.136 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.720 5.716 3.386 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.221 -0.450 2.747 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.897 0.607 3.245 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.496 0.386 2.367 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.922 2.375 2.409 1.00 0.00 H new ATOM 255 P DT B 9 -9.673 7.222 -0.092 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.429 8.489 -0.198 1.00 0.00 O ATOM 257 OP2 DT B 9 -10.063 6.063 -0.926 1.00 0.00 O ATOM 258 O5' DT B 9 -8.117 7.544 -0.378 1.00 0.00 O ATOM 259 C5' DT B 9 -7.441 8.591 0.294 1.00 0.00 C ATOM 260 C4' DT B 9 -5.933 8.489 0.040 1.00 0.00 C ATOM 261 O4' DT B 9 -5.412 7.273 0.542 1.00 0.00 O ATOM 262 C3' DT B 9 -5.568 8.563 -1.447 1.00 0.00 C ATOM 263 O3' DT B 9 -5.047 9.855 -1.711 1.00 0.00 O ATOM 264 C2' DT B 9 -4.583 7.407 -1.619 1.00 0.00 C ATOM 265 C1' DT B 9 -4.254 6.959 -0.203 1.00 0.00 C ATOM 266 N1 DT B 9 -3.998 5.495 -0.209 1.00 0.00 N ATOM 267 C2 DT B 9 -2.716 5.016 0.058 1.00 0.00 C ATOM 268 O2 DT B 9 -1.750 5.753 0.246 1.00 0.00 O ATOM 269 N3 DT B 9 -2.563 3.635 0.032 1.00 0.00 N ATOM 270 C4 DT B 9 -3.562 2.702 -0.238 1.00 0.00 C ATOM 271 O4 DT B 9 -3.317 1.500 -0.197 1.00 0.00 O ATOM 272 C5 DT B 9 -4.861 3.288 -0.514 1.00 0.00 C ATOM 273 C7 DT B 9 -6.042 2.395 -0.839 1.00 0.00 C ATOM 274 C6 DT B 9 -5.030 4.631 -0.489 1.00 0.00 C ATOM 0 H5' DT B 9 -7.642 8.537 1.364 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.812 9.556 -0.052 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.499 9.345 0.557 1.00 0.00 H new ATOM 0 H3' DT B 9 -6.387 8.450 -2.157 1.00 0.00 H new ATOM 0 H2' DT B 9 -5.024 6.595 -2.198 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.687 7.727 -2.150 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.369 7.439 0.214 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.631 3.270 0.229 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.962 2.872 -0.503 1.00 0.00 H new ATOM 0 H72 DT B 9 -6.090 2.232 -1.916 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.924 1.437 -0.332 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11 4.791 8.210 -5.100 1.00 0.00 C ATOM 324 C4' DC B 11 5.153 6.813 -5.612 1.00 0.00 C ATOM 325 O4' DC B 11 4.320 5.820 -5.040 1.00 0.00 O ATOM 326 C3' DC B 11 5.039 6.652 -7.133 1.00 0.00 C ATOM 327 O3' DC B 11 6.251 7.006 -7.784 1.00 0.00 O ATOM 328 C2' DC B 11 4.730 5.175 -7.222 1.00 0.00 C ATOM 329 C1' DC B 11 4.440 4.655 -5.837 1.00 0.00 C ATOM 330 N1 DC B 11 3.156 3.897 -5.865 1.00 0.00 N ATOM 331 C2 DC B 11 3.148 2.521 -5.654 1.00 0.00 C ATOM 332 O2 DC B 11 4.199 1.904 -5.502 1.00 0.00 O ATOM 333 N3 DC B 11 1.944 1.872 -5.681 1.00 0.00 N ATOM 334 C4 DC B 11 0.790 2.527 -5.894 1.00 0.00 C ATOM 335 N4 DC B 11 -0.359 1.838 -5.905 1.00 0.00 N ATOM 336 C5 DC B 11 0.783 3.945 -6.124 1.00 0.00 C ATOM 337 C6 DC B 11 1.982 4.565 -6.095 1.00 0.00 C ATOM 0 H5' DC B 11 4.810 8.219 -4.010 1.00 0.00 H new ATOM 0 H5'' DC B 11 5.536 8.930 -5.438 1.00 0.00 H new ATOM 0 H4' DC B 11 6.195 6.690 -5.318 1.00 0.00 H new ATOM 0 H3' DC B 11 4.300 7.289 -7.618 1.00 0.00 H new ATOM 0 H2' DC B 11 3.874 5.007 -7.875 1.00 0.00 H new ATOM 0 H2'' DC B 11 5.573 4.639 -7.658 1.00 0.00 H new ATOM 0 H1' DC B 11 5.208 3.983 -5.455 1.00 0.00 H new ATOM 0 H41 DC B 11 -1.242 2.322 -6.065 1.00 0.00 H new ATOM 0 H42 DC B 11 -0.350 0.829 -5.753 1.00 0.00 H new ATOM 0 H5 DC B 11 -0.133 4.486 -6.310 1.00 0.00 H new ATOM 0 H6 DC B 11 2.017 5.632 -6.260 1.00 0.00 H new ATOM 349 P DT B 12 6.455 6.885 -9.390 1.00 0.00 P ATOM 350 OP1 DT B 12 7.678 7.637 -9.747 1.00 0.00 O ATOM 351 OP2 DT B 12 5.172 7.228 -10.044 1.00 0.00 O ATOM 352 O5' DT B 12 6.742 5.314 -9.659 1.00 0.00 O ATOM 353 C5' DT B 12 7.887 4.662 -9.140 1.00 0.00 C ATOM 354 C4' DT B 12 7.847 3.158 -9.448 1.00 0.00 C ATOM 355 O4' DT B 12 6.665 2.590 -8.902 1.00 0.00 O ATOM 356 C3' DT B 12 7.852 2.862 -10.954 1.00 0.00 C ATOM 357 O3' DT B 12 8.659 1.735 -11.228 1.00 0.00 O ATOM 358 C2' DT B 12 6.391 2.537 -11.238 1.00 0.00 C ATOM 359 C1' DT B 12 5.972 1.885 -9.917 1.00 0.00 C ATOM 360 N1 DT B 12 4.496 1.920 -9.668 1.00 0.00 N ATOM 361 C2 DT B 12 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H73 DT B 12 0.770 4.435 -9.144 1.00 0.00 H new ATOM 0 H6 DT B 12 4.268 3.986 -10.124 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -10.347 -0.934 -9.333 1.00 0.00 O ATOM 384 C5' DT C 13 -10.239 -0.946 -7.927 1.00 0.00 C ATOM 385 C4' DT C 13 -9.557 -2.241 -7.468 1.00 0.00 C ATOM 386 O4' DT C 13 -8.230 -2.287 -7.973 1.00 0.00 O ATOM 387 C3' DT C 13 -9.451 -2.305 -5.942 1.00 0.00 C ATOM 388 O3' DT C 13 -9.595 -3.655 -5.532 1.00 0.00 O ATOM 389 C2' DT C 13 -8.081 -1.726 -5.700 1.00 0.00 C ATOM 390 C1' DT C 13 -7.323 -2.319 -6.886 1.00 0.00 C ATOM 391 N1 DT C 13 -6.122 -1.508 -7.192 1.00 0.00 N ATOM 392 C2 DT C 13 -4.872 -2.125 -7.258 1.00 0.00 C ATOM 393 O2 DT C 13 -4.711 -3.333 -7.097 1.00 0.00 O ATOM 394 N3 DT C 13 -3.795 -1.293 -7.543 1.00 0.00 N ATOM 395 C4 DT C 13 -3.866 0.083 -7.760 1.00 0.00 C ATOM 396 O4 DT C 13 -2.849 0.739 -7.967 1.00 0.00 O ATOM 397 C5 DT C 13 -5.206 0.638 -7.680 1.00 0.00 C ATOM 398 C7 DT C 13 -5.410 2.122 -7.903 1.00 0.00 C ATOM 399 C6 DT C 13 -6.267 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ATOM 0 H2' DC C 14 -5.821 -5.662 -2.142 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.846 -7.117 -2.083 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.235 -6.982 -4.316 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.168 -0.381 -4.316 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.620 -1.164 -4.651 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.218 -1.650 -3.907 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.187 -3.890 -3.763 1.00 0.00 H new ATOM 443 P DT C 15 -6.404 -9.574 -1.447 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.552 -11.026 -1.689 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.280 -8.905 -0.459 1.00 0.00 O ATOM 446 O5' DT C 15 -4.872 -9.290 -1.029 1.00 0.00 O ATOM 447 C5' DT C 15 -3.792 -9.977 -1.630 1.00 0.00 C ATOM 448 C4' DT C 15 -2.476 -9.246 -1.346 1.00 0.00 C ATOM 449 O4' DT C 15 -2.431 -7.995 -2.014 1.00 0.00 O ATOM 450 C3' DT C 15 -2.235 -8.941 0.138 1.00 0.00 C ATOM 451 O3' DT C 15 -1.547 -9.998 0.796 1.00 0.00 O ATOM 452 C2' DT C 15 -1.342 -7.724 0.007 1.00 0.00 C ATOM 453 C1' DT C 15 -1.383 -7.247 -1.427 1.00 0.00 C ATOM 454 N1 DT C 15 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1.00 0.00 H new ATOM 0 H73 DT C 15 -4.948 -4.307 0.314 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.638 -6.057 -0.648 1.00 0.00 H new ATOM 475 P DT C 16 -1.063 -9.913 2.351 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.634 -11.270 2.757 1.00 0.00 O ATOM 477 OP2 DT C 16 -2.134 -9.235 3.115 1.00 0.00 O ATOM 478 O5' DT C 16 0.248 -8.950 2.394 1.00 0.00 O ATOM 479 C5' DT C 16 1.500 -9.327 1.835 1.00 0.00 C ATOM 480 C4' DT C 16 2.513 -8.169 1.924 1.00 0.00 C ATOM 481 O4' DT C 16 1.970 -7.016 1.312 1.00 0.00 O ATOM 482 C3' DT C 16 2.893 -7.793 3.364 1.00 0.00 C ATOM 483 O3' DT C 16 4.227 -8.196 3.648 1.00 0.00 O ATOM 484 C2' DT C 16 2.741 -6.272 3.398 1.00 0.00 C ATOM 485 C1' DT C 16 2.454 -5.853 1.959 1.00 0.00 C ATOM 486 N1 DT C 16 1.385 -4.824 1.900 1.00 0.00 N ATOM 487 C2 DT C 16 1.653 -3.566 1.375 1.00 0.00 C ATOM 488 O2 DT C 16 2.773 -3.226 1.005 1.00 0.00 O ATOM 489 N3 DT C 16 0.579 -2.680 1.344 1.00 0.00 N ATOM 490 C4 DT C 16 -0.725 -2.947 1.776 1.00 0.00 C ATOM 491 O4 DT C 16 -1.590 -2.078 1.701 1.00 0.00 O ATOM 492 C5 DT C 16 -0.911 -4.287 2.321 1.00 0.00 C ATOM 493 C7 DT C 16 -2.272 -4.762 2.834 1.00 0.00 C ATOM 494 C6 DT C 16 0.136 -5.145 2.353 1.00 0.00 C ATOM 0 H5' DT C 16 1.365 -9.618 0.793 1.00 0.00 H new ATOM 0 H5'' DT C 16 1.890 -10.198 2.361 1.00 0.00 H new ATOM 0 H4' DT C 16 3.413 -8.519 1.418 1.00 0.00 H new ATOM 0 H3' DT C 16 2.273 -8.283 4.115 1.00 0.00 H new ATOM 0 H2' DT C 16 1.929 -5.974 4.062 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.648 -5.796 3.771 1.00 0.00 H new ATOM 0 H1' DT C 16 3.352 -5.439 1.500 1.00 0.00 H new ATOM 0 H3 DT C 16 0.760 -1.748 0.971 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.358 -5.840 2.694 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.364 -4.526 3.894 1.00 0.00 H new ATOM 0 H73 DT C 16 -3.065 -4.260 2.280 1.00 0.00 H new ATOM 0 H6 DT C 16 -0.024 -6.134 2.757 1.00 0.00 H new ATOM 507 P DC C 17 4.903 -8.029 5.117 1.00 0.00 P ATOM 508 OP1 DC C 17 6.126 -8.862 5.150 1.00 0.00 O ATOM 509 OP2 DC C 17 3.851 -8.244 6.136 1.00 0.00 O ATOM 510 O5' DC C 17 5.357 -6.476 5.194 1.00 0.00 O ATOM 511 C5' DC C 17 6.444 -5.977 4.436 1.00 0.00 C ATOM 512 C4' DC C 17 6.491 -4.444 4.487 1.00 0.00 C ATOM 513 O4' DC C 17 5.370 -3.864 3.839 1.00 0.00 O ATOM 514 C3' DC C 17 6.561 -3.864 5.909 1.00 0.00 C ATOM 515 O3' DC C 17 7.911 -3.556 6.222 1.00 0.00 O ATOM 516 C2' DC C 17 5.667 -2.647 5.782 1.00 0.00 C ATOM 517 C1' DC C 17 5.196 -2.549 4.339 1.00 0.00 C ATOM 518 N1 DC C 17 3.753 -2.185 4.394 1.00 0.00 N ATOM 519 C2 DC C 17 3.289 -0.931 4.008 1.00 0.00 C ATOM 520 O2 DC C 17 4.069 -0.049 3.666 1.00 0.00 O ATOM 521 N3 DC C 17 1.944 -0.691 4.098 1.00 0.00 N ATOM 522 C4 DC C 17 1.075 -1.618 4.544 1.00 0.00 C ATOM 523 N4 DC C 17 -0.228 -1.308 4.603 1.00 0.00 N ATOM 524 C5 DC C 17 1.559 -2.911 4.955 1.00 0.00 C ATOM 525 C6 DC C 17 2.873 -3.116 4.852 1.00 0.00 C ATOM 0 H5' DC C 17 6.353 -6.308 3.401 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.378 -6.386 4.820 1.00 0.00 H new ATOM 0 H4' DC C 17 7.415 -4.190 3.968 1.00 0.00 H new ATOM 0 H3' DC C 17 6.238 -4.522 6.716 1.00 0.00 H new ATOM 0 H2' DC C 17 4.814 -2.731 6.455 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.210 -1.746 6.066 1.00 0.00 H new ATOM 0 H1' DC C 17 5.720 -1.819 3.721 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.901 -1.997 4.938 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.546 -0.383 4.313 1.00 0.00 H new ATOM 0 H5 DC C 17 0.892 -3.675 5.327 1.00 0.00 H new ATOM 0 H6 DC C 17 3.262 -4.079 5.150 1.00 0.00 H new ATOM 537 P DT C 18 8.389 -3.101 7.701 1.00 0.00 P ATOM 538 OP1 DT C 18 9.867 -3.158 7.739 1.00 0.00 O ATOM 539 OP2 DT C 18 7.604 -3.860 8.701 1.00 0.00 O ATOM 540 O5' DT C 18 7.947 -1.552 7.798 1.00 0.00 O ATOM 541 C5' DT C 18 8.569 -0.548 7.018 1.00 0.00 C ATOM 542 C4' DT C 18 7.890 0.801 7.276 1.00 0.00 C ATOM 543 O4' DT C 18 6.531 0.729 6.869 1.00 0.00 O ATOM 544 C3' DT C 18 7.911 1.172 8.767 1.00 0.00 C ATOM 545 O3' DT C 18 8.185 2.550 8.927 1.00 0.00 O ATOM 546 C2' DT C 18 6.486 0.860 9.209 1.00 0.00 C ATOM 547 C1' DT C 18 5.723 1.202 7.927 1.00 0.00 C ATOM 548 N1 DT C 18 4.331 0.661 7.852 1.00 0.00 N ATOM 549 C2 DT C 18 3.339 1.524 7.376 1.00 0.00 C ATOM 550 O2 DT C 18 3.566 2.674 7.005 1.00 0.00 O ATOM 551 N3 DT C 18 2.048 1.016 7.319 1.00 0.00 N ATOM 552 C4 DT C 18 1.656 -0.260 7.698 1.00 0.00 C ATOM 553 O4 DT C 18 0.479 -0.601 7.607 1.00 0.00 O ATOM 554 C5 DT C 18 2.737 -1.102 8.177 1.00 0.00 C ATOM 555 C7 DT C 18 2.407 -2.514 8.628 1.00 0.00 C ATOM 556 C6 DT C 18 4.013 -0.629 8.240 1.00 0.00 C ATOM 0 H5' DT C 18 8.503 -0.803 5.960 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.629 -0.486 7.266 1.00 0.00 H new ATOM 0 H4' DT C 18 8.437 1.556 6.712 1.00 0.00 H new ATOM 0 H3' DT C 18 8.671 0.640 9.338 1.00 0.00 H new ATOM 0 H2' DT C 18 6.360 -0.182 9.502 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.170 1.469 10.056 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.194 2.773 9.881 1.00 0.00 H new ATOM 0 H1' DT C 18 5.560 2.279 7.882 1.00 0.00 H new ATOM 0 H3 DT C 18 1.321 1.638 6.966 1.00 0.00 H new ATOM 0 H71 DT C 18 3.264 -3.163 8.449 1.00 0.00 H new ATOM 0 H72 DT C 18 2.171 -2.510 9.692 1.00 0.00 H new ATOM 0 H73 DT C 18 1.549 -2.884 8.067 1.00 0.00 H new ATOM 0 H6 DT C 18 4.797 -1.278 8.602 1.00 0.00 H new TER 570 DT C 18