USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 147 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 Single : A 1 DG O5' : rot -38:sc= 0.0273 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.0106 (180deg=-0.0106) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.585 9.937 10.836 1.00 0.00 O ATOM 2 C5' DG A 1 -2.770 8.798 11.010 1.00 0.00 C ATOM 3 C4' DG A 1 -3.584 7.546 10.670 1.00 0.00 C ATOM 4 O4' DG A 1 -4.011 7.654 9.321 1.00 0.00 O ATOM 5 C3' DG A 1 -2.735 6.272 10.784 1.00 0.00 C ATOM 6 O3' DG A 1 -3.559 5.202 11.219 1.00 0.00 O ATOM 7 C2' DG A 1 -2.268 6.093 9.343 1.00 0.00 C ATOM 8 C1' DG A 1 -3.521 6.540 8.599 1.00 0.00 C ATOM 9 N9 DG A 1 -3.233 6.917 7.198 1.00 0.00 N ATOM 10 C8 DG A 1 -2.345 7.850 6.722 1.00 0.00 C ATOM 11 N7 DG A 1 -2.348 7.978 5.426 1.00 0.00 N ATOM 12 C5 DG A 1 -3.311 7.069 5.004 1.00 0.00 C ATOM 13 C6 DG A 1 -3.768 6.762 3.687 1.00 0.00 C ATOM 14 O6 DG A 1 -3.400 7.256 2.624 1.00 0.00 O ATOM 15 N1 DG A 1 -4.752 5.777 3.687 1.00 0.00 N ATOM 16 C2 DG A 1 -5.223 5.136 4.818 1.00 0.00 C ATOM 17 N2 DG A 1 -6.122 4.162 4.645 1.00 0.00 N ATOM 18 N3 DG A 1 -4.805 5.437 6.057 1.00 0.00 N ATOM 19 C4 DG A 1 -3.853 6.409 6.082 1.00 0.00 C ATOM 0 H5' DG A 1 -2.410 8.746 12.038 1.00 0.00 H new ATOM 0 H5'' DG A 1 -1.892 8.862 10.368 1.00 0.00 H new ATOM 0 H4' DG A 1 -4.419 7.478 11.367 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.909 6.314 11.495 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.401 6.710 9.107 1.00 0.00 H new ATOM 0 H2'' DG A 1 -1.996 5.062 9.118 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.156 9.814 10.049 1.00 0.00 H new ATOM 0 H1' DG A 1 -4.247 5.729 8.544 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.700 8.428 7.367 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.154 5.509 2.789 1.00 0.00 H new ATOM 0 H21 DG A 1 -6.495 3.663 5.453 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.435 3.918 3.705 1.00 0.00 H new ATOM 32 P DC A 2 -2.983 3.712 11.474 1.00 0.00 P ATOM 33 OP1 DC A 2 -3.778 3.094 12.559 1.00 0.00 O ATOM 34 OP2 DC A 2 -1.511 3.799 11.602 1.00 0.00 O ATOM 35 O5' DC A 2 -3.319 2.940 10.094 1.00 0.00 O ATOM 36 C5' DC A 2 -4.640 2.533 9.783 1.00 0.00 C ATOM 37 C4' DC A 2 -4.685 1.796 8.441 1.00 0.00 C ATOM 38 O4' DC A 2 -4.280 2.652 7.390 1.00 0.00 O ATOM 39 C3' DC A 2 -3.785 0.549 8.392 1.00 0.00 C ATOM 40 O3' DC A 2 -4.598 -0.602 8.216 1.00 0.00 O ATOM 41 C2' DC A 2 -2.881 0.823 7.187 1.00 0.00 C ATOM 42 C1' DC A 2 -3.694 1.842 6.393 1.00 0.00 C ATOM 43 N1 DC A 2 -2.847 2.666 5.489 1.00 0.00 N ATOM 44 C2 DC A 2 -2.997 2.546 4.105 1.00 0.00 C ATOM 45 O2 DC A 2 -3.730 1.693 3.606 1.00 0.00 O ATOM 46 N3 DC A 2 -2.301 3.398 3.300 1.00 0.00 N ATOM 47 C4 DC A 2 -1.466 4.315 3.814 1.00 0.00 C ATOM 48 N4 DC A 2 -0.835 5.154 2.987 1.00 0.00 N ATOM 49 C5 DC A 2 -1.264 4.427 5.230 1.00 0.00 C ATOM 50 C6 DC A 2 -1.976 3.590 6.018 1.00 0.00 C ATOM 0 H5' DC A 2 -5.294 3.404 9.746 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.020 1.883 10.572 1.00 0.00 H new ATOM 0 H4' DC A 2 -5.721 1.479 8.324 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.203 0.365 9.295 1.00 0.00 H new ATOM 0 H2' DC A 2 -1.912 1.222 7.488 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.688 -0.081 6.610 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.419 1.356 5.740 1.00 0.00 H new ATOM 0 H41 DC A 2 -0.197 5.856 3.362 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.991 5.092 1.981 1.00 0.00 H new ATOM 0 H5 DC A 2 -0.575 5.147 5.647 1.00 0.00 H new ATOM 0 H6 DC A 2 -1.858 3.648 7.090 1.00 0.00 H new ATOM 62 P DA A 3 -4.008 -2.108 8.298 1.00 0.00 P ATOM 63 OP1 DA A 3 -5.128 -3.017 8.626 1.00 0.00 O ATOM 64 OP2 DA A 3 -2.801 -2.094 9.155 1.00 0.00 O ATOM 65 O5' DA A 3 -3.543 -2.410 6.784 1.00 0.00 O ATOM 66 C5' DA A 3 -4.485 -2.720 5.775 1.00 0.00 C ATOM 67 C4' DA A 3 -3.798 -2.832 4.412 1.00 0.00 C ATOM 68 O4' DA A 3 -3.274 -1.573 4.028 1.00 0.00 O ATOM 69 C3' DA A 3 -2.639 -3.847 4.381 1.00 0.00 C ATOM 70 O3' DA A 3 -2.935 -4.856 3.428 1.00 0.00 O ATOM 71 C2' DA A 3 -1.447 -2.972 3.983 1.00 0.00 C ATOM 72 C1' DA A 3 -2.135 -1.833 3.241 1.00 0.00 C ATOM 73 N9 DA A 3 -1.283 -0.629 3.141 1.00 0.00 N ATOM 74 C8 DA A 3 -0.641 0.056 4.144 1.00 0.00 C ATOM 75 N7 DA A 3 0.011 1.111 3.743 1.00 0.00 N ATOM 76 C5 DA A 3 -0.217 1.131 2.373 1.00 0.00 C ATOM 77 C6 DA A 3 0.189 2.007 1.346 1.00 0.00 C ATOM 78 N6 DA A 3 0.953 3.080 1.569 1.00 0.00 N ATOM 79 N1 DA A 3 -0.210 1.747 0.088 1.00 0.00 N ATOM 80 C2 DA A 3 -0.970 0.681 -0.146 1.00 0.00 C ATOM 81 N3 DA A 3 -1.419 -0.216 0.728 1.00 0.00 N ATOM 82 C4 DA A 3 -1.002 0.071 1.992 1.00 0.00 C ATOM 0 H5' DA A 3 -5.254 -1.948 5.738 1.00 0.00 H new ATOM 0 H5'' DA A 3 -4.986 -3.658 6.014 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.570 -3.179 3.725 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.452 -4.379 5.314 1.00 0.00 H new ATOM 0 H2' DA A 3 -0.891 -2.618 4.851 1.00 0.00 H new ATOM 0 H2'' DA A 3 -0.741 -3.507 3.348 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.366 -2.098 2.209 1.00 0.00 H new ATOM 0 H8 DA A 3 -0.674 -0.254 5.178 1.00 0.00 H new ATOM 0 H61 DA A 3 1.221 3.685 0.793 1.00 0.00 H new ATOM 0 H62 DA A 3 1.268 3.294 2.515 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.259 0.524 -1.175 1.00 0.00 H new ATOM 94 P DT A 4 -1.913 -6.063 3.080 1.00 0.00 P ATOM 95 OP1 DT A 4 -2.711 -7.241 2.670 1.00 0.00 O ATOM 96 OP2 DT A 4 -0.929 -6.187 4.178 1.00 0.00 O ATOM 97 O5' DT A 4 -1.149 -5.494 1.778 1.00 0.00 O ATOM 98 C5' DT A 4 -1.843 -5.289 0.562 1.00 0.00 C ATOM 99 C4' DT A 4 -0.940 -4.614 -0.473 1.00 0.00 C ATOM 100 O4' DT A 4 -0.501 -3.355 0.004 1.00 0.00 O ATOM 101 C3' DT A 4 0.311 -5.427 -0.856 1.00 0.00 C ATOM 102 O3' DT A 4 0.207 -5.764 -2.232 1.00 0.00 O ATOM 103 C2' DT A 4 1.449 -4.449 -0.547 1.00 0.00 C ATOM 104 C1' DT A 4 0.739 -3.100 -0.616 1.00 0.00 C ATOM 105 N1 DT A 4 1.473 -2.016 0.093 1.00 0.00 N ATOM 106 C2 DT A 4 1.898 -0.901 -0.632 1.00 0.00 C ATOM 107 O2 DT A 4 1.699 -0.759 -1.836 1.00 0.00 O ATOM 108 N3 DT A 4 2.580 0.072 0.084 1.00 0.00 N ATOM 109 C4 DT A 4 2.841 0.054 1.445 1.00 0.00 C ATOM 110 O4 DT A 4 3.430 0.994 1.973 1.00 0.00 O ATOM 111 C5 DT A 4 2.355 -1.129 2.130 1.00 0.00 C ATOM 112 C7 DT A 4 2.593 -1.280 3.621 1.00 0.00 C ATOM 113 C6 DT A 4 1.702 -2.102 1.447 1.00 0.00 C ATOM 0 H5' DT A 4 -2.724 -4.672 0.740 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.197 -6.244 0.175 1.00 0.00 H new ATOM 0 H4' DT A 4 -1.560 -4.521 -1.364 1.00 0.00 H new ATOM 0 H3' DT A 4 0.456 -6.370 -0.330 1.00 0.00 H new ATOM 0 H2' DT A 4 1.886 -4.630 0.435 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.258 -4.522 -1.274 1.00 0.00 H new ATOM 0 H1' DT A 4 0.655 -2.741 -1.642 1.00 0.00 H new ATOM 0 H3 DT A 4 2.922 0.877 -0.441 1.00 0.00 H new ATOM 0 H71 DT A 4 1.783 -1.862 4.062 1.00 0.00 H new ATOM 0 H72 DT A 4 3.541 -1.792 3.788 1.00 0.00 H new ATOM 0 H73 DT A 4 2.626 -0.295 4.086 1.00 0.00 H new ATOM 0 H6 DT A 4 1.351 -2.972 1.983 1.00 0.00 H new ATOM 126 P DC A 5 1.362 -6.548 -3.051 1.00 0.00 P ATOM 127 OP1 DC A 5 0.724 -7.289 -4.162 1.00 0.00 O ATOM 128 OP2 DC A 5 2.223 -7.266 -2.085 1.00 0.00 O ATOM 129 O5' DC A 5 2.211 -5.326 -3.675 1.00 0.00 O ATOM 130 C5' DC A 5 1.684 -4.533 -4.722 1.00 0.00 C ATOM 131 C4' DC A 5 2.604 -3.344 -5.004 1.00 0.00 C ATOM 132 O4' DC A 5 2.917 -2.673 -3.797 1.00 0.00 O ATOM 133 C3' DC A 5 3.934 -3.730 -5.677 1.00 0.00 C ATOM 134 O3' DC A 5 3.975 -3.152 -6.974 1.00 0.00 O ATOM 135 C2' DC A 5 4.985 -3.126 -4.741 1.00 0.00 C ATOM 136 C1' DC A 5 4.176 -2.073 -3.994 1.00 0.00 C ATOM 137 N1 DC A 5 4.799 -1.618 -2.718 1.00 0.00 N ATOM 138 C2 DC A 5 5.372 -0.344 -2.679 1.00 0.00 C ATOM 139 O2 DC A 5 5.507 0.331 -3.695 1.00 0.00 O ATOM 140 N3 DC A 5 5.788 0.151 -1.480 1.00 0.00 N ATOM 141 C4 DC A 5 5.672 -0.564 -0.355 1.00 0.00 C ATOM 142 N4 DC A 5 6.075 -0.012 0.794 1.00 0.00 N ATOM 143 C5 DC A 5 5.126 -1.892 -0.371 1.00 0.00 C ATOM 144 C6 DC A 5 4.705 -2.369 -1.568 1.00 0.00 C ATOM 0 H5' DC A 5 0.690 -4.176 -4.452 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.572 -5.136 -5.623 1.00 0.00 H new ATOM 0 H4' DC A 5 2.049 -2.707 -5.693 1.00 0.00 H new ATOM 0 H3' DC A 5 4.085 -4.801 -5.815 1.00 0.00 H new ATOM 0 H2' DC A 5 5.407 -3.871 -4.066 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.817 -2.687 -5.291 1.00 0.00 H new ATOM 0 H1' DC A 5 4.113 -1.149 -4.569 1.00 0.00 H new ATOM 0 H41 DC A 5 5.998 -0.535 1.666 1.00 0.00 H new ATOM 0 H42 DC A 5 6.460 0.933 0.799 1.00 0.00 H new ATOM 0 H5 DC A 5 5.054 -2.484 0.530 1.00 0.00 H new ATOM 0 H6 DC A 5 4.285 -3.363 -1.621 1.00 0.00 H new ATOM 156 P DG A 6 5.093 -3.547 -8.076 1.00 0.00 P ATOM 157 OP1 DG A 6 4.642 -3.027 -9.386 1.00 0.00 O ATOM 158 OP2 DG A 6 5.403 -4.986 -7.932 1.00 0.00 O ATOM 159 O5' DG A 6 6.398 -2.713 -7.630 1.00 0.00 O ATOM 160 C5' DG A 6 6.474 -1.309 -7.782 1.00 0.00 C ATOM 161 C4' DG A 6 7.779 -0.764 -7.188 1.00 0.00 C ATOM 162 O4' DG A 6 7.761 -0.886 -5.772 1.00 0.00 O ATOM 163 C3' DG A 6 9.026 -1.506 -7.695 1.00 0.00 C ATOM 164 O3' DG A 6 10.040 -0.524 -7.839 1.00 0.00 O ATOM 165 C2' DG A 6 9.285 -2.482 -6.545 1.00 0.00 C ATOM 166 C1' DG A 6 8.915 -1.597 -5.361 1.00 0.00 C ATOM 167 N9 DG A 6 8.644 -2.314 -4.093 1.00 0.00 N ATOM 168 C8 DG A 6 8.227 -3.607 -3.882 1.00 0.00 C ATOM 169 N7 DG A 6 8.016 -3.903 -2.629 1.00 0.00 N ATOM 170 C5 DG A 6 8.333 -2.732 -1.950 1.00 0.00 C ATOM 171 C6 DG A 6 8.346 -2.455 -0.549 1.00 0.00 C ATOM 172 O6 DG A 6 8.039 -3.205 0.374 1.00 0.00 O ATOM 173 N1 DG A 6 8.777 -1.161 -0.266 1.00 0.00 N ATOM 174 C2 DG A 6 9.131 -0.228 -1.224 1.00 0.00 C ATOM 175 N2 DG A 6 9.509 0.981 -0.793 1.00 0.00 N ATOM 176 N3 DG A 6 9.118 -0.490 -2.540 1.00 0.00 N ATOM 177 C4 DG A 6 8.721 -1.756 -2.838 1.00 0.00 C ATOM 0 H5' DG A 6 5.622 -0.839 -7.290 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.415 -1.050 -8.839 1.00 0.00 H new ATOM 0 H4' DG A 6 7.838 0.278 -7.503 1.00 0.00 H new ATOM 0 H3' DG A 6 8.955 -2.029 -8.649 1.00 0.00 H new ATOM 0 H2' DG A 6 8.664 -3.375 -6.608 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.322 -2.817 -6.508 1.00 0.00 H new ATOM 0 H1' DG A 6 9.768 -0.961 -5.122 1.00 0.00 H new ATOM 0 H8 DG A 6 8.086 -4.316 -4.684 1.00 0.00 H new ATOM 0 H1 DG A 6 8.836 -0.883 0.714 1.00 0.00 H new ATOM 0 H21 DG A 6 9.779 1.700 -1.464 1.00 0.00 H new ATOM 0 H22 DG A 6 9.527 1.183 0.207 1.00 0.00 H new ATOM 189 P DA A 7 11.543 -0.840 -8.344 1.00 0.00 P ATOM 190 OP1 DA A 7 11.834 0.025 -9.508 1.00 0.00 O ATOM 191 OP2 DA A 7 11.732 -2.304 -8.447 1.00 0.00 O ATOM 192 O5' DA A 7 12.395 -0.305 -7.085 1.00 0.00 O ATOM 193 C5' DA A 7 12.423 1.073 -6.760 1.00 0.00 C ATOM 194 C4' DA A 7 13.178 1.299 -5.448 1.00 0.00 C ATOM 195 O4' DA A 7 12.488 0.600 -4.425 1.00 0.00 O ATOM 196 C3' DA A 7 14.618 0.773 -5.518 1.00 0.00 C ATOM 197 O3' DA A 7 15.591 1.733 -5.115 1.00 0.00 O ATOM 198 C2' DA A 7 14.576 -0.500 -4.676 1.00 0.00 C ATOM 199 C1' DA A 7 13.378 -0.268 -3.750 1.00 0.00 C ATOM 200 N9 DA A 7 12.675 -1.528 -3.411 1.00 0.00 N ATOM 201 C8 DA A 7 12.232 -2.520 -4.251 1.00 0.00 C ATOM 202 N7 DA A 7 11.659 -3.523 -3.644 1.00 0.00 N ATOM 203 C5 DA A 7 11.712 -3.167 -2.302 1.00 0.00 C ATOM 204 C6 DA A 7 11.271 -3.801 -1.121 1.00 0.00 C ATOM 205 N6 DA A 7 10.654 -4.989 -1.120 1.00 0.00 N ATOM 206 N1 DA A 7 11.447 -3.164 0.054 1.00 0.00 N ATOM 207 C2 DA A 7 12.032 -1.968 0.058 1.00 0.00 C ATOM 208 N3 DA A 7 12.495 -1.272 -0.977 1.00 0.00 N ATOM 209 C4 DA A 7 12.305 -1.937 -2.150 1.00 0.00 C ATOM 0 H5' DA A 7 11.405 1.452 -6.671 1.00 0.00 H new ATOM 0 H5'' DA A 7 12.902 1.632 -7.563 1.00 0.00 H new ATOM 0 H4' DA A 7 13.223 2.370 -5.250 1.00 0.00 H new ATOM 0 H3' DA A 7 14.945 0.562 -6.536 1.00 0.00 H new ATOM 0 H2' DA A 7 14.441 -1.387 -5.294 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.499 -0.641 -4.113 1.00 0.00 H new ATOM 0 H1' DA A 7 13.732 0.159 -2.811 1.00 0.00 H new ATOM 0 H8 DA A 7 12.348 -2.474 -5.324 1.00 0.00 H new ATOM 0 H61 DA A 7 10.354 -5.407 -0.239 1.00 0.00 H new ATOM 0 H62 DA A 7 10.484 -5.476 -2.000 1.00 0.00 H new ATOM 0 H2 DA A 7 12.145 -1.503 1.026 1.00 0.00 H new ATOM 221 P DC A 8 15.774 2.286 -3.603 1.00 0.00 P ATOM 222 OP1 DC A 8 16.663 1.355 -2.872 1.00 0.00 O ATOM 223 OP2 DC A 8 14.446 2.618 -3.045 1.00 0.00 O ATOM 224 O5' DC A 8 16.589 3.665 -3.855 1.00 0.00 O ATOM 225 C5' DC A 8 16.451 4.780 -2.991 1.00 0.00 C ATOM 226 C4' DC A 8 15.462 5.821 -3.547 1.00 0.00 C ATOM 227 O4' DC A 8 14.303 5.196 -4.087 1.00 0.00 O ATOM 228 C3' DC A 8 14.972 6.753 -2.429 1.00 0.00 C ATOM 229 O3' DC A 8 14.671 8.022 -3.000 1.00 0.00 O ATOM 230 C2' DC A 8 13.741 5.970 -1.976 1.00 0.00 C ATOM 231 C1' DC A 8 13.169 5.607 -3.345 1.00 0.00 C ATOM 232 N1 DC A 8 12.045 4.633 -3.495 1.00 0.00 N ATOM 233 C2 DC A 8 11.588 3.817 -2.449 1.00 0.00 C ATOM 234 O2 DC A 8 12.009 3.919 -1.300 1.00 0.00 O ATOM 235 N3 DC A 8 10.620 2.893 -2.725 1.00 0.00 N ATOM 236 C4 DC A 8 10.087 2.787 -3.951 1.00 0.00 C ATOM 237 N4 DC A 8 9.169 1.845 -4.176 1.00 0.00 N ATOM 238 C5 DC A 8 10.462 3.681 -5.006 1.00 0.00 C ATOM 239 C6 DC A 8 11.442 4.568 -4.729 1.00 0.00 C ATOM 0 H5' DC A 8 17.425 5.247 -2.844 1.00 0.00 H new ATOM 0 H5'' DC A 8 16.109 4.441 -2.013 1.00 0.00 H new ATOM 0 H4' DC A 8 15.996 6.374 -4.319 1.00 0.00 H new ATOM 0 H3' DC A 8 15.657 6.977 -1.612 1.00 0.00 H new ATOM 0 H2' DC A 8 13.996 5.093 -1.381 1.00 0.00 H new ATOM 0 H2'' DC A 8 13.055 6.572 -1.380 1.00 0.00 H new ATOM 0 H1' DC A 8 12.636 6.494 -3.688 1.00 0.00 H new ATOM 0 H41 DC A 8 8.753 1.750 -5.102 1.00 0.00 H new ATOM 0 H42 DC A 8 8.884 1.220 -3.422 1.00 0.00 H new ATOM 0 H5 DC A 8 9.985 3.647 -5.974 1.00 0.00 H new ATOM 0 H6 DC A 8 11.763 5.249 -5.503 1.00 0.00 H new ATOM 251 P DG A 9 13.896 9.206 -2.208 1.00 0.00 P ATOM 252 OP1 DG A 9 14.314 10.497 -2.799 1.00 0.00 O ATOM 253 OP2 DG A 9 14.053 8.982 -0.754 1.00 0.00 O ATOM 254 O5' DG A 9 12.344 8.958 -2.600 1.00 0.00 O ATOM 255 C5' DG A 9 11.896 9.119 -3.936 1.00 0.00 C ATOM 256 C4' DG A 9 10.477 8.566 -4.140 1.00 0.00 C ATOM 257 O4' DG A 9 10.179 7.459 -3.302 1.00 0.00 O ATOM 258 C3' DG A 9 9.343 9.594 -3.953 1.00 0.00 C ATOM 259 O3' DG A 9 8.785 9.824 -5.239 1.00 0.00 O ATOM 260 C2' DG A 9 8.400 8.876 -2.979 1.00 0.00 C ATOM 261 C1' DG A 9 8.769 7.420 -3.213 1.00 0.00 C ATOM 262 N9 DG A 9 8.283 6.509 -2.149 1.00 0.00 N ATOM 263 C8 DG A 9 8.263 6.672 -0.784 1.00 0.00 C ATOM 264 N7 DG A 9 7.865 5.618 -0.127 1.00 0.00 N ATOM 265 C5 DG A 9 7.546 4.705 -1.125 1.00 0.00 C ATOM 266 C6 DG A 9 7.018 3.382 -1.027 1.00 0.00 C ATOM 267 O6 DG A 9 6.847 2.710 -0.012 1.00 0.00 O ATOM 268 N1 DG A 9 6.663 2.861 -2.269 1.00 0.00 N ATOM 269 C2 DG A 9 6.808 3.535 -3.469 1.00 0.00 C ATOM 270 N2 DG A 9 6.336 2.948 -4.572 1.00 0.00 N ATOM 271 N3 DG A 9 7.377 4.745 -3.566 1.00 0.00 N ATOM 272 C4 DG A 9 7.720 5.275 -2.363 1.00 0.00 C ATOM 0 H5' DG A 9 12.583 8.611 -4.612 1.00 0.00 H new ATOM 0 H5'' DG A 9 11.914 10.177 -4.199 1.00 0.00 H new ATOM 0 H4' DG A 9 10.504 8.260 -5.186 1.00 0.00 H new ATOM 0 H3' DG A 9 9.617 10.573 -3.559 1.00 0.00 H new ATOM 0 H2' DG A 9 8.569 9.180 -1.946 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.352 9.074 -3.203 1.00 0.00 H new ATOM 0 H1' DG A 9 8.297 7.010 -4.106 1.00 0.00 H new ATOM 0 H8 DG A 9 8.552 7.592 -0.298 1.00 0.00 H new ATOM 0 H1 DG A 9 6.270 1.920 -2.296 1.00 0.00 H new ATOM 0 H21 DG A 9 6.424 3.414 -5.475 1.00 0.00 H new ATOM 0 H22 DG A 9 5.887 2.034 -4.511 1.00 0.00 H new ATOM 284 P DA A 10 7.386 10.587 -5.497 1.00 0.00 P ATOM 285 OP1 DA A 10 7.467 11.269 -6.808 1.00 0.00 O ATOM 286 OP2 DA A 10 7.025 11.357 -4.285 1.00 0.00 O ATOM 287 O5' DA A 10 6.376 9.334 -5.641 1.00 0.00 O ATOM 288 C5' DA A 10 6.541 8.382 -6.679 1.00 0.00 C ATOM 289 C4' DA A 10 5.501 7.265 -6.574 1.00 0.00 C ATOM 290 O4' DA A 10 5.582 6.613 -5.322 1.00 0.00 O ATOM 291 C3' DA A 10 4.056 7.758 -6.737 1.00 0.00 C ATOM 292 O3' DA A 10 3.566 7.343 -8.003 1.00 0.00 O ATOM 293 C2' DA A 10 3.337 7.106 -5.552 1.00 0.00 C ATOM 294 C1' DA A 10 4.317 6.035 -5.084 1.00 0.00 C ATOM 295 N9 DA A 10 4.164 5.723 -3.645 1.00 0.00 N ATOM 296 C8 DA A 10 4.558 6.483 -2.571 1.00 0.00 C ATOM 297 N7 DA A 10 4.434 5.889 -1.418 1.00 0.00 N ATOM 298 C5 DA A 10 3.909 4.645 -1.747 1.00 0.00 C ATOM 299 C6 DA A 10 3.589 3.508 -0.977 1.00 0.00 C ATOM 300 N6 DA A 10 3.797 3.455 0.343 1.00 0.00 N ATOM 301 N1 DA A 10 3.088 2.426 -1.604 1.00 0.00 N ATOM 302 C2 DA A 10 2.919 2.468 -2.925 1.00 0.00 C ATOM 303 N3 DA A 10 3.200 3.465 -3.762 1.00 0.00 N ATOM 304 C4 DA A 10 3.707 4.544 -3.101 1.00 0.00 C ATOM 0 H5' DA A 10 7.543 7.956 -6.629 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.452 8.876 -7.647 1.00 0.00 H new ATOM 0 H4' DA A 10 5.736 6.585 -7.393 1.00 0.00 H new ATOM 0 H3' DA A 10 3.924 8.840 -6.724 1.00 0.00 H new ATOM 0 H2' DA A 10 3.126 7.829 -4.764 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.382 6.673 -5.851 1.00 0.00 H new ATOM 0 H1' DA A 10 4.159 5.090 -5.605 1.00 0.00 H new ATOM 0 H8 DA A 10 4.939 7.488 -2.674 1.00 0.00 H new ATOM 0 H61 DA A 10 3.552 2.613 0.865 1.00 0.00 H new ATOM 0 H62 DA A 10 4.201 4.256 0.828 1.00 0.00 H new ATOM 0 H2 DA A 10 2.501 1.580 -3.375 1.00 0.00 H new ATOM 316 P DT A 11 2.126 7.808 -8.579 1.00 0.00 P ATOM 317 OP1 DT A 11 2.158 7.678 -10.053 1.00 0.00 O ATOM 318 OP2 DT A 11 1.767 9.105 -7.963 1.00 0.00 O ATOM 319 O5' DT A 11 1.127 6.685 -8.002 1.00 0.00 O ATOM 320 C5' DT A 11 1.146 5.357 -8.488 1.00 0.00 C ATOM 321 C4' DT A 11 0.263 4.476 -7.602 1.00 0.00 C ATOM 322 O4' DT A 11 0.742 4.502 -6.272 1.00 0.00 O ATOM 323 C3' DT A 11 -1.208 4.919 -7.548 1.00 0.00 C ATOM 324 O3' DT A 11 -2.008 4.045 -8.329 1.00 0.00 O ATOM 325 C2' DT A 11 -1.543 4.858 -6.056 1.00 0.00 C ATOM 326 C1' DT A 11 -0.343 4.134 -5.452 1.00 0.00 C ATOM 327 N1 DT A 11 -0.101 4.525 -4.038 1.00 0.00 N ATOM 328 C2 DT A 11 -0.307 3.574 -3.041 1.00 0.00 C ATOM 329 O2 DT A 11 -0.757 2.450 -3.257 1.00 0.00 O ATOM 330 N3 DT A 11 0.025 3.962 -1.753 1.00 0.00 N ATOM 331 C4 DT A 11 0.510 5.200 -1.364 1.00 0.00 C ATOM 332 O4 DT A 11 0.798 5.405 -0.187 1.00 0.00 O ATOM 333 C5 DT A 11 0.637 6.154 -2.449 1.00 0.00 C ATOM 334 C7 DT A 11 1.087 7.572 -2.159 1.00 0.00 C ATOM 335 C6 DT A 11 0.334 5.792 -3.722 1.00 0.00 C ATOM 0 H5' DT A 11 2.167 4.976 -8.495 1.00 0.00 H new ATOM 0 H5'' DT A 11 0.788 5.330 -9.517 1.00 0.00 H new ATOM 0 H4' DT A 11 0.309 3.483 -8.049 1.00 0.00 H new ATOM 0 H3' DT A 11 -1.391 5.912 -7.958 1.00 0.00 H new ATOM 0 H2' DT A 11 -1.667 5.854 -5.631 1.00 0.00 H new ATOM 0 H2'' DT A 11 -2.472 4.317 -5.875 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.501 3.056 -5.423 1.00 0.00 H new ATOM 0 H3 DT A 11 -0.100 3.266 -1.018 1.00 0.00 H new ATOM 0 H71 DT A 11 1.622 7.968 -3.022 1.00 0.00 H new ATOM 0 H72 DT A 11 0.216 8.195 -1.955 1.00 0.00 H new ATOM 0 H73 DT A 11 1.746 7.574 -1.291 1.00 0.00 H new ATOM 0 H6 DT A 11 0.438 6.521 -4.512 1.00 0.00 H new ATOM 348 P DG A 12 -3.589 4.301 -8.568 1.00 0.00 P ATOM 349 OP1 DG A 12 -3.957 3.697 -9.869 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.874 5.731 -8.318 1.00 0.00 O ATOM 351 O5' DG A 12 -4.299 3.445 -7.398 1.00 0.00 O ATOM 352 C5' DG A 12 -4.369 2.032 -7.443 1.00 0.00 C ATOM 353 C4' DG A 12 -5.148 1.501 -6.234 1.00 0.00 C ATOM 354 O4' DG A 12 -4.420 1.786 -5.048 1.00 0.00 O ATOM 355 C3' DG A 12 -6.539 2.144 -6.104 1.00 0.00 C ATOM 356 O3' DG A 12 -7.499 1.138 -5.811 1.00 0.00 O ATOM 357 C2' DG A 12 -6.319 3.107 -4.939 1.00 0.00 C ATOM 358 C1' DG A 12 -5.308 2.333 -4.096 1.00 0.00 C ATOM 359 N9 DG A 12 -4.558 3.185 -3.141 1.00 0.00 N ATOM 360 C8 DG A 12 -3.971 4.405 -3.367 1.00 0.00 C ATOM 361 N7 DG A 12 -3.261 4.854 -2.372 1.00 0.00 N ATOM 362 C5 DG A 12 -3.395 3.871 -1.401 1.00 0.00 C ATOM 363 C6 DG A 12 -2.851 3.811 -0.083 1.00 0.00 C ATOM 364 O6 DG A 12 -2.091 4.614 0.451 1.00 0.00 O ATOM 365 N1 DG A 12 -3.284 2.692 0.623 1.00 0.00 N ATOM 366 C2 DG A 12 -4.121 1.721 0.105 1.00 0.00 C ATOM 367 N2 DG A 12 -4.473 0.729 0.929 1.00 0.00 N ATOM 368 N3 DG A 12 -4.600 1.755 -1.149 1.00 0.00 N ATOM 369 C4 DG A 12 -4.210 2.856 -1.849 1.00 0.00 C ATOM 0 H5' DG A 12 -3.364 1.611 -7.450 1.00 0.00 H new ATOM 0 H5'' DG A 12 -4.854 1.714 -8.366 1.00 0.00 H new ATOM 0 H4' DG A 12 -5.277 0.428 -6.379 1.00 0.00 H new ATOM 0 H3' DG A 12 -6.915 2.644 -6.996 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.927 4.069 -5.270 1.00 0.00 H new ATOM 0 H2'' DG A 12 -7.241 3.309 -4.393 1.00 0.00 H new ATOM 0 H1' DG A 12 -5.812 1.593 -3.475 1.00 0.00 H new ATOM 0 H8 DG A 12 -4.088 4.948 -4.293 1.00 0.00 H new ATOM 0 H1 DG A 12 -2.963 2.581 1.585 1.00 0.00 H new ATOM 0 H21 DG A 12 -5.089 -0.014 0.599 1.00 0.00 H new ATOM 0 H22 DG A 12 -4.126 0.715 1.888 1.00 0.00 H new ATOM 381 P DC A 13 -9.068 1.469 -5.578 1.00 0.00 P ATOM 382 OP1 DC A 13 -9.844 0.235 -5.832 1.00 0.00 O ATOM 383 OP2 DC A 13 -9.404 2.711 -6.309 1.00 0.00 O ATOM 384 O5' DC A 13 -9.130 1.785 -3.998 1.00 0.00 O ATOM 385 C5' DC A 13 -8.936 0.764 -3.039 1.00 0.00 C ATOM 386 C4' DC A 13 -8.789 1.357 -1.636 1.00 0.00 C ATOM 387 O4' DC A 13 -7.693 2.244 -1.551 1.00 0.00 O ATOM 388 C3' DC A 13 -9.988 2.179 -1.152 1.00 0.00 C ATOM 389 O3' DC A 13 -10.920 1.374 -0.462 1.00 0.00 O ATOM 390 C2' DC A 13 -9.351 3.216 -0.221 1.00 0.00 C ATOM 391 C1' DC A 13 -7.851 2.916 -0.320 1.00 0.00 C ATOM 392 N1 DC A 13 -7.008 4.142 -0.255 1.00 0.00 N ATOM 393 C2 DC A 13 -6.168 4.331 0.845 1.00 0.00 C ATOM 394 O2 DC A 13 -6.157 3.547 1.791 1.00 0.00 O ATOM 395 N3 DC A 13 -5.350 5.419 0.857 1.00 0.00 N ATOM 396 C4 DC A 13 -5.343 6.302 -0.151 1.00 0.00 C ATOM 397 N4 DC A 13 -4.494 7.332 -0.094 1.00 0.00 N ATOM 398 C5 DC A 13 -6.237 6.160 -1.265 1.00 0.00 C ATOM 399 C6 DC A 13 -7.043 5.071 -1.269 1.00 0.00 C ATOM 0 H5' DC A 13 -8.046 0.187 -3.290 1.00 0.00 H new ATOM 0 H5'' DC A 13 -9.779 0.074 -3.060 1.00 0.00 H new ATOM 0 H4' DC A 13 -8.671 0.468 -1.017 1.00 0.00 H new ATOM 0 H3' DC A 13 -10.551 2.629 -1.969 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.578 4.234 -0.539 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.714 3.113 0.802 1.00 0.00 H new ATOM 0 HO3' DC A 13 -11.672 1.927 -0.164 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.518 2.315 0.526 1.00 0.00 H new ATOM 0 H41 DC A 13 -4.471 8.016 -0.850 1.00 0.00 H new ATOM 0 H42 DC A 13 -3.869 7.434 0.705 1.00 0.00 H new ATOM 0 H5 DC A 13 -6.266 6.887 -2.063 1.00 0.00 H new ATOM 0 H6 DC A 13 -7.731 4.929 -2.089 1.00 0.00 H new TER 412 DC A 13