USER MOD reduce.3.24.130724 H: found=0, std=0, add=232, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 232 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: A 9 DT C7 :methyl -30:sc= -0.0401 (180deg=-1.06) USER MOD Set 1.2: B 9 DT C7 :methyl -30:sc= -0.0307 (180deg=-0.147) USER MOD Set 2.1: A 4 DT C7 :methyl -30:sc= -0.167 (180deg=-0.0411) USER MOD Set 2.2: B 4 DT C7 :methyl -30:sc= -0.594 (180deg=-1.14) USER MOD Single : A 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 1 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 P DT A 1 5.107 -2.115 11.298 1.00 0.00 P ATOM 2 OP1 DT A 1 6.062 -0.997 11.095 1.00 0.00 O ATOM 3 OP2 DT A 1 4.789 -2.571 12.665 1.00 0.00 O ATOM 4 O5' DT A 1 3.713 -1.730 10.585 1.00 0.00 O ATOM 5 C5' DT A 1 3.659 -0.865 9.459 1.00 0.00 C ATOM 6 C4' DT A 1 4.365 -1.435 8.216 1.00 0.00 C ATOM 7 O4' DT A 1 3.865 -2.717 7.862 1.00 0.00 O ATOM 8 C3' DT A 1 4.084 -0.526 7.015 1.00 0.00 C ATOM 9 O3' DT A 1 5.146 -0.555 6.086 1.00 0.00 O ATOM 10 C2' DT A 1 2.822 -1.138 6.422 1.00 0.00 C ATOM 11 C1' DT A 1 2.928 -2.620 6.797 1.00 0.00 C ATOM 12 N1 DT A 1 1.609 -3.172 7.219 1.00 0.00 N ATOM 13 C2 DT A 1 0.700 -3.587 6.238 1.00 0.00 C ATOM 14 O2 DT A 1 0.892 -3.504 5.025 1.00 0.00 O ATOM 15 N3 DT A 1 -0.498 -4.104 6.696 1.00 0.00 N ATOM 16 C4 DT A 1 -0.891 -4.219 8.014 1.00 0.00 C ATOM 17 O4 DT A 1 -1.989 -4.715 8.262 1.00 0.00 O ATOM 18 C5 DT A 1 0.080 -3.713 8.977 1.00 0.00 C ATOM 19 C7 DT A 1 -0.192 -3.739 10.468 1.00 0.00 C ATOM 20 C6 DT A 1 1.277 -3.235 8.558 1.00 0.00 C ATOM 0 H5' DT A 1 4.115 0.089 9.721 1.00 0.00 H new ATOM 0 H5'' DT A 1 2.616 -0.663 9.215 1.00 0.00 H new ATOM 0 H4' DT A 1 5.426 -1.501 8.456 1.00 0.00 H new ATOM 0 H3' DT A 1 3.973 0.524 7.288 1.00 0.00 H new ATOM 0 H2' DT A 1 1.923 -0.683 6.837 1.00 0.00 H new ATOM 0 H2'' DT A 1 2.779 -1.000 5.342 1.00 0.00 H new ATOM 0 H1' DT A 1 3.252 -3.200 5.933 1.00 0.00 H new ATOM 0 H3 DT A 1 -1.156 -4.433 5.990 1.00 0.00 H new ATOM 0 H71 DT A 1 0.750 -3.840 11.008 1.00 0.00 H new ATOM 0 H72 DT A 1 -0.683 -2.812 10.765 1.00 0.00 H new ATOM 0 H73 DT A 1 -0.839 -4.584 10.705 1.00 0.00 H new ATOM 0 H6 DT A 1 1.992 -2.894 9.292 1.00 0.00 H new ATOM 33 P DC A 2 6.544 0.186 6.395 1.00 0.00 P ATOM 34 OP1 DC A 2 7.620 -0.832 6.490 1.00 0.00 O ATOM 35 OP2 DC A 2 6.349 1.161 7.500 1.00 0.00 O ATOM 36 O5' DC A 2 6.720 1.005 5.031 1.00 0.00 O ATOM 37 C5' DC A 2 7.509 0.497 3.967 1.00 0.00 C ATOM 38 C4' DC A 2 7.463 1.412 2.743 1.00 0.00 C ATOM 39 O4' DC A 2 6.214 1.289 2.097 1.00 0.00 O ATOM 40 C3' DC A 2 7.688 2.886 3.116 1.00 0.00 C ATOM 41 O3' DC A 2 8.887 3.467 2.592 1.00 0.00 O ATOM 42 C2' DC A 2 6.367 3.566 2.751 1.00 0.00 C ATOM 43 C1' DC A 2 5.656 2.559 1.837 1.00 0.00 C ATOM 44 N1 DC A 2 4.210 2.380 2.112 1.00 0.00 N ATOM 45 C2 DC A 2 3.292 2.407 1.051 1.00 0.00 C ATOM 46 O2 DC A 2 3.599 2.765 -0.093 1.00 0.00 O ATOM 47 N3 DC A 2 2.016 2.038 1.301 1.00 0.00 N ATOM 48 C4 DC A 2 1.637 1.652 2.499 1.00 0.00 C ATOM 49 N4 DC A 2 0.366 1.378 2.645 1.00 0.00 N ATOM 50 C5 DC A 2 2.522 1.627 3.611 1.00 0.00 C ATOM 51 C6 DC A 2 3.808 1.984 3.369 1.00 0.00 C ATOM 0 H5' DC A 2 7.154 -0.496 3.693 1.00 0.00 H new ATOM 0 H5'' DC A 2 8.541 0.386 4.300 1.00 0.00 H new ATOM 0 H4' DC A 2 8.268 1.101 2.077 1.00 0.00 H new ATOM 0 H3' DC A 2 7.904 3.022 4.176 1.00 0.00 H new ATOM 0 H2' DC A 2 5.774 3.783 3.639 1.00 0.00 H new ATOM 0 H2'' DC A 2 6.536 4.514 2.241 1.00 0.00 H new ATOM 0 H1' DC A 2 5.778 2.942 0.824 1.00 0.00 H new ATOM 0 H41 DC A 2 0.011 1.073 3.551 1.00 0.00 H new ATOM 0 H42 DC A 2 -0.270 1.469 1.852 1.00 0.00 H new ATOM 0 H5 DC A 2 2.188 1.339 4.597 1.00 0.00 H new ATOM 0 H6 DC A 2 4.528 1.957 4.174 1.00 0.00 H new ATOM 63 P DG A 3 9.289 3.631 1.028 1.00 0.00 P ATOM 64 OP1 DG A 3 9.103 2.338 0.334 1.00 0.00 O ATOM 65 OP2 DG A 3 10.634 4.241 0.970 1.00 0.00 O ATOM 66 O5' DG A 3 8.219 4.708 0.507 1.00 0.00 O ATOM 67 C5' DG A 3 7.475 4.548 -0.689 1.00 0.00 C ATOM 68 C4' DG A 3 6.315 5.550 -0.746 1.00 0.00 C ATOM 69 O4' DG A 3 5.265 5.174 0.117 1.00 0.00 O ATOM 70 C3' DG A 3 6.660 6.965 -0.259 1.00 0.00 C ATOM 71 O3' DG A 3 7.312 7.879 -1.113 1.00 0.00 O ATOM 72 C2' DG A 3 5.325 7.549 0.170 1.00 0.00 C ATOM 73 C1' DG A 3 4.460 6.308 0.374 1.00 0.00 C ATOM 74 N9 DG A 3 3.939 6.182 1.747 1.00 0.00 N ATOM 75 C8 DG A 3 4.592 6.389 2.935 1.00 0.00 C ATOM 76 N7 DG A 3 3.921 6.012 3.987 1.00 0.00 N ATOM 77 C5 DG A 3 2.710 5.555 3.457 1.00 0.00 C ATOM 78 C6 DG A 3 1.555 4.975 4.089 1.00 0.00 C ATOM 79 O6 DG A 3 1.356 4.707 5.267 1.00 0.00 O ATOM 80 N1 DG A 3 0.538 4.683 3.198 1.00 0.00 N ATOM 81 C2 DG A 3 0.633 4.864 1.855 1.00 0.00 C ATOM 82 N2 DG A 3 -0.413 4.547 1.140 1.00 0.00 N ATOM 83 N3 DG A 3 1.694 5.376 1.224 1.00 0.00 N ATOM 84 C4 DG A 3 2.702 5.697 2.089 1.00 0.00 C ATOM 0 H5' DG A 3 7.087 3.531 -0.748 1.00 0.00 H new ATOM 0 H5'' DG A 3 8.127 4.690 -1.550 1.00 0.00 H new ATOM 0 H4' DG A 3 6.056 5.548 -1.805 1.00 0.00 H new ATOM 0 H3' DG A 3 7.426 6.832 0.505 1.00 0.00 H new ATOM 0 H2' DG A 3 5.415 8.134 1.086 1.00 0.00 H new ATOM 0 H2'' DG A 3 4.910 8.210 -0.591 1.00 0.00 H new ATOM 0 H1' DG A 3 3.606 6.389 -0.298 1.00 0.00 H new ATOM 0 H8 DG A 3 5.578 6.827 2.994 1.00 0.00 H new ATOM 0 H1 DG A 3 -0.335 4.310 3.571 1.00 0.00 H new ATOM 0 H21 DG A 3 -0.393 4.664 0.127 1.00 0.00 H new ATOM 0 H22 DG A 3 -1.250 4.182 1.595 1.00 0.00 H new ATOM 96 P DT A 4 7.185 7.947 -2.709 1.00 0.00 P ATOM 97 OP1 DT A 4 8.182 7.001 -3.260 1.00 0.00 O ATOM 98 OP2 DT A 4 7.265 9.389 -3.023 1.00 0.00 O ATOM 99 O5' DT A 4 5.708 7.447 -3.163 1.00 0.00 O ATOM 100 C5' DT A 4 5.535 6.612 -4.313 1.00 0.00 C ATOM 101 C4' DT A 4 4.357 7.038 -5.203 1.00 0.00 C ATOM 102 O4' DT A 4 3.112 6.882 -4.555 1.00 0.00 O ATOM 103 C3' DT A 4 4.465 8.514 -5.557 1.00 0.00 C ATOM 104 O3' DT A 4 4.781 8.716 -6.920 1.00 0.00 O ATOM 105 C2' DT A 4 3.188 9.188 -5.140 1.00 0.00 C ATOM 106 C1' DT A 4 2.293 7.973 -4.943 1.00 0.00 C ATOM 107 N1 DT A 4 1.331 8.263 -3.868 1.00 0.00 N ATOM 108 C2 DT A 4 -0.007 8.461 -4.197 1.00 0.00 C ATOM 109 O2 DT A 4 -0.455 8.331 -5.331 1.00 0.00 O ATOM 110 N3 DT A 4 -0.845 8.823 -3.165 1.00 0.00 N ATOM 111 C4 DT A 4 -0.464 9.029 -1.850 1.00 0.00 C ATOM 112 O4 DT A 4 -1.323 9.364 -1.042 1.00 0.00 O ATOM 113 C5 DT A 4 0.959 8.812 -1.586 1.00 0.00 C ATOM 114 C7 DT A 4 1.553 8.979 -0.204 1.00 0.00 C ATOM 115 C6 DT A 4 1.791 8.437 -2.583 1.00 0.00 C ATOM 0 H5' DT A 4 5.381 5.583 -3.987 1.00 0.00 H new ATOM 0 H5'' DT A 4 6.451 6.625 -4.904 1.00 0.00 H new ATOM 0 H4' DT A 4 4.405 6.400 -6.085 1.00 0.00 H new ATOM 0 H3' DT A 4 5.296 8.966 -5.016 1.00 0.00 H new ATOM 0 H2' DT A 4 3.305 9.771 -4.226 1.00 0.00 H new ATOM 0 H2'' DT A 4 2.807 9.866 -5.904 1.00 0.00 H new ATOM 0 H1' DT A 4 1.756 7.736 -5.861 1.00 0.00 H new ATOM 0 H3 DT A 4 -1.832 8.950 -3.389 1.00 0.00 H new ATOM 0 H71 DT A 4 0.988 9.731 0.347 1.00 0.00 H new ATOM 0 H72 DT A 4 1.508 8.029 0.329 1.00 0.00 H new ATOM 0 H73 DT A 4 2.592 9.297 -0.291 1.00 0.00 H new ATOM 0 H6 DT A 4 2.836 8.271 -2.367 1.00 0.00 H new ATOM 128 P DT A 5 5.805 9.921 -7.313 1.00 0.00 P ATOM 129 OP1 DT A 5 5.073 11.205 -7.186 1.00 0.00 O ATOM 130 OP2 DT A 5 6.433 9.523 -8.596 1.00 0.00 O ATOM 131 O5' DT A 5 6.791 9.785 -6.020 1.00 0.00 O ATOM 132 C5' DT A 5 8.192 9.753 -5.901 1.00 0.00 C ATOM 133 C4' DT A 5 8.908 8.877 -6.917 1.00 0.00 C ATOM 134 O4' DT A 5 9.728 9.815 -7.543 1.00 0.00 O ATOM 135 C3' DT A 5 9.789 7.658 -6.503 1.00 0.00 C ATOM 136 O3' DT A 5 9.475 6.585 -7.384 1.00 0.00 O ATOM 137 C2' DT A 5 11.202 8.134 -6.818 1.00 0.00 C ATOM 138 C1' DT A 5 10.900 9.164 -7.907 1.00 0.00 C ATOM 139 N1 DT A 5 11.951 10.187 -8.087 1.00 0.00 N ATOM 140 C2 DT A 5 12.337 10.479 -9.395 1.00 0.00 C ATOM 141 O2 DT A 5 11.841 9.957 -10.388 1.00 0.00 O ATOM 142 N3 DT A 5 13.344 11.403 -9.542 1.00 0.00 N ATOM 143 C4 DT A 5 13.986 12.066 -8.517 1.00 0.00 C ATOM 144 O4 DT A 5 14.873 12.863 -8.802 1.00 0.00 O ATOM 145 C5 DT A 5 13.514 11.733 -7.176 1.00 0.00 C ATOM 146 C7 DT A 5 14.151 12.380 -5.964 1.00 0.00 C ATOM 147 C6 DT A 5 12.515 10.833 -7.003 1.00 0.00 C ATOM 0 H5' DT A 5 8.448 9.405 -4.900 1.00 0.00 H new ATOM 0 H5'' DT A 5 8.572 10.771 -5.991 1.00 0.00 H new ATOM 0 H4' DT A 5 8.132 8.345 -7.468 1.00 0.00 H new ATOM 0 H3' DT A 5 9.655 7.336 -5.470 1.00 0.00 H new ATOM 0 H2' DT A 5 11.695 8.576 -5.952 1.00 0.00 H new ATOM 0 H2'' DT A 5 11.844 7.328 -7.174 1.00 0.00 H new ATOM 0 H1' DT A 5 10.828 8.624 -8.851 1.00 0.00 H new ATOM 0 H3 DT A 5 13.643 11.617 -10.493 1.00 0.00 H new ATOM 0 H71 DT A 5 13.413 12.463 -5.166 1.00 0.00 H new ATOM 0 H72 DT A 5 14.987 11.769 -5.623 1.00 0.00 H new ATOM 0 H73 DT A 5 14.512 13.374 -6.230 1.00 0.00 H new ATOM 0 H6 DT A 5 12.156 10.618 -6.007 1.00 0.00 H new ATOM 160 P DT A 6 9.992 5.074 -7.147 1.00 0.00 P ATOM 161 OP1 DT A 6 10.947 5.036 -6.012 1.00 0.00 O ATOM 162 OP2 DT A 6 10.384 4.558 -8.476 1.00 0.00 O ATOM 163 O5' DT A 6 8.647 4.304 -6.723 1.00 0.00 O ATOM 164 C5' DT A 6 8.295 4.108 -5.363 1.00 0.00 C ATOM 165 C4' DT A 6 7.111 3.148 -5.239 1.00 0.00 C ATOM 166 O4' DT A 6 5.902 3.746 -5.681 1.00 0.00 O ATOM 167 C3' DT A 6 7.307 1.855 -6.061 1.00 0.00 C ATOM 168 O3' DT A 6 7.024 0.675 -5.330 1.00 0.00 O ATOM 169 C2' DT A 6 6.221 1.986 -7.117 1.00 0.00 C ATOM 170 C1' DT A 6 5.163 2.709 -6.282 1.00 0.00 C ATOM 171 N1 DT A 6 3.971 3.236 -6.997 1.00 0.00 N ATOM 172 C2 DT A 6 2.859 3.568 -6.210 1.00 0.00 C ATOM 173 O2 DT A 6 2.820 3.484 -4.979 1.00 0.00 O ATOM 174 N3 DT A 6 1.734 3.973 -6.894 1.00 0.00 N ATOM 175 C4 DT A 6 1.576 4.016 -8.258 1.00 0.00 C ATOM 176 O4 DT A 6 0.482 4.330 -8.715 1.00 0.00 O ATOM 177 C5 DT A 6 2.765 3.662 -9.017 1.00 0.00 C ATOM 178 C7 DT A 6 2.758 3.704 -10.531 1.00 0.00 C ATOM 179 C6 DT A 6 3.906 3.291 -8.378 1.00 0.00 C ATOM 0 H5' DT A 6 8.042 5.065 -4.907 1.00 0.00 H new ATOM 0 H5'' DT A 6 9.150 3.710 -4.816 1.00 0.00 H new ATOM 0 H4' DT A 6 7.054 2.905 -4.178 1.00 0.00 H new ATOM 0 H3' DT A 6 8.336 1.766 -6.410 1.00 0.00 H new ATOM 0 H2' DT A 6 6.543 2.565 -7.982 1.00 0.00 H new ATOM 0 H2'' DT A 6 5.877 1.021 -7.489 1.00 0.00 H new ATOM 0 H1' DT A 6 4.690 2.004 -5.598 1.00 0.00 H new ATOM 0 H3 DT A 6 0.938 4.271 -6.331 1.00 0.00 H new ATOM 0 H71 DT A 6 3.759 3.937 -10.893 1.00 0.00 H new ATOM 0 H72 DT A 6 2.448 2.734 -10.920 1.00 0.00 H new ATOM 0 H73 DT A 6 2.062 4.471 -10.870 1.00 0.00 H new ATOM 0 H6 DT A 6 4.779 3.034 -8.960 1.00 0.00 H new ATOM 192 P DC A 7 8.002 0.118 -4.179 1.00 0.00 P ATOM 193 OP1 DC A 7 9.383 0.566 -4.462 1.00 0.00 O ATOM 194 OP2 DC A 7 7.705 -1.323 -3.982 1.00 0.00 O ATOM 195 O5' DC A 7 7.476 0.951 -2.902 1.00 0.00 O ATOM 196 C5' DC A 7 6.142 0.845 -2.434 1.00 0.00 C ATOM 197 C4' DC A 7 6.113 0.323 -0.997 1.00 0.00 C ATOM 198 O4' DC A 7 4.749 0.193 -0.622 1.00 0.00 O ATOM 199 C3' DC A 7 6.768 -1.050 -0.828 1.00 0.00 C ATOM 200 O3' DC A 7 7.383 -1.129 0.449 1.00 0.00 O ATOM 201 C2' DC A 7 5.578 -1.986 -1.016 1.00 0.00 C ATOM 202 C1' DC A 7 4.391 -1.168 -0.497 1.00 0.00 C ATOM 203 N1 DC A 7 3.115 -1.399 -1.229 1.00 0.00 N ATOM 204 C2 DC A 7 1.934 -1.582 -0.497 1.00 0.00 C ATOM 205 O2 DC A 7 1.926 -1.622 0.741 1.00 0.00 O ATOM 206 N3 DC A 7 0.773 -1.747 -1.174 1.00 0.00 N ATOM 207 C4 DC A 7 0.735 -1.692 -2.487 1.00 0.00 C ATOM 208 N4 DC A 7 -0.440 -1.821 -3.053 1.00 0.00 N ATOM 209 C5 DC A 7 1.903 -1.509 -3.275 1.00 0.00 C ATOM 210 C6 DC A 7 3.074 -1.373 -2.607 1.00 0.00 C ATOM 0 H5' DC A 7 5.577 0.175 -3.081 1.00 0.00 H new ATOM 0 H5'' DC A 7 5.656 1.819 -2.482 1.00 0.00 H new ATOM 0 H4' DC A 7 6.672 1.028 -0.381 1.00 0.00 H new ATOM 0 H3' DC A 7 7.575 -1.287 -1.521 1.00 0.00 H new ATOM 0 H2' DC A 7 5.447 -2.263 -2.062 1.00 0.00 H new ATOM 0 H2'' DC A 7 5.703 -2.912 -0.454 1.00 0.00 H new ATOM 0 H1' DC A 7 4.199 -1.475 0.531 1.00 0.00 H new ATOM 0 H41 DC A 7 -0.523 -1.786 -4.069 1.00 0.00 H new ATOM 0 H42 DC A 7 -1.271 -1.957 -2.477 1.00 0.00 H new ATOM 0 H5 DC A 7 1.860 -1.480 -4.354 1.00 0.00 H new ATOM 0 H6 DC A 7 3.990 -1.242 -3.163 1.00 0.00 H new ATOM 222 P DG A 8 8.250 -2.400 0.923 1.00 0.00 P ATOM 223 OP1 DG A 8 9.098 -1.984 2.070 1.00 0.00 O ATOM 224 OP2 DG A 8 8.879 -3.021 -0.270 1.00 0.00 O ATOM 225 O5' DG A 8 7.097 -3.393 1.445 1.00 0.00 O ATOM 226 C5' DG A 8 6.105 -2.958 2.369 1.00 0.00 C ATOM 227 C4' DG A 8 4.977 -3.986 2.517 1.00 0.00 C ATOM 228 O4' DG A 8 4.197 -4.074 1.333 1.00 0.00 O ATOM 229 C3' DG A 8 5.542 -5.380 2.819 1.00 0.00 C ATOM 230 O3' DG A 8 4.826 -6.005 3.861 1.00 0.00 O ATOM 231 C2' DG A 8 5.363 -6.127 1.511 1.00 0.00 C ATOM 232 C1' DG A 8 4.164 -5.417 0.884 1.00 0.00 C ATOM 233 N9 DG A 8 4.177 -5.396 -0.598 1.00 0.00 N ATOM 234 C8 DG A 8 5.248 -5.346 -1.459 1.00 0.00 C ATOM 235 N7 DG A 8 4.934 -5.143 -2.709 1.00 0.00 N ATOM 236 C5 DG A 8 3.534 -5.080 -2.683 1.00 0.00 C ATOM 237 C6 DG A 8 2.567 -4.841 -3.723 1.00 0.00 C ATOM 238 O6 DG A 8 2.720 -4.620 -4.922 1.00 0.00 O ATOM 239 N1 DG A 8 1.264 -4.880 -3.268 1.00 0.00 N ATOM 240 C2 DG A 8 0.906 -5.100 -1.978 1.00 0.00 C ATOM 241 N2 DG A 8 -0.379 -5.114 -1.727 1.00 0.00 N ATOM 242 N3 DG A 8 1.767 -5.290 -0.978 1.00 0.00 N ATOM 243 C4 DG A 8 3.069 -5.270 -1.398 1.00 0.00 C ATOM 0 H5' DG A 8 5.689 -2.007 2.035 1.00 0.00 H new ATOM 0 H5'' DG A 8 6.566 -2.781 3.341 1.00 0.00 H new ATOM 0 H4' DG A 8 4.352 -3.648 3.343 1.00 0.00 H new ATOM 0 H3' DG A 8 6.579 -5.352 3.153 1.00 0.00 H new ATOM 0 H2' DG A 8 6.250 -6.059 0.881 1.00 0.00 H new ATOM 0 H2'' DG A 8 5.167 -7.187 1.673 1.00 0.00 H new ATOM 0 H1' DG A 8 3.269 -5.962 1.183 1.00 0.00 H new ATOM 0 H8 DG A 8 6.269 -5.465 -1.127 1.00 0.00 H new ATOM 0 H1 DG A 8 0.519 -4.733 -3.949 1.00 0.00 H new ATOM 0 H21 DG A 8 -0.711 -5.275 -0.776 1.00 0.00 H new ATOM 0 H22 DG A 8 -1.048 -4.964 -2.482 1.00 0.00 H new ATOM 255 P DT A 9 5.161 -5.633 5.389 1.00 0.00 P ATOM 256 OP1 DT A 9 5.571 -4.215 5.434 1.00 0.00 O ATOM 257 OP2 DT A 9 6.070 -6.674 5.913 1.00 0.00 O ATOM 258 O5' DT A 9 3.712 -5.778 6.060 1.00 0.00 O ATOM 259 C5' DT A 9 3.217 -7.060 6.370 1.00 0.00 C ATOM 260 C4' DT A 9 1.787 -6.978 6.902 1.00 0.00 C ATOM 261 O4' DT A 9 0.854 -6.808 5.841 1.00 0.00 O ATOM 262 C3' DT A 9 1.448 -8.294 7.609 1.00 0.00 C ATOM 263 O3' DT A 9 0.633 -8.064 8.745 1.00 0.00 O ATOM 264 C2' DT A 9 0.690 -9.052 6.536 1.00 0.00 C ATOM 265 C1' DT A 9 -0.024 -7.923 5.807 1.00 0.00 C ATOM 266 N1 DT A 9 -0.283 -8.345 4.413 1.00 0.00 N ATOM 267 C2 DT A 9 -1.517 -8.922 4.109 1.00 0.00 C ATOM 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B 6 -3.469 3.075 7.240 1.00 0.00 C ATOM 0 H5' DT B 6 -8.293 1.229 5.717 1.00 0.00 H new ATOM 0 H5'' DT B 6 -7.468 2.370 6.761 1.00 0.00 H new ATOM 0 H4' DT B 6 -6.805 2.257 3.847 1.00 0.00 H new ATOM 0 H3' DT B 6 -6.274 0.071 5.753 1.00 0.00 H new ATOM 0 H2' DT B 6 -3.974 0.555 6.049 1.00 0.00 H new ATOM 0 H2'' DT B 6 -3.771 0.396 4.316 1.00 0.00 H new ATOM 0 H1' DT B 6 -3.917 2.722 3.957 1.00 0.00 H new ATOM 0 H3 DT B 6 -0.059 3.946 5.957 1.00 0.00 H new ATOM 0 H71 DT B 6 -3.988 3.901 9.647 1.00 0.00 H new ATOM 0 H72 DT B 6 -2.756 2.697 10.095 1.00 0.00 H new ATOM 0 H73 DT B 6 -2.335 4.426 10.047 1.00 0.00 H new ATOM 0 H6 DT B 6 -4.458 2.827 7.596 1.00 0.00 H new ATOM 511 P DC B 7 -7.468 -0.807 3.462 1.00 0.00 P ATOM 512 OP1 DC B 7 -8.461 0.190 3.007 1.00 0.00 O ATOM 513 OP2 DC B 7 -7.798 -1.706 4.597 1.00 0.00 O ATOM 514 O5' DC B 7 -7.109 -1.763 2.234 1.00 0.00 O ATOM 515 C5' DC B 7 -7.657 -1.529 0.946 1.00 0.00 C ATOM 516 C4' DC B 7 -7.094 -2.504 -0.086 1.00 0.00 C ATOM 517 O4' DC B 7 -5.740 -2.148 -0.302 1.00 0.00 O ATOM 518 C3' DC B 7 -7.179 -3.959 0.422 1.00 0.00 C ATOM 519 O3' DC B 7 -7.871 -4.928 -0.373 1.00 0.00 O ATOM 520 C2' DC B 7 -5.719 -4.335 0.638 1.00 0.00 C ATOM 521 C1' DC B 7 -4.900 -3.255 -0.085 1.00 0.00 C ATOM 522 N1 DC B 7 -3.693 -2.785 0.640 1.00 0.00 N ATOM 523 C2 DC B 7 -2.499 -2.622 -0.074 1.00 0.00 C ATOM 524 O2 DC B 7 -2.432 -2.795 -1.297 1.00 0.00 O ATOM 525 N3 DC B 7 -1.386 -2.271 0.608 1.00 0.00 N ATOM 526 C4 DC B 7 -1.426 -2.015 1.896 1.00 0.00 C ATOM 527 N4 DC B 7 -0.291 -1.694 2.468 1.00 0.00 N ATOM 528 C5 DC B 7 -2.625 -2.109 2.655 1.00 0.00 C ATOM 529 C6 DC B 7 -3.745 -2.478 1.982 1.00 0.00 C ATOM 0 H5' DC B 7 -7.441 -0.506 0.638 1.00 0.00 H new ATOM 0 H5'' DC B 7 -8.742 -1.627 0.987 1.00 0.00 H new ATOM 0 H4' DC B 7 -7.670 -2.447 -1.009 1.00 0.00 H new ATOM 0 H3' DC B 7 -7.812 -3.982 1.309 1.00 0.00 H new ATOM 0 H2' DC B 7 -5.476 -4.365 1.700 1.00 0.00 H new ATOM 0 H2'' DC B 7 -5.506 -5.324 0.234 1.00 0.00 H new ATOM 0 H1' DC B 7 -4.537 -3.713 -1.005 1.00 0.00 H new ATOM 0 H41 DC B 7 -0.264 -1.485 3.466 1.00 0.00 H new ATOM 0 H42 DC B 7 0.565 -1.653 1.915 1.00 0.00 H new ATOM 0 H5 DC B 7 -2.644 -1.897 3.714 1.00 0.00 H new ATOM 0 H6 DC B 7 -4.688 -2.532 2.505 1.00 0.00 H new ATOM 541 P DG B 8 -7.810 -5.012 -1.988 1.00 0.00 P ATOM 542 OP1 DG B 8 -8.724 -3.979 -2.513 1.00 0.00 O ATOM 543 OP2 DG B 8 -8.070 -6.424 -2.343 1.00 0.00 O ATOM 544 O5' DG B 8 -6.278 -4.591 -2.299 1.00 0.00 O ATOM 545 C5' DG B 8 -5.393 -5.260 -3.180 1.00 0.00 C ATOM 546 C4' DG B 8 -4.423 -6.279 -2.546 1.00 0.00 C ATOM 547 O4' DG B 8 -3.633 -5.793 -1.470 1.00 0.00 O ATOM 548 C3' DG B 8 -5.061 -7.538 -1.967 1.00 0.00 C ATOM 549 O3' DG B 8 -5.786 -8.343 -2.898 1.00 0.00 O ATOM 550 C2' DG B 8 -3.838 -8.154 -1.287 1.00 0.00 C ATOM 551 C1' DG B 8 -3.077 -6.918 -0.793 1.00 0.00 C ATOM 552 N9 DG B 8 -3.161 -6.726 0.672 1.00 0.00 N ATOM 553 C8 DG B 8 -4.162 -7.087 1.543 1.00 0.00 C ATOM 554 N7 DG B 8 -3.975 -6.694 2.772 1.00 0.00 N ATOM 555 C5 DG B 8 -2.713 -6.091 2.727 1.00 0.00 C ATOM 556 C6 DG B 8 -1.921 -5.495 3.764 1.00 0.00 C ATOM 557 O6 DG B 8 -2.206 -5.329 4.943 1.00 0.00 O ATOM 558 N1 DG B 8 -0.676 -5.069 3.327 1.00 0.00 N ATOM 559 C2 DG B 8 -0.251 -5.161 2.038 1.00 0.00 C ATOM 560 N2 DG B 8 0.956 -4.718 1.780 1.00 0.00 N ATOM 561 N3 DG B 8 -0.972 -5.687 1.044 1.00 0.00 N ATOM 562 C4 DG B 8 -2.198 -6.135 1.454 1.00 0.00 C ATOM 0 H5' DG B 8 -4.802 -4.509 -3.704 1.00 0.00 H new ATOM 0 H5'' DG B 8 -5.988 -5.779 -3.931 1.00 0.00 H new ATOM 0 H4' DG B 8 -3.825 -6.495 -3.431 1.00 0.00 H new ATOM 0 H3' DG B 8 -5.892 -7.373 -1.281 1.00 0.00 H new ATOM 0 H2' DG B 8 -4.119 -8.813 -0.465 1.00 0.00 H new ATOM 0 H2'' DG B 8 -3.243 -8.747 -1.982 1.00 0.00 H new ATOM 0 H1' DG B 8 -2.016 -7.045 -1.010 1.00 0.00 H new ATOM 0 H8 DG B 8 -5.031 -7.649 1.235 1.00 0.00 H new ATOM 0 H1 DG B 8 -0.041 -4.662 4.013 1.00 0.00 H new ATOM 0 H21 DG B 8 1.324 -4.764 0.830 1.00 0.00 H new ATOM 0 H22 DG B 8 1.527 -4.328 2.530 1.00 0.00 H new ATOM 574 P DT B 9 -5.175 -9.439 -3.922 1.00 0.00 P ATOM 575 OP1 DT B 9 -6.279 -9.890 -4.796 1.00 0.00 O ATOM 576 OP2 DT B 9 -4.473 -10.469 -3.133 1.00 0.00 O ATOM 577 O5' DT B 9 -4.081 -8.675 -4.834 1.00 0.00 O ATOM 578 C5' DT B 9 -4.448 -7.729 -5.834 1.00 0.00 C ATOM 579 C4' DT B 9 -3.324 -7.507 -6.850 1.00 0.00 C ATOM 580 O4' DT B 9 -2.154 -7.000 -6.225 1.00 0.00 O ATOM 581 C3' DT B 9 -2.955 -8.813 -7.542 1.00 0.00 C ATOM 582 O3' DT B 9 -2.969 -8.638 -8.934 1.00 0.00 O ATOM 583 C2' DT B 9 -1.573 -9.132 -7.020 1.00 0.00 C ATOM 584 C1' DT B 9 -1.048 -7.729 -6.723 1.00 0.00 C ATOM 585 N1 DT B 9 0.017 -7.783 -5.699 1.00 0.00 N ATOM 586 C2 DT B 9 1.337 -7.566 -6.098 1.00 0.00 C ATOM 587 O2 DT B 9 1.660 -7.244 -7.236 1.00 0.00 O ATOM 588 N3 DT B 9 2.307 -7.761 -5.138 1.00 0.00 N ATOM 589 C4 DT B 9 2.089 -8.183 -3.843 1.00 0.00 C ATOM 590 O4 DT B 9 3.059 -8.323 -3.106 1.00 0.00 O ATOM 591 C5 DT B 9 0.687 -8.419 -3.506 1.00 0.00 C ATOM 592 C7 DT B 9 0.283 -8.962 -2.155 1.00 0.00 C ATOM 593 C6 DT B 9 -0.288 -8.205 -4.424 1.00 0.00 C ATOM 0 H5' DT B 9 -4.702 -6.781 -5.361 1.00 0.00 H new ATOM 0 H5'' DT B 9 -5.342 -8.076 -6.352 1.00 0.00 H new ATOM 0 H4' DT B 9 -3.696 -6.785 -7.577 1.00 0.00 H new ATOM 0 H3' DT B 9 -3.653 -9.625 -7.339 1.00 0.00 H new ATOM 0 H2' DT B 9 -1.602 -9.759 -6.129 1.00 0.00 H new ATOM 0 H2'' DT B 9 -0.963 -9.654 -7.757 1.00 0.00 H new ATOM 0 H1' DT B 9 -0.623 -7.267 -7.614 1.00 0.00 H new ATOM 0 H3 DT B 9 3.273 -7.577 -5.410 1.00 0.00 H new ATOM 0 H71 DT B 9 1.078 -9.599 -1.766 1.00 0.00 H new ATOM 0 H72 DT B 9 0.112 -8.134 -1.467 1.00 0.00 H new ATOM 0 H73 DT B 9 -0.632 -9.545 -2.256 1.00 0.00 H new ATOM 0 H6 DT B 9 -1.320 -8.368 -4.151 1.00 0.00 H new ATOM 606 P DT B 10 -3.678 -9.780 -9.825 1.00 0.00 P ATOM 607 OP1 DT B 10 -3.078 -11.074 -9.433 1.00 0.00 O ATOM 608 OP2 DT B 10 -3.635 -9.325 -11.232 1.00 0.00 O ATOM 609 O5' DT B 10 -5.180 -9.711 -9.183 1.00 0.00 O ATOM 610 C5' DT B 10 -6.380 -10.020 -9.885 1.00 0.00 C ATOM 611 C4' DT B 10 -6.601 -9.026 -11.014 1.00 0.00 C ATOM 612 O4' DT B 10 -6.883 -9.806 -12.111 1.00 0.00 O ATOM 613 C3' DT B 10 -7.695 -7.950 -11.013 1.00 0.00 C ATOM 614 O3' DT B 10 -7.345 -6.742 -10.345 1.00 0.00 O ATOM 615 C2' DT B 10 -7.765 -7.703 -12.523 1.00 0.00 C ATOM 616 C1' DT B 10 -6.950 -8.867 -13.117 1.00 0.00 C ATOM 617 N1 DT B 10 -7.515 -9.564 -14.277 1.00 0.00 N ATOM 618 C2 DT B 10 -6.621 -9.969 -15.268 1.00 0.00 C ATOM 619 O2 DT B 10 -5.409 -9.791 -15.222 1.00 0.00 O ATOM 620 N3 DT B 10 -7.175 -10.583 -16.362 1.00 0.00 N ATOM 621 C4 DT B 10 -8.515 -10.861 -16.535 1.00 0.00 C ATOM 622 O4 DT B 10 -8.864 -11.415 -17.571 1.00 0.00 O ATOM 623 C5 DT B 10 -9.380 -10.461 -15.426 1.00 0.00 C ATOM 624 C7 DT B 10 -10.870 -10.719 -15.459 1.00 0.00 C ATOM 625 C6 DT B 10 -8.857 -9.857 -14.334 1.00 0.00 C ATOM 0 H5' DT B 10 -7.227 -9.996 -9.199 1.00 0.00 H new ATOM 0 H5'' DT B 10 -6.324 -11.031 -10.287 1.00 0.00 H new ATOM 0 H4' DT B 10 -5.698 -8.419 -10.950 1.00 0.00 H new ATOM 0 H3' DT B 10 -8.605 -8.257 -10.497 1.00 0.00 H new ATOM 0 H2' DT B 10 -8.794 -7.709 -12.883 1.00 0.00 H new ATOM 0 H2'' DT B 10 -7.339 -6.737 -12.792 1.00 0.00 H new ATOM 0 H1' DT B 10 -6.014 -8.433 -13.468 1.00 0.00 H new ATOM 0 H3 DT B 10 -6.541 -10.858 -17.113 1.00 0.00 H new ATOM 0 H71 DT B 10 -11.237 -10.861 -14.443 1.00 0.00 H new ATOM 0 H72 DT B 10 -11.377 -9.867 -15.912 1.00 0.00 H new ATOM 0 H73 DT B 10 -11.071 -11.615 -16.046 1.00 0.00 H new ATOM 0 H6 DT B 10 -9.498 -9.604 -13.502 1.00 0.00 H new TER 638 DT B 10