USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.464 (180deg=-1.58) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.455 (180deg=-1.24) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.807 (180deg=-2.33!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.753 -8.334 -1.120 1.00 0.00 O ATOM 2 C5' DG A 1 1.992 -8.763 -1.672 1.00 0.00 C ATOM 3 C4' DG A 1 3.214 -8.074 -1.037 1.00 0.00 C ATOM 4 O4' DG A 1 3.222 -6.687 -1.372 1.00 0.00 O ATOM 5 C3' DG A 1 3.276 -8.196 0.491 1.00 0.00 C ATOM 6 O3' DG A 1 4.619 -8.407 0.892 1.00 0.00 O ATOM 7 C2' DG A 1 2.731 -6.855 0.914 1.00 0.00 C ATOM 8 C1' DG A 1 3.227 -5.919 -0.177 1.00 0.00 C ATOM 9 N9 DG A 1 2.328 -4.753 -0.296 1.00 0.00 N ATOM 10 C8 DG A 1 0.976 -4.750 -0.508 1.00 0.00 C ATOM 11 N7 DG A 1 0.439 -3.563 -0.567 1.00 0.00 N ATOM 12 C5 DG A 1 1.519 -2.703 -0.337 1.00 0.00 C ATOM 13 C6 DG A 1 1.598 -1.268 -0.268 1.00 0.00 C ATOM 14 O6 DG A 1 0.722 -0.421 -0.439 1.00 0.00 O ATOM 15 N1 DG A 1 2.872 -0.810 0.015 1.00 0.00 N ATOM 16 C2 DG A 1 3.951 -1.619 0.207 1.00 0.00 C ATOM 17 N2 DG A 1 5.094 -1.042 0.494 1.00 0.00 N ATOM 18 N3 DG A 1 3.920 -2.948 0.137 1.00 0.00 N ATOM 19 C4 DG A 1 2.675 -3.433 -0.142 1.00 0.00 C ATOM 0 H5' DG A 1 1.991 -8.568 -2.744 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.085 -9.841 -1.544 1.00 0.00 H new ATOM 0 H4' DG A 1 4.083 -8.592 -1.443 1.00 0.00 H new ATOM 0 H3' DG A 1 2.723 -9.027 0.929 1.00 0.00 H new ATOM 0 H2' DG A 1 1.643 -6.863 0.974 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.102 -6.561 1.896 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.017 -8.804 -1.564 1.00 0.00 H new ATOM 0 H1' DG A 1 4.222 -5.530 0.040 1.00 0.00 H new ATOM 0 H8 DG A 1 0.400 -5.657 -0.618 1.00 0.00 H new ATOM 0 H1 DG A 1 3.013 0.198 0.084 1.00 0.00 H new ATOM 0 H21 DG A 1 5.928 -1.610 0.646 1.00 0.00 H new ATOM 0 H22 DG A 1 5.149 -0.026 0.565 1.00 0.00 H new ATOM 32 P DT A 2 5.042 -8.620 2.437 1.00 0.00 P ATOM 33 OP1 DT A 2 6.143 -9.606 2.472 1.00 0.00 O ATOM 34 OP2 DT A 2 3.813 -8.848 3.227 1.00 0.00 O ATOM 35 O5' DT A 2 5.637 -7.174 2.835 1.00 0.00 O ATOM 36 C5' DT A 2 6.845 -6.706 2.255 1.00 0.00 C ATOM 37 C4' DT A 2 7.357 -5.404 2.889 1.00 0.00 C ATOM 38 O4' DT A 2 6.450 -4.342 2.629 1.00 0.00 O ATOM 39 C3' DT A 2 7.566 -5.499 4.405 1.00 0.00 C ATOM 40 O3' DT A 2 8.771 -4.826 4.740 1.00 0.00 O ATOM 41 C2' DT A 2 6.330 -4.798 4.945 1.00 0.00 C ATOM 42 C1' DT A 2 6.062 -3.753 3.860 1.00 0.00 C ATOM 43 N1 DT A 2 4.642 -3.317 3.753 1.00 0.00 N ATOM 44 C2 DT A 2 4.381 -1.944 3.655 1.00 0.00 C ATOM 45 O2 DT A 2 5.245 -1.077 3.745 1.00 0.00 O ATOM 46 N3 DT A 2 3.073 -1.579 3.425 1.00 0.00 N ATOM 47 C4 DT A 2 2.007 -2.442 3.286 1.00 0.00 C ATOM 48 O4 DT A 2 0.905 -1.977 3.015 1.00 0.00 O ATOM 49 C5 DT A 2 2.331 -3.854 3.464 1.00 0.00 C ATOM 50 C7 DT A 2 1.237 -4.908 3.391 1.00 0.00 C ATOM 51 C6 DT A 2 3.616 -4.239 3.677 1.00 0.00 C ATOM 0 H5' DT A 2 6.690 -6.546 1.188 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.610 -7.476 2.354 1.00 0.00 H new ATOM 0 H4' DT A 2 8.329 -5.216 2.432 1.00 0.00 H new ATOM 0 H3' DT A 2 7.668 -6.507 4.807 1.00 0.00 H new ATOM 0 H2' DT A 2 5.492 -5.484 5.067 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.512 -4.340 5.917 1.00 0.00 H new ATOM 0 H1' DT A 2 6.625 -2.855 4.117 1.00 0.00 H new ATOM 0 H3 DT A 2 2.875 -0.581 3.351 1.00 0.00 H new ATOM 0 H71 DT A 2 0.294 -4.478 3.728 1.00 0.00 H new ATOM 0 H72 DT A 2 1.131 -5.252 2.362 1.00 0.00 H new ATOM 0 H73 DT A 2 1.501 -5.751 4.030 1.00 0.00 H new ATOM 0 H6 DT A 2 3.841 -5.289 3.789 1.00 0.00 H new ATOM 64 P DA A 3 9.378 -4.842 6.237 1.00 0.00 P ATOM 65 OP1 DA A 3 10.845 -4.685 6.134 1.00 0.00 O ATOM 66 OP2 DA A 3 8.804 -5.996 6.962 1.00 0.00 O ATOM 67 O5' DA A 3 8.764 -3.488 6.863 1.00 0.00 O ATOM 68 C5' DA A 3 9.242 -2.223 6.440 1.00 0.00 C ATOM 69 C4' DA A 3 8.575 -1.050 7.166 1.00 0.00 C ATOM 70 O4' DA A 3 7.248 -0.875 6.688 1.00 0.00 O ATOM 71 C3' DA A 3 8.519 -1.198 8.694 1.00 0.00 C ATOM 72 O3' DA A 3 9.045 -0.002 9.246 1.00 0.00 O ATOM 73 C2' DA A 3 7.021 -1.371 8.949 1.00 0.00 C ATOM 74 C1' DA A 3 6.405 -0.593 7.787 1.00 0.00 C ATOM 75 N9 DA A 3 5.024 -1.006 7.441 1.00 0.00 N ATOM 76 C8 DA A 3 4.509 -2.275 7.316 1.00 0.00 C ATOM 77 N7 DA A 3 3.274 -2.319 6.896 1.00 0.00 N ATOM 78 C5 DA A 3 2.933 -0.967 6.775 1.00 0.00 C ATOM 79 C6 DA A 3 1.764 -0.270 6.389 1.00 0.00 C ATOM 80 N6 DA A 3 0.655 -0.868 5.987 1.00 0.00 N ATOM 81 N1 DA A 3 1.721 1.067 6.415 1.00 0.00 N ATOM 82 C2 DA A 3 2.823 1.713 6.792 1.00 0.00 C ATOM 83 N3 DA A 3 3.999 1.198 7.139 1.00 0.00 N ATOM 84 C4 DA A 3 3.988 -0.163 7.115 1.00 0.00 C ATOM 0 H5' DA A 3 9.076 -2.119 5.368 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.319 -2.176 6.602 1.00 0.00 H new ATOM 0 H4' DA A 3 9.201 -0.185 6.950 1.00 0.00 H new ATOM 0 H3' DA A 3 9.088 -2.019 9.130 1.00 0.00 H new ATOM 0 H2' DA A 3 6.725 -2.420 8.939 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.723 -0.964 9.915 1.00 0.00 H new ATOM 0 H1' DA A 3 6.332 0.461 8.054 1.00 0.00 H new ATOM 0 H8 DA A 3 5.080 -3.162 7.546 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.157 -0.311 5.721 1.00 0.00 H new ATOM 0 H62 DA A 3 0.612 -1.886 5.943 1.00 0.00 H new ATOM 0 H2 DA A 3 2.753 2.790 6.819 1.00 0.00 H new ATOM 96 P DC A 4 9.210 0.254 10.832 1.00 0.00 P ATOM 97 OP1 DC A 4 10.529 0.882 11.063 1.00 0.00 O ATOM 98 OP2 DC A 4 8.822 -0.969 11.566 1.00 0.00 O ATOM 99 O5' DC A 4 8.071 1.368 11.045 1.00 0.00 O ATOM 100 C5' DC A 4 8.166 2.617 10.375 1.00 0.00 C ATOM 101 C4' DC A 4 6.860 3.410 10.454 1.00 0.00 C ATOM 102 O4' DC A 4 5.802 2.608 9.949 1.00 0.00 O ATOM 103 C3' DC A 4 6.498 3.863 11.874 1.00 0.00 C ATOM 104 O3' DC A 4 6.169 5.245 11.839 1.00 0.00 O ATOM 105 C2' DC A 4 5.290 3.000 12.208 1.00 0.00 C ATOM 106 C1' DC A 4 4.702 2.735 10.821 1.00 0.00 C ATOM 107 N1 DC A 4 3.842 1.521 10.712 1.00 0.00 N ATOM 108 C2 DC A 4 2.628 1.639 10.034 1.00 0.00 C ATOM 109 O2 DC A 4 2.207 2.727 9.648 1.00 0.00 O ATOM 110 N3 DC A 4 1.865 0.543 9.800 1.00 0.00 N ATOM 111 C4 DC A 4 2.243 -0.624 10.279 1.00 0.00 C ATOM 112 N4 DC A 4 1.498 -1.651 9.956 1.00 0.00 N ATOM 113 C5 DC A 4 3.403 -0.782 11.090 1.00 0.00 C ATOM 114 C6 DC A 4 4.203 0.306 11.247 1.00 0.00 C ATOM 0 H5' DC A 4 8.426 2.449 9.330 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.973 3.203 10.814 1.00 0.00 H new ATOM 0 H4' DC A 4 7.006 4.312 9.860 1.00 0.00 H new ATOM 0 H3' DC A 4 7.294 3.752 12.611 1.00 0.00 H new ATOM 0 H2' DC A 4 5.574 2.078 12.715 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.585 3.517 12.859 1.00 0.00 H new ATOM 0 H1' DC A 4 4.036 3.563 10.577 1.00 0.00 H new ATOM 0 H41 DC A 4 1.738 -2.582 10.296 1.00 0.00 H new ATOM 0 H42 DC A 4 0.677 -1.520 9.365 1.00 0.00 H new ATOM 0 H5 DC A 4 3.637 -1.726 11.560 1.00 0.00 H new ATOM 0 H6 DC A 4 5.129 0.216 11.796 1.00 0.00 H new HETATM 126 P NCX A 5 6.122 6.149 13.177 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.266 7.563 12.772 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.061 5.568 14.161 1.00 0.00 O HETATM 129 O5' NCX A 5 4.621 5.932 13.727 1.00 0.00 O HETATM 130 C5' NCX A 5 3.513 6.600 13.140 1.00 0.00 C HETATM 131 C4' NCX A 5 2.215 6.409 13.941 1.00 0.00 C HETATM 132 O4' NCX A 5 1.611 5.155 13.646 1.00 0.00 O HETATM 133 C1' NCX A 5 1.297 4.511 14.869 1.00 0.00 C HETATM 134 N9 NCX A 5 1.254 3.046 14.661 1.00 0.00 N HETATM 135 C8 NCX A 5 2.259 2.107 14.905 1.00 0.00 C HETATM 136 C7 NCX A 5 1.770 0.833 14.669 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.600 -0.386 14.738 1.00 0.00 C HETATM 138 O7 NCX A 5 3.732 -0.452 15.154 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.074 -1.506 14.244 1.00 0.00 N HETATM 140 C5 NCX A 5 0.377 1.012 14.436 1.00 0.00 C HETATM 141 C4 NCX A 5 0.127 2.351 14.388 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.158 2.842 14.163 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.213 1.928 14.148 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.978 0.552 14.328 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.116 -0.401 14.484 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.845 -1.591 14.506 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.244 0.061 14.547 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.655 0.088 14.407 1.00 0.00 C HETATM 149 C3' NCX A 5 2.419 6.478 15.463 1.00 0.00 C HETATM 150 C2' NCX A 5 2.358 5.007 15.849 1.00 0.00 C HETATM 151 O3' NCX A 5 1.336 7.211 16.005 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.608 -2.374 14.269 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.137 -1.495 13.841 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.735 7.664 13.063 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.063 4.862 16.888 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.272 2.341 15.231 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.444 -0.981 14.445 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.367 6.230 12.125 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.573 7.236 13.637 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.334 6.960 15.808 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.334 3.906 14.004 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.315 4.503 15.716 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.232 2.284 13.995 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.311 4.745 15.271 1.00 0.00 H new ATOM 165 P DA A 6 1.362 7.853 17.483 1.00 0.00 P ATOM 166 OP1 DA A 6 1.631 9.301 17.369 1.00 0.00 O ATOM 167 OP2 DA A 6 2.174 7.000 18.376 1.00 0.00 O ATOM 168 O5' DA A 6 -0.175 7.641 17.888 1.00 0.00 O ATOM 169 C5' DA A 6 -1.219 8.239 17.140 1.00 0.00 C ATOM 170 C4' DA A 6 -2.576 7.608 17.479 1.00 0.00 C ATOM 171 O4' DA A 6 -2.561 6.228 17.128 1.00 0.00 O ATOM 172 C3' DA A 6 -2.949 7.727 18.958 1.00 0.00 C ATOM 173 O3' DA A 6 -4.350 7.951 19.041 1.00 0.00 O ATOM 174 C2' DA A 6 -2.493 6.380 19.501 1.00 0.00 C ATOM 175 C1' DA A 6 -2.628 5.435 18.302 1.00 0.00 C ATOM 176 N9 DA A 6 -1.588 4.370 18.264 1.00 0.00 N ATOM 177 C8 DA A 6 -0.243 4.438 18.555 1.00 0.00 C ATOM 178 N7 DA A 6 0.378 3.288 18.510 1.00 0.00 N ATOM 179 C5 DA A 6 -0.628 2.394 18.134 1.00 0.00 C ATOM 180 C6 DA A 6 -0.674 1.001 17.895 1.00 0.00 C ATOM 181 N6 DA A 6 0.371 0.193 18.008 1.00 0.00 N ATOM 182 N1 DA A 6 -1.815 0.416 17.509 1.00 0.00 N ATOM 183 C2 DA A 6 -2.893 1.186 17.372 1.00 0.00 C ATOM 184 N3 DA A 6 -3.001 2.493 17.580 1.00 0.00 N ATOM 185 C4 DA A 6 -1.820 3.047 17.963 1.00 0.00 C ATOM 0 H5' DA A 6 -1.018 8.125 16.075 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.251 9.309 17.346 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.323 8.158 16.907 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.499 8.546 19.519 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.466 6.422 19.863 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.113 6.056 20.337 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.580 4.909 18.383 1.00 0.00 H new ATOM 0 H8 DA A 6 0.257 5.364 18.800 1.00 0.00 H new ATOM 0 H61 DA A 6 0.267 -0.804 17.820 1.00 0.00 H new ATOM 0 H62 DA A 6 1.279 0.569 18.283 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.794 0.684 17.051 1.00 0.00 H new ATOM 197 P DC A 7 -5.138 8.083 20.445 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.298 8.978 20.247 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.159 8.355 21.519 1.00 0.00 O ATOM 200 O5' DC A 7 -5.683 6.579 20.620 1.00 0.00 O ATOM 201 C5' DC A 7 -6.626 6.047 19.705 1.00 0.00 C ATOM 202 C4' DC A 7 -6.883 4.553 19.929 1.00 0.00 C ATOM 203 O4' DC A 7 -5.680 3.816 19.708 1.00 0.00 O ATOM 204 C3' DC A 7 -7.386 4.201 21.339 1.00 0.00 C ATOM 205 O3' DC A 7 -8.400 3.219 21.210 1.00 0.00 O ATOM 206 C2' DC A 7 -6.110 3.693 21.973 1.00 0.00 C ATOM 207 C1' DC A 7 -5.520 2.921 20.792 1.00 0.00 C ATOM 208 N1 DC A 7 -4.092 2.542 20.972 1.00 0.00 N ATOM 209 C2 DC A 7 -3.698 1.227 20.692 1.00 0.00 C ATOM 210 O2 DC A 7 -4.490 0.387 20.270 1.00 0.00 O ATOM 211 N3 DC A 7 -2.412 0.841 20.901 1.00 0.00 N ATOM 212 C4 DC A 7 -1.549 1.708 21.395 1.00 0.00 C ATOM 213 N4 DC A 7 -0.318 1.290 21.553 1.00 0.00 N ATOM 214 C5 DC A 7 -1.900 3.052 21.710 1.00 0.00 C ATOM 215 C6 DC A 7 -3.176 3.434 21.473 1.00 0.00 C ATOM 0 H5' DC A 7 -6.267 6.202 18.687 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.565 6.592 19.798 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.668 4.289 19.221 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.840 4.999 21.926 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.461 4.501 22.309 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.298 3.055 22.836 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.020 1.962 20.654 1.00 0.00 H new ATOM 0 H41 DC A 7 0.390 1.920 21.931 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.067 0.335 21.298 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.176 3.739 22.122 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.477 4.450 21.680 1.00 0.00 H new ATOM 227 P DG A 8 -9.280 2.697 22.454 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.712 2.875 22.131 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.725 3.229 23.716 1.00 0.00 O ATOM 230 O5' DG A 8 -8.940 1.132 22.384 1.00 0.00 O ATOM 231 C5' DG A 8 -9.313 0.364 21.250 1.00 0.00 C ATOM 232 C4' DG A 8 -9.083 -1.134 21.475 1.00 0.00 C ATOM 233 O4' DG A 8 -7.688 -1.387 21.481 1.00 0.00 O ATOM 234 C3' DG A 8 -9.665 -1.630 22.809 1.00 0.00 C ATOM 235 O3' DG A 8 -10.156 -2.959 22.712 1.00 0.00 O ATOM 236 C2' DG A 8 -8.451 -1.602 23.727 1.00 0.00 C ATOM 237 C1' DG A 8 -7.320 -1.903 22.746 1.00 0.00 C ATOM 238 N9 DG A 8 -6.028 -1.329 23.169 1.00 0.00 N ATOM 239 C8 DG A 8 -5.679 -0.018 23.379 1.00 0.00 C ATOM 240 N7 DG A 8 -4.424 0.150 23.707 1.00 0.00 N ATOM 241 C5 DG A 8 -3.906 -1.151 23.728 1.00 0.00 C ATOM 242 C6 DG A 8 -2.587 -1.659 23.999 1.00 0.00 C ATOM 243 O6 DG A 8 -1.544 -1.060 24.255 1.00 0.00 O ATOM 244 N1 DG A 8 -2.517 -3.041 23.959 1.00 0.00 N ATOM 245 C2 DG A 8 -3.570 -3.856 23.673 1.00 0.00 C ATOM 246 N2 DG A 8 -3.355 -5.150 23.670 1.00 0.00 N ATOM 247 N3 DG A 8 -4.801 -3.424 23.406 1.00 0.00 N ATOM 248 C4 DG A 8 -4.900 -2.061 23.441 1.00 0.00 C ATOM 0 H5' DG A 8 -8.739 0.693 20.384 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.364 0.540 21.022 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.590 -1.664 20.669 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.507 -1.026 23.147 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.326 -0.634 24.212 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.518 -2.349 24.518 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.516 -3.239 23.579 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.178 -2.983 22.706 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.377 0.800 23.282 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.617 -3.478 24.157 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.118 -5.793 23.460 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.424 -5.513 23.877 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.983 -8.199 25.230 1.00 0.00 O ATOM 263 C5' DC B 9 4.169 -9.076 25.998 1.00 0.00 C ATOM 264 C4' DC B 9 2.716 -9.145 25.494 1.00 0.00 C ATOM 265 O4' DC B 9 2.075 -7.891 25.693 1.00 0.00 O ATOM 266 C3' DC B 9 2.591 -9.507 24.009 1.00 0.00 C ATOM 267 O3' DC B 9 1.500 -10.400 23.844 1.00 0.00 O ATOM 268 C2' DC B 9 2.326 -8.150 23.378 1.00 0.00 C ATOM 269 C1' DC B 9 1.481 -7.495 24.469 1.00 0.00 C ATOM 270 N1 DC B 9 1.436 -6.010 24.386 1.00 0.00 N ATOM 271 C2 DC B 9 0.190 -5.375 24.339 1.00 0.00 C ATOM 272 O2 DC B 9 -0.861 -6.012 24.349 1.00 0.00 O ATOM 273 N3 DC B 9 0.112 -4.022 24.287 1.00 0.00 N ATOM 274 C4 DC B 9 1.226 -3.312 24.243 1.00 0.00 C ATOM 275 N4 DC B 9 1.076 -2.011 24.191 1.00 0.00 N ATOM 276 C5 DC B 9 2.525 -3.903 24.310 1.00 0.00 C ATOM 277 C6 DC B 9 2.588 -5.258 24.389 1.00 0.00 C ATOM 0 H5' DC B 9 4.172 -8.748 27.038 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.602 -10.076 25.978 1.00 0.00 H new ATOM 0 H4' DC B 9 2.242 -9.940 26.071 1.00 0.00 H new ATOM 0 H3' DC B 9 3.454 -10.008 23.571 1.00 0.00 H new ATOM 0 H2' DC B 9 3.245 -7.599 23.179 1.00 0.00 H new ATOM 0 H2'' DC B 9 1.791 -8.230 22.432 1.00 0.00 H new ATOM 0 HO5' DC B 9 5.892 -8.193 25.595 1.00 0.00 H new ATOM 0 H1' DC B 9 0.444 -7.814 24.366 1.00 0.00 H new ATOM 0 H41 DC B 9 1.895 -1.404 24.155 1.00 0.00 H new ATOM 0 H42 DC B 9 0.140 -1.605 24.186 1.00 0.00 H new ATOM 0 H5 DC B 9 3.420 -3.298 24.298 1.00 0.00 H new ATOM 0 H6 DC B 9 3.548 -5.748 24.455 1.00 0.00 H new ATOM 290 P DG B 10 1.190 -11.125 22.434 1.00 0.00 P ATOM 291 OP1 DG B 10 0.506 -12.402 22.727 1.00 0.00 O ATOM 292 OP2 DG B 10 2.437 -11.120 21.638 1.00 0.00 O ATOM 293 O5' DG B 10 0.133 -10.125 21.734 1.00 0.00 O ATOM 294 C5' DG B 10 -1.231 -10.111 22.132 1.00 0.00 C ATOM 295 C4' DG B 10 -2.094 -9.153 21.297 1.00 0.00 C ATOM 296 O4' DG B 10 -1.830 -7.806 21.666 1.00 0.00 O ATOM 297 C3' DG B 10 -1.901 -9.280 19.776 1.00 0.00 C ATOM 298 O3' DG B 10 -3.167 -9.401 19.143 1.00 0.00 O ATOM 299 C2' DG B 10 -1.228 -7.961 19.430 1.00 0.00 C ATOM 300 C1' DG B 10 -1.815 -7.031 20.485 1.00 0.00 C ATOM 301 N9 DG B 10 -1.007 -5.808 20.673 1.00 0.00 N ATOM 302 C8 DG B 10 0.348 -5.693 20.848 1.00 0.00 C ATOM 303 N7 DG B 10 0.773 -4.470 20.985 1.00 0.00 N ATOM 304 C5 DG B 10 -0.389 -3.703 20.858 1.00 0.00 C ATOM 305 C6 DG B 10 -0.601 -2.281 20.885 1.00 0.00 C ATOM 306 O6 DG B 10 0.205 -1.371 21.065 1.00 0.00 O ATOM 307 N1 DG B 10 -1.922 -1.926 20.679 1.00 0.00 N ATOM 308 C2 DG B 10 -2.932 -2.813 20.469 1.00 0.00 C ATOM 309 N2 DG B 10 -4.131 -2.323 20.273 1.00 0.00 N ATOM 310 N3 DG B 10 -2.774 -4.136 20.436 1.00 0.00 N ATOM 311 C4 DG B 10 -1.480 -4.519 20.644 1.00 0.00 C ATOM 0 H5' DG B 10 -1.294 -9.825 23.182 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.637 -11.119 22.052 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.123 -9.438 21.516 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.324 -10.149 19.459 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.142 -8.025 19.499 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.465 -7.633 18.418 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.804 -6.676 20.194 1.00 0.00 H new ATOM 0 H8 DG B 10 1.009 -6.547 20.870 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.154 -0.933 20.685 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.918 -2.951 20.111 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.277 -1.314 20.282 1.00 0.00 H new ATOM 323 P DT B 11 -3.316 -9.715 17.561 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.277 -10.828 17.406 1.00 0.00 O ATOM 325 OP2 DT B 11 -1.964 -9.815 16.969 1.00 0.00 O ATOM 326 O5' DT B 11 -3.999 -8.366 16.999 1.00 0.00 O ATOM 327 C5' DT B 11 -5.378 -8.109 17.226 1.00 0.00 C ATOM 328 C4' DT B 11 -5.843 -6.788 16.600 1.00 0.00 C ATOM 329 O4' DT B 11 -5.186 -5.737 17.294 1.00 0.00 O ATOM 330 C3' DT B 11 -5.607 -6.686 15.098 1.00 0.00 C ATOM 331 O3' DT B 11 -6.837 -6.332 14.480 1.00 0.00 O ATOM 332 C2' DT B 11 -4.632 -5.534 15.018 1.00 0.00 C ATOM 333 C1' DT B 11 -4.682 -4.815 16.361 1.00 0.00 C ATOM 334 N1 DT B 11 -3.360 -4.298 16.800 1.00 0.00 N ATOM 335 C2 DT B 11 -3.271 -2.939 17.114 1.00 0.00 C ATOM 336 O2 DT B 11 -4.239 -2.186 17.168 1.00 0.00 O ATOM 337 N3 DT B 11 -2.010 -2.447 17.361 1.00 0.00 N ATOM 338 C4 DT B 11 -0.842 -3.178 17.367 1.00 0.00 C ATOM 339 O4 DT B 11 0.208 -2.582 17.589 1.00 0.00 O ATOM 340 C5 DT B 11 -1.011 -4.611 17.107 1.00 0.00 C ATOM 341 C7 DT B 11 0.185 -5.554 17.137 1.00 0.00 C ATOM 342 C6 DT B 11 -2.246 -5.114 16.834 1.00 0.00 C ATOM 0 H5' DT B 11 -5.567 -8.085 18.299 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.969 -8.929 16.817 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.926 -6.724 16.705 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.246 -7.596 14.618 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.625 -5.895 14.811 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.901 -4.857 14.207 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.319 -3.935 16.273 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.933 -1.449 17.558 1.00 0.00 H new ATOM 0 H71 DT B 11 1.082 -5.013 16.837 1.00 0.00 H new ATOM 0 H72 DT B 11 0.316 -5.943 18.147 1.00 0.00 H new ATOM 0 H73 DT B 11 0.013 -6.382 16.449 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.357 -6.171 16.640 1.00 0.00 H new ATOM 355 P DT B 12 -7.067 -6.400 12.881 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.477 -6.771 12.639 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.972 -7.194 12.282 1.00 0.00 O ATOM 358 O5' DT B 12 -6.867 -4.867 12.443 1.00 0.00 O ATOM 359 C5' DT B 12 -7.728 -3.849 12.932 1.00 0.00 C ATOM 360 C4' DT B 12 -7.377 -2.477 12.341 1.00 0.00 C ATOM 361 O4' DT B 12 -6.028 -2.165 12.673 1.00 0.00 O ATOM 362 C3' DT B 12 -7.523 -2.421 10.811 1.00 0.00 C ATOM 363 O3' DT B 12 -8.081 -1.168 10.429 1.00 0.00 O ATOM 364 C2' DT B 12 -6.069 -2.541 10.378 1.00 0.00 C ATOM 365 C1' DT B 12 -5.386 -1.743 11.487 1.00 0.00 C ATOM 366 N1 DT B 12 -3.915 -1.951 11.551 1.00 0.00 N ATOM 367 C2 DT B 12 -3.104 -0.813 11.471 1.00 0.00 C ATOM 368 O2 DT B 12 -3.525 0.329 11.337 1.00 0.00 O ATOM 369 N3 DT B 12 -1.749 -0.994 11.636 1.00 0.00 N ATOM 370 C4 DT B 12 -1.145 -2.176 11.993 1.00 0.00 C ATOM 371 O4 DT B 12 0.032 -2.156 12.355 1.00 0.00 O ATOM 372 C5 DT B 12 -2.023 -3.339 11.953 1.00 0.00 C ATOM 373 C7 DT B 12 -1.411 -4.702 12.173 1.00 0.00 C ATOM 374 C6 DT B 12 -3.365 -3.205 11.747 1.00 0.00 C ATOM 0 H5' DT B 12 -7.659 -3.805 14.019 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.761 -4.097 12.687 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.079 -1.759 12.765 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.174 -3.178 10.374 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.730 -3.576 10.343 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.893 -2.114 9.391 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.484 -0.671 11.313 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.145 -0.187 11.481 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.147 -5.361 12.634 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.099 -5.120 11.216 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.545 -4.610 12.828 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.999 -4.079 11.737 1.00 0.00 H new ATOM 387 P DG B 13 -8.741 -0.918 8.970 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.208 -0.831 9.135 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.159 -1.885 8.017 1.00 0.00 O ATOM 390 O5' DG B 13 -8.184 0.540 8.564 1.00 0.00 O ATOM 391 C5' DG B 13 -8.655 1.717 9.201 1.00 0.00 C ATOM 392 C4' DG B 13 -7.720 2.918 8.976 1.00 0.00 C ATOM 393 O4' DG B 13 -6.429 2.564 9.461 1.00 0.00 O ATOM 394 C3' DG B 13 -7.571 3.400 7.523 1.00 0.00 C ATOM 395 O3' DG B 13 -7.414 4.815 7.505 1.00 0.00 O ATOM 396 C2' DG B 13 -6.327 2.662 7.103 1.00 0.00 C ATOM 397 C1' DG B 13 -5.511 2.571 8.382 1.00 0.00 C ATOM 398 N9 DG B 13 -4.663 1.362 8.341 1.00 0.00 N ATOM 399 C8 DG B 13 -4.989 0.062 8.035 1.00 0.00 C ATOM 400 N7 DG B 13 -3.973 -0.760 8.037 1.00 0.00 N ATOM 401 C5 DG B 13 -2.888 0.060 8.355 1.00 0.00 C ATOM 402 C6 DG B 13 -1.502 -0.234 8.587 1.00 0.00 C ATOM 403 O6 DG B 13 -0.908 -1.311 8.597 1.00 0.00 O ATOM 404 N1 DG B 13 -0.762 0.884 8.912 1.00 0.00 N ATOM 405 C2 DG B 13 -1.267 2.147 8.992 1.00 0.00 C ATOM 406 N2 DG B 13 -0.449 3.134 9.260 1.00 0.00 N ATOM 407 N3 DG B 13 -2.539 2.459 8.783 1.00 0.00 N ATOM 408 C4 DG B 13 -3.305 1.366 8.496 1.00 0.00 C ATOM 0 H5' DG B 13 -8.755 1.533 10.271 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.649 1.958 8.825 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.180 3.750 9.508 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.418 3.208 6.864 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.562 1.674 6.707 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.788 3.198 6.322 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.834 3.417 8.501 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.998 -0.253 7.812 1.00 0.00 H new ATOM 0 H1 DG B 13 0.231 0.756 9.106 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.805 4.088 9.325 1.00 0.00 H new ATOM 0 H22 DG B 13 0.544 2.949 9.404 1.00 0.00 H new ATOM 420 P DT B 14 -7.197 5.668 6.142 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.991 6.910 6.250 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.385 4.769 4.982 1.00 0.00 O ATOM 423 O5' DT B 14 -5.632 6.061 6.216 1.00 0.00 O ATOM 424 C5' DT B 14 -5.160 6.954 7.216 1.00 0.00 C ATOM 425 C4' DT B 14 -3.665 7.290 7.091 1.00 0.00 C ATOM 426 O4' DT B 14 -2.891 6.108 7.251 1.00 0.00 O ATOM 427 C3' DT B 14 -3.267 7.946 5.762 1.00 0.00 C ATOM 428 O3' DT B 14 -2.309 8.965 6.018 1.00 0.00 O ATOM 429 C2' DT B 14 -2.686 6.774 4.993 1.00 0.00 C ATOM 430 C1' DT B 14 -2.067 5.933 6.112 1.00 0.00 C ATOM 431 N1 DT B 14 -1.976 4.483 5.794 1.00 0.00 N ATOM 432 C2 DT B 14 -0.755 3.836 6.017 1.00 0.00 C ATOM 433 O2 DT B 14 0.261 4.409 6.400 1.00 0.00 O ATOM 434 N3 DT B 14 -0.719 2.481 5.779 1.00 0.00 N ATOM 435 C4 DT B 14 -1.772 1.719 5.315 1.00 0.00 C ATOM 436 O4 DT B 14 -1.594 0.515 5.151 1.00 0.00 O ATOM 437 C5 DT B 14 -3.009 2.455 5.071 1.00 0.00 C ATOM 438 C7 DT B 14 -4.239 1.734 4.541 1.00 0.00 C ATOM 439 C6 DT B 14 -3.072 3.790 5.324 1.00 0.00 C ATOM 0 H5' DT B 14 -5.344 6.516 8.197 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.736 7.878 7.166 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.468 8.018 7.878 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.074 8.435 5.216 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.453 6.225 4.446 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.942 7.094 4.264 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.042 6.268 6.268 1.00 0.00 H new ATOM 0 H3 DT B 14 0.161 1.999 5.961 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.929 0.891 3.924 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.837 1.371 5.377 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.834 2.423 3.942 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.999 4.318 5.153 1.00 0.00 H new ATOM 452 P DA B 15 -1.690 9.890 4.843 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.323 11.197 5.429 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.595 9.830 3.675 1.00 0.00 O ATOM 455 O5' DA B 15 -0.334 9.098 4.472 1.00 0.00 O ATOM 456 C5' DA B 15 0.769 9.095 5.366 1.00 0.00 C ATOM 457 C4' DA B 15 1.971 8.314 4.818 1.00 0.00 C ATOM 458 O4' DA B 15 1.684 6.920 4.806 1.00 0.00 O ATOM 459 C3' DA B 15 2.374 8.729 3.396 1.00 0.00 C ATOM 460 O3' DA B 15 3.767 9.006 3.366 1.00 0.00 O ATOM 461 C2' DA B 15 2.011 7.491 2.592 1.00 0.00 C ATOM 462 C1' DA B 15 2.196 6.367 3.610 1.00 0.00 C ATOM 463 N9 DA B 15 1.453 5.130 3.265 1.00 0.00 N ATOM 464 C8 DA B 15 0.144 5.004 2.863 1.00 0.00 C ATOM 465 N7 DA B 15 -0.246 3.777 2.654 1.00 0.00 N ATOM 466 C5 DA B 15 0.903 3.029 2.938 1.00 0.00 C ATOM 467 C6 DA B 15 1.207 1.647 2.933 1.00 0.00 C ATOM 468 N6 DA B 15 0.322 0.702 2.665 1.00 0.00 N ATOM 469 N1 DA B 15 2.441 1.217 3.220 1.00 0.00 N ATOM 470 C2 DA B 15 3.359 2.126 3.533 1.00 0.00 C ATOM 471 N3 DA B 15 3.218 3.448 3.592 1.00 0.00 N ATOM 472 C4 DA B 15 1.949 3.843 3.291 1.00 0.00 C ATOM 0 H5' DA B 15 0.460 8.660 6.316 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.070 10.123 5.569 1.00 0.00 H new ATOM 0 H4' DA B 15 2.803 8.545 5.483 1.00 0.00 H new ATOM 0 H3' DA B 15 1.890 9.628 3.016 1.00 0.00 H new ATOM 0 H2' DA B 15 0.988 7.536 2.219 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.661 7.365 1.726 1.00 0.00 H new ATOM 0 H1' DA B 15 3.239 6.056 3.666 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.509 5.854 2.731 1.00 0.00 H new ATOM 0 H61 DA B 15 0.603 -0.278 2.677 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.642 0.953 2.446 1.00 0.00 H new ATOM 0 H2 DA B 15 4.341 1.744 3.769 1.00 0.00 H new ATOM 484 P DC B 16 4.495 9.613 2.059 1.00 0.00 P ATOM 485 OP1 DC B 16 5.616 10.476 2.489 1.00 0.00 O ATOM 486 OP2 DC B 16 3.472 10.129 1.127 1.00 0.00 O ATOM 487 O5' DC B 16 5.116 8.281 1.414 1.00 0.00 O ATOM 488 C5' DC B 16 6.256 7.665 1.986 1.00 0.00 C ATOM 489 C4' DC B 16 6.620 6.381 1.239 1.00 0.00 C ATOM 490 O4' DC B 16 5.747 5.327 1.590 1.00 0.00 O ATOM 491 C3' DC B 16 6.537 6.495 -0.284 1.00 0.00 C ATOM 492 O3' DC B 16 7.707 7.059 -0.846 1.00 0.00 O ATOM 493 C2' DC B 16 6.380 5.034 -0.684 1.00 0.00 C ATOM 494 C1' DC B 16 5.778 4.361 0.558 1.00 0.00 C ATOM 495 N1 DC B 16 4.398 3.876 0.307 1.00 0.00 N ATOM 496 C2 DC B 16 4.167 2.499 0.243 1.00 0.00 C ATOM 497 O2 DC B 16 5.072 1.685 0.423 1.00 0.00 O ATOM 498 N3 DC B 16 2.930 2.030 -0.043 1.00 0.00 N ATOM 499 C4 DC B 16 1.943 2.887 -0.245 1.00 0.00 C ATOM 500 N4 DC B 16 0.765 2.357 -0.453 1.00 0.00 N ATOM 501 C5 DC B 16 2.124 4.303 -0.206 1.00 0.00 C ATOM 502 C6 DC B 16 3.374 4.760 0.074 1.00 0.00 C ATOM 0 H5' DC B 16 6.063 7.437 3.034 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.098 8.356 1.960 1.00 0.00 H new ATOM 0 H4' DC B 16 7.652 6.190 1.533 1.00 0.00 H new ATOM 0 H3' DC B 16 5.736 7.149 -0.630 1.00 0.00 H new ATOM 0 H2' DC B 16 5.727 4.927 -1.550 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.339 4.590 -0.951 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.610 7.111 -1.820 1.00 0.00 H new ATOM 0 H1' DC B 16 6.386 3.498 0.828 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.043 2.958 -0.616 1.00 0.00 H new ATOM 0 H42 DC B 16 0.655 1.343 -0.452 1.00 0.00 H new ATOM 0 H5 DC B 16 1.304 4.981 -0.391 1.00 0.00 H new ATOM 0 H6 DC B 16 3.562 5.823 0.113 1.00 0.00 H new TER 515 DC B 16