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 31:sc= 0.0822 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.887 (180deg=-2.16!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 31:sc= 0.0708 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.226 (180deg=-1.02) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.74 (180deg=-2.29!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.117 -8.437 -1.594 1.00 0.00 O ATOM 2 C5' DG A 1 2.454 -8.850 -1.797 1.00 0.00 C ATOM 3 C4' DG A 1 3.421 -7.908 -1.072 1.00 0.00 C ATOM 4 O4' DG A 1 3.100 -6.554 -1.393 1.00 0.00 O ATOM 5 C3' DG A 1 3.386 -8.057 0.456 1.00 0.00 C ATOM 6 O3' DG A 1 4.716 -8.201 0.925 1.00 0.00 O ATOM 7 C2' DG A 1 2.741 -6.760 0.884 1.00 0.00 C ATOM 8 C1' DG A 1 3.165 -5.788 -0.201 1.00 0.00 C ATOM 9 N9 DG A 1 2.251 -4.626 -0.250 1.00 0.00 N ATOM 10 C8 DG A 1 0.884 -4.621 -0.359 1.00 0.00 C ATOM 11 N7 DG A 1 0.350 -3.434 -0.415 1.00 0.00 N ATOM 12 C5 DG A 1 1.443 -2.575 -0.267 1.00 0.00 C ATOM 13 C6 DG A 1 1.526 -1.141 -0.226 1.00 0.00 C ATOM 14 O6 DG A 1 0.642 -0.297 -0.368 1.00 0.00 O ATOM 15 N1 DG A 1 2.811 -0.681 -0.007 1.00 0.00 N ATOM 16 C2 DG A 1 3.899 -1.487 0.144 1.00 0.00 C ATOM 17 N2 DG A 1 5.049 -0.906 0.380 1.00 0.00 N ATOM 18 N3 DG A 1 3.865 -2.818 0.082 1.00 0.00 N ATOM 19 C4 DG A 1 2.607 -3.303 -0.128 1.00 0.00 C ATOM 0 H5' DG A 1 2.679 -8.862 -2.863 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.586 -9.868 -1.432 1.00 0.00 H new ATOM 0 H4' DG A 1 4.422 -8.177 -1.410 1.00 0.00 H new ATOM 0 H3' DG A 1 2.846 -8.922 0.841 1.00 0.00 H new ATOM 0 H2' DG A 1 1.656 -6.850 0.943 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.088 -6.443 1.867 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.087 -7.463 -1.492 1.00 0.00 H new ATOM 0 H1' DG A 1 4.158 -5.372 -0.034 1.00 0.00 H new ATOM 0 H8 DG A 1 0.298 -5.527 -0.395 1.00 0.00 H new ATOM 0 H1 DG A 1 2.954 0.328 0.045 1.00 0.00 H new ATOM 0 H21 DG A 1 5.890 -1.470 0.500 1.00 0.00 H new ATOM 0 H22 DG A 1 5.103 0.111 0.444 1.00 0.00 H new ATOM 32 P DT A 2 5.069 -8.465 2.478 1.00 0.00 P ATOM 33 OP1 DT A 2 6.104 -9.517 2.536 1.00 0.00 O ATOM 34 OP2 DT A 2 3.804 -8.616 3.230 1.00 0.00 O ATOM 35 O5' DT A 2 5.736 -7.059 2.893 1.00 0.00 O ATOM 36 C5' DT A 2 6.971 -6.653 2.324 1.00 0.00 C ATOM 37 C4' DT A 2 7.502 -5.344 2.923 1.00 0.00 C ATOM 38 O4' DT A 2 6.605 -4.280 2.636 1.00 0.00 O ATOM 39 C3' DT A 2 7.706 -5.407 4.442 1.00 0.00 C ATOM 40 O3' DT A 2 8.900 -4.715 4.769 1.00 0.00 O ATOM 41 C2' DT A 2 6.457 -4.713 4.959 1.00 0.00 C ATOM 42 C1' DT A 2 6.182 -3.690 3.853 1.00 0.00 C ATOM 43 N1 DT A 2 4.755 -3.282 3.727 1.00 0.00 N ATOM 44 C2 DT A 2 4.475 -1.915 3.609 1.00 0.00 C ATOM 45 O2 DT A 2 5.328 -1.034 3.666 1.00 0.00 O ATOM 46 N3 DT A 2 3.158 -1.568 3.402 1.00 0.00 N ATOM 47 C4 DT A 2 2.101 -2.447 3.297 1.00 0.00 C ATOM 48 O4 DT A 2 0.988 -1.997 3.045 1.00 0.00 O ATOM 49 C5 DT A 2 2.447 -3.854 3.480 1.00 0.00 C ATOM 50 C7 DT A 2 1.366 -4.923 3.441 1.00 0.00 C ATOM 51 C6 DT A 2 3.741 -4.220 3.673 1.00 0.00 C ATOM 0 H5' DT A 2 6.847 -6.530 1.248 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.710 -7.441 2.472 1.00 0.00 H new ATOM 0 H4' DT A 2 8.476 -5.176 2.464 1.00 0.00 H new ATOM 0 H3' DT A 2 7.820 -6.404 4.866 1.00 0.00 H new ATOM 0 H2' DT A 2 5.627 -5.408 5.088 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.625 -4.235 5.924 1.00 0.00 H new ATOM 0 H1' DT A 2 6.723 -2.777 4.102 1.00 0.00 H new ATOM 0 H3 DT A 2 2.946 -0.574 3.319 1.00 0.00 H new ATOM 0 H71 DT A 2 0.425 -4.502 3.796 1.00 0.00 H new ATOM 0 H72 DT A 2 1.242 -5.278 2.418 1.00 0.00 H new ATOM 0 H73 DT A 2 1.655 -5.756 4.081 1.00 0.00 H new ATOM 0 H6 DT A 2 3.983 -5.266 3.787 1.00 0.00 H new ATOM 64 P DA A 3 9.506 -4.706 6.265 1.00 0.00 P ATOM 65 OP1 DA A 3 10.970 -4.519 6.163 1.00 0.00 O ATOM 66 OP2 DA A 3 8.956 -5.866 6.999 1.00 0.00 O ATOM 67 O5' DA A 3 8.861 -3.361 6.876 1.00 0.00 O ATOM 68 C5' DA A 3 9.313 -2.089 6.442 1.00 0.00 C ATOM 69 C4' DA A 3 8.615 -0.926 7.156 1.00 0.00 C ATOM 70 O4' DA A 3 7.287 -0.783 6.669 1.00 0.00 O ATOM 71 C3' DA A 3 8.554 -1.069 8.684 1.00 0.00 C ATOM 72 O3' DA A 3 9.047 0.141 9.234 1.00 0.00 O ATOM 73 C2' DA A 3 7.058 -1.276 8.928 1.00 0.00 C ATOM 74 C1' DA A 3 6.433 -0.512 7.762 1.00 0.00 C ATOM 75 N9 DA A 3 5.059 -0.948 7.413 1.00 0.00 N ATOM 76 C8 DA A 3 4.557 -2.223 7.310 1.00 0.00 C ATOM 77 N7 DA A 3 3.320 -2.288 6.898 1.00 0.00 N ATOM 78 C5 DA A 3 2.964 -0.942 6.759 1.00 0.00 C ATOM 79 C6 DA A 3 1.783 -0.264 6.373 1.00 0.00 C ATOM 80 N6 DA A 3 0.673 -0.875 5.997 1.00 0.00 N ATOM 81 N1 DA A 3 1.730 1.073 6.373 1.00 0.00 N ATOM 82 C2 DA A 3 2.828 1.738 6.725 1.00 0.00 C ATOM 83 N3 DA A 3 4.012 1.239 7.072 1.00 0.00 N ATOM 84 C4 DA A 3 4.013 -0.121 7.075 1.00 0.00 C ATOM 0 H5' DA A 3 9.149 -1.999 5.368 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.388 -2.016 6.608 1.00 0.00 H new ATOM 0 H4' DA A 3 9.222 -0.047 6.938 1.00 0.00 H new ATOM 0 H3' DA A 3 9.140 -1.874 9.128 1.00 0.00 H new ATOM 0 H2' DA A 3 6.786 -2.331 8.916 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.743 -0.876 9.892 1.00 0.00 H new ATOM 0 H1' DA A 3 6.340 0.542 8.024 1.00 0.00 H new ATOM 0 H8 DA A 3 5.139 -3.100 7.550 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.145 -0.328 5.730 1.00 0.00 H new ATOM 0 H62 DA A 3 0.635 -1.894 5.973 1.00 0.00 H new ATOM 0 H2 DA A 3 2.748 2.815 6.730 1.00 0.00 H new ATOM 96 P DC A 4 9.183 0.415 10.821 1.00 0.00 P ATOM 97 OP1 DC A 4 10.483 1.074 11.068 1.00 0.00 O ATOM 98 OP2 DC A 4 8.809 -0.810 11.560 1.00 0.00 O ATOM 99 O5' DC A 4 8.015 1.504 11.004 1.00 0.00 O ATOM 100 C5' DC A 4 8.093 2.748 10.325 1.00 0.00 C ATOM 101 C4' DC A 4 6.759 3.499 10.341 1.00 0.00 C ATOM 102 O4' DC A 4 5.745 2.642 9.837 1.00 0.00 O ATOM 103 C3' DC A 4 6.333 3.984 11.733 1.00 0.00 C ATOM 104 O3' DC A 4 5.823 5.304 11.603 1.00 0.00 O ATOM 105 C2' DC A 4 5.238 2.993 12.105 1.00 0.00 C ATOM 106 C1' DC A 4 4.650 2.707 10.723 1.00 0.00 C ATOM 107 N1 DC A 4 3.833 1.466 10.611 1.00 0.00 N ATOM 108 C2 DC A 4 2.598 1.562 9.969 1.00 0.00 C ATOM 109 O2 DC A 4 2.151 2.642 9.592 1.00 0.00 O ATOM 110 N3 DC A 4 1.843 0.456 9.768 1.00 0.00 N ATOM 111 C4 DC A 4 2.247 -0.701 10.249 1.00 0.00 C ATOM 112 N4 DC A 4 1.489 -1.731 9.966 1.00 0.00 N ATOM 113 C5 DC A 4 3.438 -0.840 11.017 1.00 0.00 C ATOM 114 C6 DC A 4 4.237 0.256 11.128 1.00 0.00 C ATOM 0 H5' DC A 4 8.400 2.578 9.293 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.862 3.366 10.789 1.00 0.00 H new ATOM 0 H4' DC A 4 6.896 4.386 9.723 1.00 0.00 H new ATOM 0 H3' DC A 4 7.126 4.022 12.480 1.00 0.00 H new ATOM 0 H2' DC A 4 5.633 2.096 12.582 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.505 3.421 12.788 1.00 0.00 H new ATOM 0 H1' DC A 4 3.944 3.504 10.492 1.00 0.00 H new ATOM 0 H41 DC A 4 1.742 -2.659 10.306 1.00 0.00 H new ATOM 0 H42 DC A 4 0.646 -1.605 9.405 1.00 0.00 H new ATOM 0 H5 DC A 4 3.696 -1.775 11.491 1.00 0.00 H new ATOM 0 H6 DC A 4 5.193 0.176 11.624 1.00 0.00 H new HETATM 126 P NCX A 5 5.748 6.323 12.853 1.00 0.00 P HETATM 127 OP1 NCX A 5 5.633 7.695 12.311 1.00 0.00 O HETATM 128 OP2 NCX A 5 6.853 5.992 13.778 1.00 0.00 O HETATM 129 O5' NCX A 5 4.358 5.947 13.581 1.00 0.00 O HETATM 130 C5' NCX A 5 3.123 6.556 13.221 1.00 0.00 C HETATM 131 C4' NCX A 5 1.985 6.198 14.196 1.00 0.00 C HETATM 132 O4' NCX A 5 1.447 4.934 13.860 1.00 0.00 O HETATM 133 C1' NCX A 5 1.433 4.171 15.042 1.00 0.00 C HETATM 134 N9 NCX A 5 1.419 2.743 14.683 1.00 0.00 N HETATM 135 C8 NCX A 5 2.417 1.796 14.896 1.00 0.00 C HETATM 136 C7 NCX A 5 1.902 0.528 14.655 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.708 -0.708 14.695 1.00 0.00 C HETATM 138 O7 NCX A 5 3.843 -0.807 15.096 1.00 0.00 O HETATM 139 NH7 NCX A 5 2.148 -1.806 14.187 1.00 0.00 N HETATM 140 C5 NCX A 5 0.509 0.728 14.435 1.00 0.00 C HETATM 141 C4 NCX A 5 0.288 2.069 14.382 1.00 0.00 C HETATM 142 C3 NCX A 5 -0.977 2.593 14.124 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.057 1.710 14.121 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.862 0.332 14.325 1.00 0.00 C HETATM 145 N1 NCX A 5 -3.027 -0.588 14.482 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.791 -1.786 14.498 1.00 0.00 O HETATM 147 O12 NCX A 5 -4.141 -0.094 14.537 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.551 -0.169 14.405 1.00 0.00 C HETATM 149 C3' NCX A 5 2.467 6.188 15.661 1.00 0.00 C HETATM 150 C2' NCX A 5 2.634 4.680 15.851 1.00 0.00 C HETATM 151 O3' NCX A 5 1.458 6.428 16.619 1.00 0.00 O HETATM 0 HH72 NCX A 5 2.661 -2.688 14.189 1.00 0.00 H new HETATM 0 HH71 NCX A 5 1.207 -1.764 13.796 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.249 7.638 13.195 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.585 4.385 16.899 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.440 2.014 15.203 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.369 -1.243 14.443 1.00 0.00 H new HETATM 0 H5' NCX A 5 2.847 6.243 12.214 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.215 6.964 14.105 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.279 6.904 15.791 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.118 3.656 13.931 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.584 4.314 15.461 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.065 2.093 13.959 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.549 4.279 15.671 1.00 0.00 H new ATOM 165 P DA A 6 1.705 7.290 17.954 1.00 0.00 P ATOM 166 OP1 DA A 6 2.416 8.534 17.595 1.00 0.00 O ATOM 167 OP2 DA A 6 2.200 6.407 19.030 1.00 0.00 O ATOM 168 O5' DA A 6 0.153 7.630 18.203 1.00 0.00 O ATOM 169 C5' DA A 6 -0.715 8.150 17.210 1.00 0.00 C ATOM 170 C4' DA A 6 -2.138 7.608 17.447 1.00 0.00 C ATOM 171 O4' DA A 6 -2.198 6.239 17.031 1.00 0.00 O ATOM 172 C3' DA A 6 -2.618 7.674 18.898 1.00 0.00 C ATOM 173 O3' DA A 6 -3.998 8.013 18.888 1.00 0.00 O ATOM 174 C2' DA A 6 -2.330 6.258 19.389 1.00 0.00 C ATOM 175 C1' DA A 6 -2.464 5.386 18.137 1.00 0.00 C ATOM 176 N9 DA A 6 -1.536 4.215 18.123 1.00 0.00 N ATOM 177 C8 DA A 6 -0.189 4.182 18.405 1.00 0.00 C ATOM 178 N7 DA A 6 0.356 2.998 18.372 1.00 0.00 N ATOM 179 C5 DA A 6 -0.714 2.174 18.034 1.00 0.00 C ATOM 180 C6 DA A 6 -0.837 0.781 17.844 1.00 0.00 C ATOM 181 N6 DA A 6 0.181 -0.056 17.983 1.00 0.00 N ATOM 182 N1 DA A 6 -2.013 0.245 17.497 1.00 0.00 N ATOM 183 C2 DA A 6 -3.049 1.070 17.346 1.00 0.00 C ATOM 184 N3 DA A 6 -3.079 2.394 17.506 1.00 0.00 N ATOM 185 C4 DA A 6 -1.864 2.898 17.860 1.00 0.00 C ATOM 0 H5' DA A 6 -0.365 7.865 16.218 1.00 0.00 H new ATOM 0 H5'' DA A 6 -0.717 9.239 17.246 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.793 8.256 16.865 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.143 8.416 19.540 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.332 6.182 19.821 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.036 5.954 20.162 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.465 4.955 18.103 1.00 0.00 H new ATOM 0 H8 DA A 6 0.376 5.073 18.637 1.00 0.00 H new ATOM 0 H61 DA A 6 0.043 -1.056 17.835 1.00 0.00 H new ATOM 0 H62 DA A 6 1.102 0.300 18.238 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.982 0.608 17.058 1.00 0.00 H new ATOM 197 P DC A 7 -4.861 8.220 20.238 1.00 0.00 P ATOM 198 OP1 DC A 7 -5.988 9.127 19.937 1.00 0.00 O ATOM 199 OP2 DC A 7 -3.933 8.525 21.349 1.00 0.00 O ATOM 200 O5' DC A 7 -5.448 6.739 20.459 1.00 0.00 O ATOM 201 C5' DC A 7 -6.364 6.178 19.532 1.00 0.00 C ATOM 202 C4' DC A 7 -6.626 4.693 19.810 1.00 0.00 C ATOM 203 O4' DC A 7 -5.428 3.939 19.611 1.00 0.00 O ATOM 204 C3' DC A 7 -7.123 4.403 21.237 1.00 0.00 C ATOM 205 O3' DC A 7 -8.151 3.429 21.153 1.00 0.00 O ATOM 206 C2' DC A 7 -5.845 3.887 21.870 1.00 0.00 C ATOM 207 C1' DC A 7 -5.306 3.053 20.708 1.00 0.00 C ATOM 208 N1 DC A 7 -3.909 2.576 20.900 1.00 0.00 N ATOM 209 C2 DC A 7 -3.608 1.227 20.666 1.00 0.00 C ATOM 210 O2 DC A 7 -4.454 0.434 20.254 1.00 0.00 O ATOM 211 N3 DC A 7 -2.358 0.752 20.907 1.00 0.00 N ATOM 212 C4 DC A 7 -1.441 1.569 21.394 1.00 0.00 C ATOM 213 N4 DC A 7 -0.245 1.070 21.585 1.00 0.00 N ATOM 214 C5 DC A 7 -1.701 2.942 21.672 1.00 0.00 C ATOM 215 C6 DC A 7 -2.941 3.409 21.401 1.00 0.00 C ATOM 0 H5' DC A 7 -5.973 6.294 18.521 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.305 6.726 19.575 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.413 4.403 19.114 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.558 5.230 21.798 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.167 4.690 22.159 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.031 3.290 22.763 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.854 2.119 20.583 1.00 0.00 H new ATOM 0 H41 DC A 7 0.499 1.659 21.959 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.058 0.093 21.360 1.00 0.00 H new ATOM 0 H5 DC A 7 -0.937 3.585 22.083 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.172 4.449 21.581 1.00 0.00 H new ATOM 227 P DG A 8 -9.013 2.940 22.425 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.444 3.181 22.147 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.397 3.444 23.670 1.00 0.00 O ATOM 230 O5' DG A 8 -8.743 1.359 22.347 1.00 0.00 O ATOM 231 C5' DG A 8 -9.177 0.608 21.226 1.00 0.00 C ATOM 232 C4' DG A 8 -9.016 -0.904 21.431 1.00 0.00 C ATOM 233 O4' DG A 8 -7.641 -1.256 21.423 1.00 0.00 O ATOM 234 C3' DG A 8 -9.606 -1.401 22.757 1.00 0.00 C ATOM 235 O3' DG A 8 -10.113 -2.719 22.628 1.00 0.00 O ATOM 236 C2' DG A 8 -8.399 -1.389 23.683 1.00 0.00 C ATOM 237 C1' DG A 8 -7.251 -1.688 22.716 1.00 0.00 C ATOM 238 N9 DG A 8 -5.975 -1.071 23.133 1.00 0.00 N ATOM 239 C8 DG A 8 -5.660 0.247 23.354 1.00 0.00 C ATOM 240 N7 DG A 8 -4.420 0.443 23.721 1.00 0.00 N ATOM 241 C5 DG A 8 -3.876 -0.846 23.764 1.00 0.00 C ATOM 242 C6 DG A 8 -2.561 -1.325 24.100 1.00 0.00 C ATOM 243 O6 DG A 8 -1.543 -0.705 24.404 1.00 0.00 O ATOM 244 N1 DG A 8 -2.466 -2.705 24.076 1.00 0.00 N ATOM 245 C2 DG A 8 -3.489 -3.543 23.750 1.00 0.00 C ATOM 246 N2 DG A 8 -3.244 -4.831 23.755 1.00 0.00 N ATOM 247 N3 DG A 8 -4.713 -3.137 23.425 1.00 0.00 N ATOM 248 C4 DG A 8 -4.840 -1.776 23.441 1.00 0.00 C ATOM 0 H5' DG A 8 -8.610 0.914 20.347 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.224 0.834 21.025 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.559 -1.372 20.610 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.440 -0.794 23.109 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.275 -0.426 24.178 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.479 -2.142 24.467 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.482 -3.013 23.487 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.062 -2.762 22.713 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.372 1.050 23.235 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.568 -3.124 24.319 1.00 0.00 H new ATOM 0 H21 DG A 8 -3.984 -5.492 23.517 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.314 -5.172 23.997 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.494 -8.062 26.229 1.00 0.00 O ATOM 263 C5' DC B 9 3.515 -9.037 26.531 1.00 0.00 C ATOM 264 C4' DC B 9 2.284 -8.856 25.633 1.00 0.00 C ATOM 265 O4' DC B 9 1.865 -7.495 25.676 1.00 0.00 O ATOM 266 C3' DC B 9 2.525 -9.205 24.156 1.00 0.00 C ATOM 267 O3' DC B 9 1.397 -9.951 23.729 1.00 0.00 O ATOM 268 C2' DC B 9 2.606 -7.825 23.510 1.00 0.00 C ATOM 269 C1' DC B 9 1.560 -7.098 24.350 1.00 0.00 C ATOM 270 N1 DC B 9 1.523 -5.608 24.258 1.00 0.00 N ATOM 271 C2 DC B 9 0.276 -4.985 24.404 1.00 0.00 C ATOM 272 O2 DC B 9 -0.761 -5.635 24.529 1.00 0.00 O ATOM 273 N3 DC B 9 0.177 -3.634 24.404 1.00 0.00 N ATOM 274 C4 DC B 9 1.261 -2.905 24.211 1.00 0.00 C ATOM 275 N4 DC B 9 1.090 -1.605 24.216 1.00 0.00 N ATOM 276 C5 DC B 9 2.557 -3.479 24.042 1.00 0.00 C ATOM 277 C6 DC B 9 2.649 -4.834 24.072 1.00 0.00 C ATOM 0 H5' DC B 9 3.224 -8.957 27.578 1.00 0.00 H new ATOM 0 H5'' DC B 9 3.931 -10.035 26.391 1.00 0.00 H new ATOM 0 H4' DC B 9 1.534 -9.544 26.023 1.00 0.00 H new ATOM 0 H3' DC B 9 3.408 -9.800 23.923 1.00 0.00 H new ATOM 0 H2' DC B 9 3.597 -7.379 23.595 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.355 -7.842 22.450 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.054 -7.239 25.929 1.00 0.00 H new ATOM 0 H1' DC B 9 0.570 -7.371 23.984 1.00 0.00 H new ATOM 0 H41 DC B 9 1.887 -0.985 24.073 1.00 0.00 H new ATOM 0 H42 DC B 9 0.160 -1.214 24.363 1.00 0.00 H new ATOM 0 H5 DC B 9 3.430 -2.860 23.896 1.00 0.00 H new ATOM 0 H6 DC B 9 3.611 -5.309 23.949 1.00 0.00 H new ATOM 290 P DG B 10 1.270 -10.586 22.254 1.00 0.00 P ATOM 291 OP1 DG B 10 0.868 -12.001 22.404 1.00 0.00 O ATOM 292 OP2 DG B 10 2.481 -10.235 21.482 1.00 0.00 O ATOM 293 O5' DG B 10 0.021 -9.749 21.668 1.00 0.00 O ATOM 294 C5' DG B 10 -1.295 -9.981 22.151 1.00 0.00 C ATOM 295 C4' DG B 10 -2.381 -9.274 21.324 1.00 0.00 C ATOM 296 O4' DG B 10 -2.376 -7.889 21.640 1.00 0.00 O ATOM 297 C3' DG B 10 -2.210 -9.437 19.809 1.00 0.00 C ATOM 298 O3' DG B 10 -3.477 -9.607 19.188 1.00 0.00 O ATOM 299 C2' DG B 10 -1.571 -8.111 19.438 1.00 0.00 C ATOM 300 C1' DG B 10 -2.211 -7.155 20.443 1.00 0.00 C ATOM 301 N9 DG B 10 -1.357 -5.980 20.706 1.00 0.00 N ATOM 302 C8 DG B 10 -0.022 -5.959 21.011 1.00 0.00 C ATOM 303 N7 DG B 10 0.476 -4.765 21.168 1.00 0.00 N ATOM 304 C5 DG B 10 -0.620 -3.921 20.947 1.00 0.00 C ATOM 305 C6 DG B 10 -0.740 -2.488 20.965 1.00 0.00 C ATOM 306 O6 DG B 10 0.114 -1.630 21.181 1.00 0.00 O ATOM 307 N1 DG B 10 -2.024 -2.046 20.705 1.00 0.00 N ATOM 308 C2 DG B 10 -3.077 -2.864 20.434 1.00 0.00 C ATOM 309 N2 DG B 10 -4.227 -2.291 20.175 1.00 0.00 N ATOM 310 N3 DG B 10 -2.999 -4.194 20.380 1.00 0.00 N ATOM 311 C4 DG B 10 -1.746 -4.663 20.660 1.00 0.00 C ATOM 0 H5' DG B 10 -1.359 -9.644 23.186 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.490 -11.053 22.152 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.328 -9.745 21.586 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.624 -10.303 19.500 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.486 -8.140 19.537 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.790 -7.827 18.409 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.156 -6.781 20.049 1.00 0.00 H new ATOM 0 H8 DG B 10 0.569 -6.857 21.113 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.193 -1.040 20.717 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.046 -2.862 19.966 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.303 -1.274 20.183 1.00 0.00 H new ATOM 323 P DT B 11 -3.624 -9.938 17.609 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.647 -10.996 17.464 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.272 -10.132 17.042 1.00 0.00 O ATOM 326 O5' DT B 11 -4.221 -8.564 17.007 1.00 0.00 O ATOM 327 C5' DT B 11 -5.592 -8.240 17.180 1.00 0.00 C ATOM 328 C4' DT B 11 -5.991 -6.926 16.496 1.00 0.00 C ATOM 329 O4' DT B 11 -5.344 -5.873 17.196 1.00 0.00 O ATOM 330 C3' DT B 11 -5.680 -6.862 15.005 1.00 0.00 C ATOM 331 O3' DT B 11 -6.876 -6.504 14.328 1.00 0.00 O ATOM 332 C2' DT B 11 -4.686 -5.723 14.940 1.00 0.00 C ATOM 333 C1' DT B 11 -4.783 -4.979 16.265 1.00 0.00 C ATOM 334 N1 DT B 11 -3.475 -4.478 16.753 1.00 0.00 N ATOM 335 C2 DT B 11 -3.387 -3.122 17.077 1.00 0.00 C ATOM 336 O2 DT B 11 -4.352 -2.363 17.105 1.00 0.00 O ATOM 337 N3 DT B 11 -2.132 -2.641 17.370 1.00 0.00 N ATOM 338 C4 DT B 11 -0.974 -3.391 17.425 1.00 0.00 C ATOM 339 O4 DT B 11 0.075 -2.814 17.696 1.00 0.00 O ATOM 340 C5 DT B 11 -1.146 -4.820 17.152 1.00 0.00 C ATOM 341 C7 DT B 11 0.041 -5.776 17.232 1.00 0.00 C ATOM 342 C6 DT B 11 -2.373 -5.306 16.825 1.00 0.00 C ATOM 0 H5' DT B 11 -5.811 -8.169 18.245 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.204 -9.050 16.782 1.00 0.00 H new ATOM 0 H4' DT B 11 -7.077 -6.840 16.542 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.306 -7.786 14.565 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.676 -6.100 14.781 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.913 -5.059 14.106 1.00 0.00 H new ATOM 0 H1' DT B 11 -5.401 -4.091 16.129 1.00 0.00 H new ATOM 0 H3 DT B 11 -2.050 -1.643 17.564 1.00 0.00 H new ATOM 0 H71 DT B 11 0.956 -5.242 16.975 1.00 0.00 H new ATOM 0 H72 DT B 11 0.123 -6.170 18.245 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.107 -6.600 16.534 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.488 -6.360 16.618 1.00 0.00 H new ATOM 355 P DT B 12 -7.026 -6.559 12.721 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.413 -6.959 12.403 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.884 -7.316 12.163 1.00 0.00 O ATOM 358 O5' DT B 12 -6.843 -5.015 12.322 1.00 0.00 O ATOM 359 C5' DT B 12 -7.724 -4.021 12.823 1.00 0.00 C ATOM 360 C4' DT B 12 -7.384 -2.634 12.266 1.00 0.00 C ATOM 361 O4' DT B 12 -6.043 -2.312 12.616 1.00 0.00 O ATOM 362 C3' DT B 12 -7.519 -2.557 10.736 1.00 0.00 C ATOM 363 O3' DT B 12 -8.088 -1.305 10.366 1.00 0.00 O ATOM 364 C2' DT B 12 -6.061 -2.658 10.313 1.00 0.00 C ATOM 365 C1' DT B 12 -5.384 -1.879 11.442 1.00 0.00 C ATOM 366 N1 DT B 12 -3.917 -2.105 11.519 1.00 0.00 N ATOM 367 C2 DT B 12 -3.087 -0.978 11.462 1.00 0.00 C ATOM 368 O2 DT B 12 -3.494 0.172 11.342 1.00 0.00 O ATOM 369 N3 DT B 12 -1.736 -1.181 11.627 1.00 0.00 N ATOM 370 C4 DT B 12 -1.147 -2.377 11.962 1.00 0.00 C ATOM 371 O4 DT B 12 0.033 -2.384 12.318 1.00 0.00 O ATOM 372 C5 DT B 12 -2.044 -3.525 11.904 1.00 0.00 C ATOM 373 C7 DT B 12 -1.455 -4.900 12.102 1.00 0.00 C ATOM 374 C6 DT B 12 -3.381 -3.369 11.696 1.00 0.00 C ATOM 0 H5' DT B 12 -7.669 -4.000 13.911 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.750 -4.278 12.561 1.00 0.00 H new ATOM 0 H4' DT B 12 -8.094 -1.929 12.698 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.160 -3.313 10.283 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.717 -3.691 10.258 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.882 -2.210 9.336 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.471 -0.804 11.282 1.00 0.00 H new ATOM 0 H3 DT B 12 -1.122 -0.379 11.490 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.201 -5.554 12.553 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.150 -5.308 11.138 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.587 -4.833 12.758 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.026 -4.235 11.669 1.00 0.00 H new ATOM 387 P DG B 13 -8.750 -1.051 8.909 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.219 -0.991 9.073 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.149 -1.995 7.945 1.00 0.00 O ATOM 390 O5' DG B 13 -8.219 0.420 8.523 1.00 0.00 O ATOM 391 C5' DG B 13 -8.702 1.580 9.183 1.00 0.00 C ATOM 392 C4' DG B 13 -7.764 2.785 9.001 1.00 0.00 C ATOM 393 O4' DG B 13 -6.478 2.413 9.487 1.00 0.00 O ATOM 394 C3' DG B 13 -7.603 3.306 7.563 1.00 0.00 C ATOM 395 O3' DG B 13 -7.445 4.721 7.580 1.00 0.00 O ATOM 396 C2' DG B 13 -6.356 2.579 7.134 1.00 0.00 C ATOM 397 C1' DG B 13 -5.551 2.449 8.417 1.00 0.00 C ATOM 398 N9 DG B 13 -4.702 1.242 8.345 1.00 0.00 N ATOM 399 C8 DG B 13 -5.016 -0.048 7.991 1.00 0.00 C ATOM 400 N7 DG B 13 -3.997 -0.865 7.986 1.00 0.00 N ATOM 401 C5 DG B 13 -2.920 -0.051 8.346 1.00 0.00 C ATOM 402 C6 DG B 13 -1.535 -0.343 8.591 1.00 0.00 C ATOM 403 O6 DG B 13 -0.931 -1.415 8.584 1.00 0.00 O ATOM 404 N1 DG B 13 -0.808 0.772 8.953 1.00 0.00 N ATOM 405 C2 DG B 13 -1.323 2.031 9.052 1.00 0.00 C ATOM 406 N2 DG B 13 -0.518 3.023 9.333 1.00 0.00 N ATOM 407 N3 DG B 13 -2.594 2.339 8.836 1.00 0.00 N ATOM 408 C4 DG B 13 -3.346 1.248 8.516 1.00 0.00 C ATOM 0 H5' DG B 13 -8.818 1.369 10.246 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.691 1.830 8.798 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.225 3.604 9.553 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.446 3.132 6.894 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.589 1.603 6.707 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.809 3.137 6.374 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.874 3.290 8.569 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.019 -0.359 7.739 1.00 0.00 H new ATOM 0 H1 DG B 13 0.183 0.646 9.161 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.885 3.971 9.411 1.00 0.00 H new ATOM 0 H22 DG B 13 0.477 2.848 9.474 1.00 0.00 H new ATOM 420 P DT B 14 -7.229 5.606 6.239 1.00 0.00 P ATOM 421 OP1 DT B 14 -8.030 6.842 6.372 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.408 4.734 5.057 1.00 0.00 O ATOM 423 O5' DT B 14 -5.666 6.008 6.324 1.00 0.00 O ATOM 424 C5' DT B 14 -5.202 6.888 7.337 1.00 0.00 C ATOM 425 C4' DT B 14 -3.706 7.225 7.231 1.00 0.00 C ATOM 426 O4' DT B 14 -2.937 6.038 7.373 1.00 0.00 O ATOM 427 C3' DT B 14 -3.294 7.905 5.917 1.00 0.00 C ATOM 428 O3' DT B 14 -2.327 8.908 6.197 1.00 0.00 O ATOM 429 C2' DT B 14 -2.719 6.744 5.127 1.00 0.00 C ATOM 430 C1' DT B 14 -2.106 5.885 6.234 1.00 0.00 C ATOM 431 N1 DT B 14 -2.006 4.442 5.891 1.00 0.00 N ATOM 432 C2 DT B 14 -0.782 3.799 6.102 1.00 0.00 C ATOM 433 O2 DT B 14 0.228 4.369 6.498 1.00 0.00 O ATOM 434 N3 DT B 14 -0.740 2.449 5.836 1.00 0.00 N ATOM 435 C4 DT B 14 -1.783 1.691 5.347 1.00 0.00 C ATOM 436 O4 DT B 14 -1.593 0.496 5.150 1.00 0.00 O ATOM 437 C5 DT B 14 -3.025 2.426 5.117 1.00 0.00 C ATOM 438 C7 DT B 14 -4.248 1.709 4.564 1.00 0.00 C ATOM 439 C6 DT B 14 -3.097 3.753 5.400 1.00 0.00 C ATOM 0 H5' DT B 14 -5.395 6.439 8.311 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.777 7.813 7.293 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.515 7.939 8.032 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.094 8.413 5.379 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.488 6.207 4.571 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.973 7.072 4.403 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.083 6.220 6.403 1.00 0.00 H new ATOM 0 H3 DT B 14 0.140 1.967 6.017 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.929 0.884 3.927 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.846 1.321 5.389 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.846 2.408 3.980 1.00 0.00 H new ATOM 0 H6 DT B 14 -4.026 4.279 5.238 1.00 0.00 H new ATOM 452 P DA B 15 -1.700 9.854 5.046 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.318 11.142 5.665 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.609 9.835 3.880 1.00 0.00 O ATOM 455 O5' DA B 15 -0.352 9.061 4.648 1.00 0.00 O ATOM 456 C5' DA B 15 0.765 9.039 5.524 1.00 0.00 C ATOM 457 C4' DA B 15 1.966 8.289 4.933 1.00 0.00 C ATOM 458 O4' DA B 15 1.701 6.890 4.898 1.00 0.00 O ATOM 459 C3' DA B 15 2.327 8.741 3.512 1.00 0.00 C ATOM 460 O3' DA B 15 3.714 9.042 3.453 1.00 0.00 O ATOM 461 C2' DA B 15 1.967 7.512 2.692 1.00 0.00 C ATOM 462 C1' DA B 15 2.195 6.370 3.681 1.00 0.00 C ATOM 463 N9 DA B 15 1.464 5.127 3.333 1.00 0.00 N ATOM 464 C8 DA B 15 0.142 4.988 2.980 1.00 0.00 C ATOM 465 N7 DA B 15 -0.239 3.757 2.772 1.00 0.00 N ATOM 466 C5 DA B 15 0.930 3.021 3.003 1.00 0.00 C ATOM 467 C6 DA B 15 1.251 1.644 2.972 1.00 0.00 C ATOM 468 N6 DA B 15 0.369 0.687 2.742 1.00 0.00 N ATOM 469 N1 DA B 15 2.504 1.228 3.198 1.00 0.00 N ATOM 470 C2 DA B 15 3.422 2.146 3.481 1.00 0.00 C ATOM 471 N3 DA B 15 3.264 3.466 3.563 1.00 0.00 N ATOM 472 C4 DA B 15 1.977 3.847 3.320 1.00 0.00 C ATOM 0 H5' DA B 15 0.475 8.569 6.464 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.059 10.062 5.757 1.00 0.00 H new ATOM 0 H4' DA B 15 2.810 8.518 5.584 1.00 0.00 H new ATOM 0 H3' DA B 15 1.818 9.640 3.164 1.00 0.00 H new ATOM 0 H2' DA B 15 0.935 7.546 2.343 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.599 7.415 1.809 1.00 0.00 H new ATOM 0 H1' DA B 15 3.244 6.076 3.703 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.527 5.830 2.883 1.00 0.00 H new ATOM 0 H61 DA B 15 0.666 -0.289 2.733 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.609 0.924 2.573 1.00 0.00 H new ATOM 0 H2 DA B 15 4.419 1.776 3.668 1.00 0.00 H new ATOM 484 P DC B 16 4.399 9.691 2.141 1.00 0.00 P ATOM 485 OP1 DC B 16 5.519 10.560 2.563 1.00 0.00 O ATOM 486 OP2 DC B 16 3.343 10.217 1.250 1.00 0.00 O ATOM 487 O5' DC B 16 5.020 8.385 1.445 1.00 0.00 O ATOM 488 C5' DC B 16 6.184 7.773 1.968 1.00 0.00 C ATOM 489 C4' DC B 16 6.544 6.512 1.180 1.00 0.00 C ATOM 490 O4' DC B 16 5.692 5.440 1.528 1.00 0.00 O ATOM 491 C3' DC B 16 6.416 6.663 -0.338 1.00 0.00 C ATOM 492 O3' DC B 16 7.568 7.249 -0.918 1.00 0.00 O ATOM 493 C2' DC B 16 6.257 5.212 -0.772 1.00 0.00 C ATOM 494 C1' DC B 16 5.699 4.501 0.470 1.00 0.00 C ATOM 495 N1 DC B 16 4.315 4.010 0.253 1.00 0.00 N ATOM 496 C2 DC B 16 4.092 2.632 0.180 1.00 0.00 C ATOM 497 O2 DC B 16 5.008 1.822 0.318 1.00 0.00 O ATOM 498 N3 DC B 16 2.848 2.159 -0.066 1.00 0.00 N ATOM 499 C4 DC B 16 1.850 3.009 -0.221 1.00 0.00 C ATOM 500 N4 DC B 16 0.667 2.474 -0.388 1.00 0.00 N ATOM 501 C5 DC B 16 2.022 4.426 -0.177 1.00 0.00 C ATOM 502 C6 DC B 16 3.278 4.889 0.066 1.00 0.00 C ATOM 0 H5' DC B 16 6.025 7.518 3.016 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.016 8.477 1.934 1.00 0.00 H new ATOM 0 H4' DC B 16 7.586 6.326 1.440 1.00 0.00 H new ATOM 0 H3' DC B 16 5.601 7.319 -0.644 1.00 0.00 H new ATOM 0 H2' DC B 16 5.578 5.123 -1.620 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.210 4.783 -1.081 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.444 7.325 -1.887 1.00 0.00 H new ATOM 0 H1' DC B 16 6.323 3.636 0.695 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.150 3.072 -0.514 1.00 0.00 H new ATOM 0 H42 DC B 16 0.562 1.459 -0.392 1.00 0.00 H new ATOM 0 H5 DC B 16 1.192 5.100 -0.330 1.00 0.00 H new ATOM 0 H6 DC B 16 3.460 5.953 0.112 1.00 0.00 H new TER 515 DC B 16