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 34:sc= 0.0741 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.793 (180deg=-2.19!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 29:sc= 0.0727 USER MOD Single : B 11 DT C7 :methyl -30:sc= 0 (180deg=-0.555) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.994 (180deg=-2.45!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.102 -8.507 -1.397 1.00 0.00 O ATOM 2 C5' DG A 1 2.435 -8.914 -1.639 1.00 0.00 C ATOM 3 C4' DG A 1 3.421 -7.947 -0.972 1.00 0.00 C ATOM 4 O4' DG A 1 3.080 -6.603 -1.318 1.00 0.00 O ATOM 5 C3' DG A 1 3.441 -8.054 0.560 1.00 0.00 C ATOM 6 O3' DG A 1 4.789 -8.170 0.982 1.00 0.00 O ATOM 7 C2' DG A 1 2.797 -6.752 0.974 1.00 0.00 C ATOM 8 C1' DG A 1 3.181 -5.806 -0.149 1.00 0.00 C ATOM 9 N9 DG A 1 2.264 -4.647 -0.194 1.00 0.00 N ATOM 10 C8 DG A 1 0.896 -4.648 -0.275 1.00 0.00 C ATOM 11 N7 DG A 1 0.357 -3.465 -0.339 1.00 0.00 N ATOM 12 C5 DG A 1 1.450 -2.600 -0.226 1.00 0.00 C ATOM 13 C6 DG A 1 1.530 -1.165 -0.207 1.00 0.00 C ATOM 14 O6 DG A 1 0.642 -0.326 -0.351 1.00 0.00 O ATOM 15 N1 DG A 1 2.817 -0.698 -0.011 1.00 0.00 N ATOM 16 C2 DG A 1 3.909 -1.500 0.132 1.00 0.00 C ATOM 17 N2 DG A 1 5.060 -0.913 0.351 1.00 0.00 N ATOM 18 N3 DG A 1 3.879 -2.831 0.086 1.00 0.00 N ATOM 19 C4 DG A 1 2.618 -3.323 -0.096 1.00 0.00 C ATOM 0 H5' DG A 1 2.621 -8.950 -2.712 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.589 -9.922 -1.255 1.00 0.00 H new ATOM 0 H4' DG A 1 4.411 -8.221 -1.337 1.00 0.00 H new ATOM 0 H3' DG A 1 2.924 -8.912 0.990 1.00 0.00 H new ATOM 0 H2' DG A 1 1.715 -6.849 1.067 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.170 -6.406 1.938 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.059 -7.528 -1.367 1.00 0.00 H new ATOM 0 H1' DG A 1 4.178 -5.382 -0.028 1.00 0.00 H new ATOM 0 H8 DG A 1 0.312 -5.557 -0.285 1.00 0.00 H new ATOM 0 H1 DG A 1 2.958 0.311 0.029 1.00 0.00 H new ATOM 0 H21 DG A 1 5.905 -1.473 0.465 1.00 0.00 H new ATOM 0 H22 DG A 1 5.111 0.104 0.408 1.00 0.00 H new ATOM 32 P DT A 2 5.206 -8.365 2.530 1.00 0.00 P ATOM 33 OP1 DT A 2 6.272 -9.386 2.587 1.00 0.00 O ATOM 34 OP2 DT A 2 3.975 -8.520 3.333 1.00 0.00 O ATOM 35 O5' DT A 2 5.850 -6.928 2.867 1.00 0.00 O ATOM 36 C5' DT A 2 7.043 -6.505 2.226 1.00 0.00 C ATOM 37 C4' DT A 2 7.575 -5.171 2.767 1.00 0.00 C ATOM 38 O4' DT A 2 6.638 -4.133 2.510 1.00 0.00 O ATOM 39 C3' DT A 2 7.867 -5.192 4.271 1.00 0.00 C ATOM 40 O3' DT A 2 9.054 -4.451 4.506 1.00 0.00 O ATOM 41 C2' DT A 2 6.628 -4.527 4.847 1.00 0.00 C ATOM 42 C1' DT A 2 6.272 -3.530 3.741 1.00 0.00 C ATOM 43 N1 DT A 2 4.833 -3.155 3.689 1.00 0.00 N ATOM 44 C2 DT A 2 4.517 -1.795 3.586 1.00 0.00 C ATOM 45 O2 DT A 2 5.351 -0.895 3.621 1.00 0.00 O ATOM 46 N3 DT A 2 3.187 -1.480 3.419 1.00 0.00 N ATOM 47 C4 DT A 2 2.148 -2.382 3.345 1.00 0.00 C ATOM 48 O4 DT A 2 1.019 -1.957 3.120 1.00 0.00 O ATOM 49 C5 DT A 2 2.531 -3.779 3.527 1.00 0.00 C ATOM 50 C7 DT A 2 1.471 -4.871 3.534 1.00 0.00 C ATOM 51 C6 DT A 2 3.839 -4.115 3.679 1.00 0.00 C ATOM 0 H5' DT A 2 6.859 -6.409 1.156 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.807 -7.272 2.351 1.00 0.00 H new ATOM 0 H4' DT A 2 8.517 -4.994 2.249 1.00 0.00 H new ATOM 0 H3' DT A 2 8.038 -6.174 4.712 1.00 0.00 H new ATOM 0 H2' DT A 2 5.826 -5.242 5.028 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.833 -4.031 5.796 1.00 0.00 H new ATOM 0 H1' DT A 2 6.808 -2.603 3.944 1.00 0.00 H new ATOM 0 H3 DT A 2 2.950 -0.491 3.343 1.00 0.00 H new ATOM 0 H71 DT A 2 0.535 -4.467 3.918 1.00 0.00 H new ATOM 0 H72 DT A 2 1.319 -5.237 2.519 1.00 0.00 H new ATOM 0 H73 DT A 2 1.799 -5.693 4.170 1.00 0.00 H new ATOM 0 H6 DT A 2 4.107 -5.155 3.794 1.00 0.00 H new ATOM 64 P DA A 3 9.756 -4.392 5.958 1.00 0.00 P ATOM 65 OP1 DA A 3 11.200 -4.142 5.756 1.00 0.00 O ATOM 66 OP2 DA A 3 9.309 -5.565 6.740 1.00 0.00 O ATOM 67 O5' DA A 3 9.094 -3.069 6.598 1.00 0.00 O ATOM 68 C5' DA A 3 9.475 -1.780 6.145 1.00 0.00 C ATOM 69 C4' DA A 3 8.801 -0.648 6.928 1.00 0.00 C ATOM 70 O4' DA A 3 7.446 -0.510 6.521 1.00 0.00 O ATOM 71 C3' DA A 3 8.829 -0.840 8.452 1.00 0.00 C ATOM 72 O3' DA A 3 9.333 0.357 9.024 1.00 0.00 O ATOM 73 C2' DA A 3 7.355 -1.093 8.765 1.00 0.00 C ATOM 74 C1' DA A 3 6.646 -0.299 7.669 1.00 0.00 C ATOM 75 N9 DA A 3 5.265 -0.760 7.384 1.00 0.00 N ATOM 76 C8 DA A 3 4.794 -2.049 7.290 1.00 0.00 C ATOM 77 N7 DA A 3 3.542 -2.146 6.937 1.00 0.00 N ATOM 78 C5 DA A 3 3.146 -0.809 6.813 1.00 0.00 C ATOM 79 C6 DA A 3 1.939 -0.167 6.453 1.00 0.00 C ATOM 80 N6 DA A 3 0.847 -0.818 6.091 1.00 0.00 N ATOM 81 N1 DA A 3 1.848 1.168 6.443 1.00 0.00 N ATOM 82 C2 DA A 3 2.935 1.866 6.762 1.00 0.00 C ATOM 83 N3 DA A 3 4.139 1.403 7.087 1.00 0.00 N ATOM 84 C4 DA A 3 4.182 0.041 7.097 1.00 0.00 C ATOM 0 H5' DA A 3 9.224 -1.683 5.089 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.557 -1.677 6.227 1.00 0.00 H new ATOM 0 H4' DA A 3 9.379 0.247 6.700 1.00 0.00 H new ATOM 0 H3' DA A 3 9.457 -1.643 8.836 1.00 0.00 H new ATOM 0 H2' DA A 3 7.107 -2.154 8.723 1.00 0.00 H new ATOM 0 H2'' DA A 3 7.085 -0.741 9.761 1.00 0.00 H new ATOM 0 H1' DA A 3 6.541 0.742 7.973 1.00 0.00 H new ATOM 0 H8 DA A 3 5.411 -2.912 7.492 1.00 0.00 H new ATOM 0 H61 DA A 3 0.004 -0.301 5.842 1.00 0.00 H new ATOM 0 H62 DA A 3 0.847 -1.838 6.061 1.00 0.00 H new ATOM 0 H2 DA A 3 2.826 2.941 6.756 1.00 0.00 H new ATOM 96 P DC A 4 9.496 0.583 10.616 1.00 0.00 P ATOM 97 OP1 DC A 4 10.740 1.347 10.849 1.00 0.00 O ATOM 98 OP2 DC A 4 9.260 -0.698 11.316 1.00 0.00 O ATOM 99 O5' DC A 4 8.241 1.554 10.877 1.00 0.00 O ATOM 100 C5' DC A 4 8.195 2.827 10.251 1.00 0.00 C ATOM 101 C4' DC A 4 6.829 3.496 10.387 1.00 0.00 C ATOM 102 O4' DC A 4 5.822 2.634 9.880 1.00 0.00 O ATOM 103 C3' DC A 4 6.457 3.880 11.825 1.00 0.00 C ATOM 104 O3' DC A 4 6.044 5.238 11.805 1.00 0.00 O ATOM 105 C2' DC A 4 5.314 2.929 12.144 1.00 0.00 C ATOM 106 C1' DC A 4 4.718 2.698 10.757 1.00 0.00 C ATOM 107 N1 DC A 4 3.916 1.451 10.639 1.00 0.00 N ATOM 108 C2 DC A 4 2.623 1.540 10.118 1.00 0.00 C ATOM 109 O2 DC A 4 2.125 2.617 9.797 1.00 0.00 O ATOM 110 N3 DC A 4 1.877 0.420 9.956 1.00 0.00 N ATOM 111 C4 DC A 4 2.369 -0.748 10.321 1.00 0.00 C ATOM 112 N4 DC A 4 1.596 -1.783 10.108 1.00 0.00 N ATOM 113 C5 DC A 4 3.675 -0.898 10.872 1.00 0.00 C ATOM 114 C6 DC A 4 4.426 0.225 11.004 1.00 0.00 C ATOM 0 H5' DC A 4 8.439 2.718 9.194 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.957 3.472 10.689 1.00 0.00 H new ATOM 0 H4' DC A 4 6.896 4.422 9.815 1.00 0.00 H new ATOM 0 H3' DC A 4 7.254 3.799 12.564 1.00 0.00 H new ATOM 0 H2' DC A 4 5.665 2.003 12.600 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.593 3.370 12.833 1.00 0.00 H new ATOM 0 H1' DC A 4 4.021 3.504 10.529 1.00 0.00 H new ATOM 0 H41 DC A 4 1.913 -2.718 10.366 1.00 0.00 H new ATOM 0 H42 DC A 4 0.677 -1.655 9.684 1.00 0.00 H new ATOM 0 H5 DC A 4 4.051 -1.865 11.172 1.00 0.00 H new ATOM 0 H6 DC A 4 5.429 0.157 11.398 1.00 0.00 H new HETATM 126 P NCX A 5 6.100 6.168 13.118 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.078 7.581 12.681 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.192 5.684 13.989 1.00 0.00 O HETATM 129 O5' NCX A 5 4.699 5.833 13.831 1.00 0.00 O HETATM 130 C5' NCX A 5 3.506 6.523 13.487 1.00 0.00 C HETATM 131 C4' NCX A 5 2.315 6.065 14.339 1.00 0.00 C HETATM 132 O4' NCX A 5 1.795 4.866 13.803 1.00 0.00 O HETATM 133 C1' NCX A 5 1.590 3.997 14.890 1.00 0.00 C HETATM 134 N9 NCX A 5 1.500 2.617 14.386 1.00 0.00 N HETATM 135 C8 NCX A 5 2.363 1.548 14.601 1.00 0.00 C HETATM 136 C7 NCX A 5 1.714 0.366 14.253 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.304 -0.969 14.459 1.00 0.00 C HETATM 138 O7 NCX A 5 3.455 -1.204 14.741 1.00 0.00 O HETATM 139 NH7 NCX A 5 1.476 -2.011 14.395 1.00 0.00 N HETATM 140 C5 NCX A 5 0.449 0.765 13.714 1.00 0.00 C HETATM 141 C4 NCX A 5 0.381 2.121 13.828 1.00 0.00 C HETATM 142 C3 NCX A 5 -0.718 2.850 13.390 1.00 0.00 C HETATM 143 C2 NCX A 5 -1.762 2.157 12.791 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.689 0.767 12.606 1.00 0.00 C HETATM 145 N1 NCX A 5 -2.757 0.067 11.847 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.478 -1.028 11.392 1.00 0.00 O HETATM 147 O12 NCX A 5 -3.834 0.624 11.714 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.582 0.052 13.101 1.00 0.00 C HETATM 149 C3' NCX A 5 2.721 5.844 15.810 1.00 0.00 C HETATM 150 C2' NCX A 5 2.750 4.316 15.840 1.00 0.00 C HETATM 151 O3' NCX A 5 1.700 6.105 16.746 1.00 0.00 O HETATM 0 HH72 NCX A 5 1.834 -2.956 14.530 1.00 0.00 H new HETATM 0 HH71 NCX A 5 0.484 -1.863 14.210 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.656 7.595 13.618 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.587 3.918 16.842 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.382 1.623 14.980 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.531 -1.033 13.008 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.283 6.359 12.433 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.557 6.848 14.317 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.594 6.449 16.054 1.00 0.00 H new HETATM 0 H3 NCX A 5 -0.759 3.932 13.513 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.699 3.912 15.486 1.00 0.00 H new HETATM 0 H2 NCX A 5 -2.648 2.699 12.461 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.657 4.121 15.440 1.00 0.00 H new ATOM 165 P DA A 6 1.999 6.781 18.175 1.00 0.00 P ATOM 166 OP1 DA A 6 2.894 7.940 17.977 1.00 0.00 O ATOM 167 OP2 DA A 6 2.320 5.729 19.161 1.00 0.00 O ATOM 168 O5' DA A 6 0.510 7.320 18.431 1.00 0.00 O ATOM 169 C5' DA A 6 -0.242 8.073 17.497 1.00 0.00 C ATOM 170 C4' DA A 6 -1.733 7.708 17.650 1.00 0.00 C ATOM 171 O4' DA A 6 -1.934 6.424 17.052 1.00 0.00 O ATOM 172 C3' DA A 6 -2.249 7.621 19.092 1.00 0.00 C ATOM 173 O3' DA A 6 -3.620 8.007 19.129 1.00 0.00 O ATOM 174 C2' DA A 6 -2.050 6.141 19.395 1.00 0.00 C ATOM 175 C1' DA A 6 -2.283 5.468 18.045 1.00 0.00 C ATOM 176 N9 DA A 6 -1.549 4.186 17.855 1.00 0.00 N ATOM 177 C8 DA A 6 -0.243 3.851 18.137 1.00 0.00 C ATOM 178 N7 DA A 6 0.094 2.631 17.807 1.00 0.00 N ATOM 179 C5 DA A 6 -1.094 2.101 17.300 1.00 0.00 C ATOM 180 C6 DA A 6 -1.471 0.847 16.766 1.00 0.00 C ATOM 181 N6 DA A 6 -0.661 -0.190 16.604 1.00 0.00 N ATOM 182 N1 DA A 6 -2.725 0.635 16.363 1.00 0.00 N ATOM 183 C2 DA A 6 -3.601 1.627 16.494 1.00 0.00 C ATOM 184 N3 DA A 6 -3.388 2.852 16.956 1.00 0.00 N ATOM 185 C4 DA A 6 -2.098 3.032 17.343 1.00 0.00 C ATOM 0 H5' DA A 6 0.096 7.862 16.482 1.00 0.00 H new ATOM 0 H5'' DA A 6 -0.095 9.140 17.667 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.285 8.518 17.173 1.00 0.00 H new ATOM 0 H3' DA A 6 -1.750 8.269 19.812 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.049 5.940 19.776 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.755 5.787 20.147 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.330 5.171 17.976 1.00 0.00 H new ATOM 0 H8 DA A 6 0.449 4.542 18.595 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.019 -1.060 16.210 1.00 0.00 H new ATOM 0 H62 DA A 6 0.320 -0.118 16.874 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.613 1.408 16.186 1.00 0.00 H new ATOM 197 P DC A 7 -4.489 8.029 20.497 1.00 0.00 P ATOM 198 OP1 DC A 7 -5.576 9.019 20.335 1.00 0.00 O ATOM 199 OP2 DC A 7 -3.557 8.131 21.639 1.00 0.00 O ATOM 200 O5' DC A 7 -5.150 6.554 20.515 1.00 0.00 O ATOM 201 C5' DC A 7 -6.141 6.195 19.565 1.00 0.00 C ATOM 202 C4' DC A 7 -6.509 4.706 19.617 1.00 0.00 C ATOM 203 O4' DC A 7 -5.349 3.890 19.451 1.00 0.00 O ATOM 204 C3' DC A 7 -7.210 4.282 20.916 1.00 0.00 C ATOM 205 O3' DC A 7 -8.394 3.565 20.589 1.00 0.00 O ATOM 206 C2' DC A 7 -6.157 3.418 21.566 1.00 0.00 C ATOM 207 C1' DC A 7 -5.406 2.825 20.384 1.00 0.00 C ATOM 208 N1 DC A 7 -4.046 2.357 20.771 1.00 0.00 N ATOM 209 C2 DC A 7 -3.743 0.991 20.715 1.00 0.00 C ATOM 210 O2 DC A 7 -4.567 0.156 20.350 1.00 0.00 O ATOM 211 N3 DC A 7 -2.516 0.549 21.092 1.00 0.00 N ATOM 212 C4 DC A 7 -1.632 1.413 21.560 1.00 0.00 C ATOM 213 N4 DC A 7 -0.458 0.939 21.891 1.00 0.00 N ATOM 214 C5 DC A 7 -1.909 2.801 21.704 1.00 0.00 C ATOM 215 C6 DC A 7 -3.125 3.238 21.286 1.00 0.00 C ATOM 0 H5' DC A 7 -5.784 6.441 18.565 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.037 6.791 19.739 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.212 4.561 18.796 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.536 5.092 21.569 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.498 4.003 22.208 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.602 2.642 22.189 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.897 1.940 19.979 1.00 0.00 H new ATOM 0 H41 DC A 7 0.260 1.564 22.257 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.261 -0.056 21.783 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.183 3.479 22.128 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.371 4.287 21.359 1.00 0.00 H new ATOM 227 P DG A 8 -9.463 3.096 21.708 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.810 3.095 21.100 1.00 0.00 O ATOM 229 OP2 DG A 8 -9.212 3.850 22.955 1.00 0.00 O ATOM 230 O5' DG A 8 -9.034 1.568 21.963 1.00 0.00 O ATOM 231 C5' DG A 8 -9.188 0.588 20.949 1.00 0.00 C ATOM 232 C4' DG A 8 -8.845 -0.811 21.471 1.00 0.00 C ATOM 233 O4' DG A 8 -7.449 -0.888 21.718 1.00 0.00 O ATOM 234 C3' DG A 8 -9.577 -1.146 22.781 1.00 0.00 C ATOM 235 O3' DG A 8 -10.031 -2.491 22.779 1.00 0.00 O ATOM 236 C2' DG A 8 -8.482 -0.969 23.825 1.00 0.00 C ATOM 237 C1' DG A 8 -7.254 -1.392 23.023 1.00 0.00 C ATOM 238 N9 DG A 8 -5.980 -0.888 23.579 1.00 0.00 N ATOM 239 C8 DG A 8 -5.637 0.387 23.955 1.00 0.00 C ATOM 240 N7 DG A 8 -4.392 0.516 24.326 1.00 0.00 N ATOM 241 C5 DG A 8 -3.879 -0.784 24.232 1.00 0.00 C ATOM 242 C6 DG A 8 -2.576 -1.325 24.515 1.00 0.00 C ATOM 243 O6 DG A 8 -1.543 -0.760 24.869 1.00 0.00 O ATOM 244 N1 DG A 8 -2.515 -2.699 24.368 1.00 0.00 N ATOM 245 C2 DG A 8 -3.560 -3.477 23.975 1.00 0.00 C ATOM 246 N2 DG A 8 -3.338 -4.765 23.852 1.00 0.00 N ATOM 247 N3 DG A 8 -4.773 -3.012 23.686 1.00 0.00 N ATOM 248 C4 DG A 8 -4.868 -1.655 23.826 1.00 0.00 C ATOM 0 H5' DG A 8 -8.544 0.831 20.104 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.214 0.600 20.581 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.160 -1.524 20.709 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.459 -0.528 22.950 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.411 0.059 24.179 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.640 -1.598 24.701 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.492 -2.682 23.623 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.164 -2.478 23.048 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.335 1.211 23.945 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.627 -3.160 24.568 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.092 -5.387 23.560 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.412 -5.144 24.049 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.403 -8.163 26.271 1.00 0.00 O ATOM 263 C5' DC B 9 3.439 -9.162 26.543 1.00 0.00 C ATOM 264 C4' DC B 9 2.220 -8.990 25.628 1.00 0.00 C ATOM 265 O4' DC B 9 1.774 -7.637 25.688 1.00 0.00 O ATOM 266 C3' DC B 9 2.493 -9.310 24.151 1.00 0.00 C ATOM 267 O3' DC B 9 1.408 -10.097 23.691 1.00 0.00 O ATOM 268 C2' DC B 9 2.532 -7.923 23.520 1.00 0.00 C ATOM 269 C1' DC B 9 1.471 -7.222 24.367 1.00 0.00 C ATOM 270 N1 DC B 9 1.431 -5.729 24.303 1.00 0.00 N ATOM 271 C2 DC B 9 0.184 -5.105 24.440 1.00 0.00 C ATOM 272 O2 DC B 9 -0.864 -5.748 24.491 1.00 0.00 O ATOM 273 N3 DC B 9 0.096 -3.754 24.525 1.00 0.00 N ATOM 274 C4 DC B 9 1.192 -3.025 24.410 1.00 0.00 C ATOM 275 N4 DC B 9 1.043 -1.726 24.519 1.00 0.00 N ATOM 276 C5 DC B 9 2.485 -3.600 24.234 1.00 0.00 C ATOM 277 C6 DC B 9 2.565 -4.954 24.185 1.00 0.00 C ATOM 0 H5' DC B 9 3.130 -9.104 27.587 1.00 0.00 H new ATOM 0 H5'' DC B 9 3.877 -10.149 26.395 1.00 0.00 H new ATOM 0 H4' DC B 9 1.476 -9.699 25.992 1.00 0.00 H new ATOM 0 H3' DC B 9 3.403 -9.868 23.930 1.00 0.00 H new ATOM 0 H2' DC B 9 3.512 -7.453 23.605 1.00 0.00 H new ATOM 0 H2'' DC B 9 2.277 -7.939 22.460 1.00 0.00 H new ATOM 0 HO5' DC B 9 3.954 -7.355 25.947 1.00 0.00 H new ATOM 0 H1' DC B 9 0.485 -7.498 23.993 1.00 0.00 H new ATOM 0 H41 DC B 9 1.853 -1.111 24.439 1.00 0.00 H new ATOM 0 H42 DC B 9 0.117 -1.331 24.684 1.00 0.00 H new ATOM 0 H5 DC B 9 3.366 -2.982 24.143 1.00 0.00 H new ATOM 0 H6 DC B 9 3.526 -5.429 24.052 1.00 0.00 H new ATOM 290 P DG B 10 1.355 -10.730 22.210 1.00 0.00 P ATOM 291 OP1 DG B 10 0.965 -12.150 22.337 1.00 0.00 O ATOM 292 OP2 DG B 10 2.593 -10.359 21.492 1.00 0.00 O ATOM 293 O5' DG B 10 0.124 -9.908 21.574 1.00 0.00 O ATOM 294 C5' DG B 10 -1.204 -10.139 22.024 1.00 0.00 C ATOM 295 C4' DG B 10 -2.274 -9.430 21.178 1.00 0.00 C ATOM 296 O4' DG B 10 -2.295 -8.050 21.513 1.00 0.00 O ATOM 297 C3' DG B 10 -2.080 -9.550 19.662 1.00 0.00 C ATOM 298 O3' DG B 10 -3.367 -9.657 19.070 1.00 0.00 O ATOM 299 C2' DG B 10 -1.386 -8.234 19.349 1.00 0.00 C ATOM 300 C1' DG B 10 -2.082 -7.300 20.334 1.00 0.00 C ATOM 301 N9 DG B 10 -1.277 -6.113 20.664 1.00 0.00 N ATOM 302 C8 DG B 10 0.064 -6.034 20.933 1.00 0.00 C ATOM 303 N7 DG B 10 0.484 -4.829 21.202 1.00 0.00 N ATOM 304 C5 DG B 10 -0.668 -4.045 21.084 1.00 0.00 C ATOM 305 C6 DG B 10 -0.878 -2.631 21.223 1.00 0.00 C ATOM 306 O6 DG B 10 -0.072 -1.747 21.498 1.00 0.00 O ATOM 307 N1 DG B 10 -2.187 -2.248 20.996 1.00 0.00 N ATOM 308 C2 DG B 10 -3.197 -3.106 20.682 1.00 0.00 C ATOM 309 N2 DG B 10 -4.378 -2.588 20.447 1.00 0.00 N ATOM 310 N3 DG B 10 -3.039 -4.423 20.542 1.00 0.00 N ATOM 311 C4 DG B 10 -1.752 -4.830 20.756 1.00 0.00 C ATOM 0 H5' DG B 10 -1.291 -9.806 23.058 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.399 -11.211 22.017 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.212 -9.932 21.413 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.512 -10.407 19.301 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.310 -8.284 19.517 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.533 -7.926 18.314 1.00 0.00 H new ATOM 0 H1' DG B 10 -3.007 -6.935 19.887 1.00 0.00 H new ATOM 0 H8 DG B 10 0.716 -6.895 20.923 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.411 -1.256 21.069 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.163 -3.195 20.208 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.512 -1.578 20.503 1.00 0.00 H new ATOM 323 P DT B 11 -3.601 -9.707 17.474 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.702 -10.654 17.204 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.293 -9.874 16.804 1.00 0.00 O ATOM 326 O5' DT B 11 -4.125 -8.207 17.183 1.00 0.00 O ATOM 327 C5' DT B 11 -5.425 -7.800 17.592 1.00 0.00 C ATOM 328 C4' DT B 11 -5.874 -6.484 16.942 1.00 0.00 C ATOM 329 O4' DT B 11 -5.188 -5.401 17.573 1.00 0.00 O ATOM 330 C3' DT B 11 -5.647 -6.484 15.433 1.00 0.00 C ATOM 331 O3' DT B 11 -6.828 -6.136 14.724 1.00 0.00 O ATOM 332 C2' DT B 11 -4.624 -5.384 15.289 1.00 0.00 C ATOM 333 C1' DT B 11 -4.438 -4.673 16.622 1.00 0.00 C ATOM 334 N1 DT B 11 -3.023 -4.459 17.052 1.00 0.00 N ATOM 335 C2 DT B 11 -2.684 -3.173 17.492 1.00 0.00 C ATOM 336 O2 DT B 11 -3.481 -2.246 17.573 1.00 0.00 O ATOM 337 N3 DT B 11 -1.361 -2.933 17.789 1.00 0.00 N ATOM 338 C4 DT B 11 -0.324 -3.808 17.570 1.00 0.00 C ATOM 339 O4 DT B 11 0.823 -3.417 17.763 1.00 0.00 O ATOM 340 C5 DT B 11 -0.731 -5.131 17.104 1.00 0.00 C ATOM 341 C7 DT B 11 0.323 -6.187 16.829 1.00 0.00 C ATOM 342 C6 DT B 11 -2.044 -5.417 16.879 1.00 0.00 C ATOM 0 H5' DT B 11 -5.440 -7.687 18.676 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.140 -8.584 17.343 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.948 -6.368 17.086 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.346 -7.455 15.040 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.674 -5.800 14.953 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.947 -4.672 14.529 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.797 -3.649 16.518 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.132 -2.031 18.206 1.00 0.00 H new ATOM 0 H71 DT B 11 1.247 -5.704 16.511 1.00 0.00 H new ATOM 0 H72 DT B 11 0.507 -6.762 17.736 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.027 -6.854 16.041 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.324 -6.410 16.560 1.00 0.00 H new ATOM 355 P DT B 12 -6.969 -6.437 13.136 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.200 -7.228 12.922 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.670 -6.927 12.628 1.00 0.00 O ATOM 358 O5' DT B 12 -7.193 -4.975 12.514 1.00 0.00 O ATOM 359 C5' DT B 12 -8.433 -4.302 12.642 1.00 0.00 C ATOM 360 C4' DT B 12 -8.345 -2.840 12.182 1.00 0.00 C ATOM 361 O4' DT B 12 -7.383 -2.181 12.983 1.00 0.00 O ATOM 362 C3' DT B 12 -7.934 -2.638 10.721 1.00 0.00 C ATOM 363 O3' DT B 12 -8.536 -1.444 10.238 1.00 0.00 O ATOM 364 C2' DT B 12 -6.418 -2.524 10.836 1.00 0.00 C ATOM 365 C1' DT B 12 -6.224 -1.876 12.218 1.00 0.00 C ATOM 366 N1 DT B 12 -5.014 -2.259 13.022 1.00 0.00 N ATOM 367 C2 DT B 12 -4.664 -1.352 14.033 1.00 0.00 C ATOM 368 O2 DT B 12 -5.367 -0.414 14.397 1.00 0.00 O ATOM 369 N3 DT B 12 -3.438 -1.520 14.632 1.00 0.00 N ATOM 370 C4 DT B 12 -2.464 -2.417 14.256 1.00 0.00 C ATOM 371 O4 DT B 12 -1.362 -2.352 14.808 1.00 0.00 O ATOM 372 C5 DT B 12 -2.874 -3.342 13.202 1.00 0.00 C ATOM 373 C7 DT B 12 -1.882 -4.354 12.641 1.00 0.00 C ATOM 374 C6 DT B 12 -4.127 -3.271 12.665 1.00 0.00 C ATOM 0 H5' DT B 12 -8.758 -4.336 13.682 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.190 -4.822 12.055 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.354 -2.439 12.282 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.238 -3.423 10.029 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.934 -3.499 10.776 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.998 -1.910 10.040 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.063 -0.818 12.010 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.230 -0.922 15.432 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.418 -5.244 12.311 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.353 -3.914 11.796 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.165 -4.628 13.415 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.437 -4.016 11.947 1.00 0.00 H new ATOM 387 P DG B 13 -8.786 -1.176 8.664 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.244 -1.077 8.440 1.00 0.00 O ATOM 389 OP2 DG B 13 -7.980 -2.142 7.889 1.00 0.00 O ATOM 390 O5' DG B 13 -8.135 0.277 8.436 1.00 0.00 O ATOM 391 C5' DG B 13 -8.687 1.440 9.030 1.00 0.00 C ATOM 392 C4' DG B 13 -7.774 2.664 8.855 1.00 0.00 C ATOM 393 O4' DG B 13 -6.501 2.364 9.423 1.00 0.00 O ATOM 394 C3' DG B 13 -7.554 3.115 7.403 1.00 0.00 C ATOM 395 O3' DG B 13 -7.426 4.532 7.366 1.00 0.00 O ATOM 396 C2' DG B 13 -6.270 2.395 7.071 1.00 0.00 C ATOM 397 C1' DG B 13 -5.525 2.376 8.396 1.00 0.00 C ATOM 398 N9 DG B 13 -4.618 1.209 8.450 1.00 0.00 N ATOM 399 C8 DG B 13 -4.875 -0.118 8.200 1.00 0.00 C ATOM 400 N7 DG B 13 -3.815 -0.880 8.214 1.00 0.00 N ATOM 401 C5 DG B 13 -2.771 0.009 8.489 1.00 0.00 C ATOM 402 C6 DG B 13 -1.361 -0.199 8.672 1.00 0.00 C ATOM 403 O6 DG B 13 -0.712 -1.245 8.672 1.00 0.00 O ATOM 404 N1 DG B 13 -0.671 0.975 8.917 1.00 0.00 N ATOM 405 C2 DG B 13 -1.254 2.198 9.034 1.00 0.00 C ATOM 406 N2 DG B 13 -0.479 3.218 9.308 1.00 0.00 N ATOM 407 N3 DG B 13 -2.553 2.429 8.881 1.00 0.00 N ATOM 408 C4 DG B 13 -3.261 1.290 8.619 1.00 0.00 C ATOM 0 H5' DG B 13 -8.853 1.261 10.092 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.660 1.647 8.585 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.284 3.487 9.355 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.356 2.889 6.700 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.458 1.387 6.701 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.704 2.917 6.299 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.892 3.255 8.519 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.868 -0.497 8.009 1.00 0.00 H new ATOM 0 H1 DG B 13 0.343 0.919 9.016 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.879 4.151 9.404 1.00 0.00 H new ATOM 0 H22 DG B 13 0.525 3.079 9.426 1.00 0.00 H new ATOM 420 P DT B 14 -7.183 5.366 5.997 1.00 0.00 P ATOM 421 OP1 DT B 14 -8.040 6.570 6.036 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.266 4.436 4.849 1.00 0.00 O ATOM 423 O5' DT B 14 -5.646 5.835 6.141 1.00 0.00 O ATOM 424 C5' DT B 14 -5.260 6.753 7.153 1.00 0.00 C ATOM 425 C4' DT B 14 -3.781 7.167 7.075 1.00 0.00 C ATOM 426 O4' DT B 14 -2.953 6.025 7.253 1.00 0.00 O ATOM 427 C3' DT B 14 -3.382 7.842 5.756 1.00 0.00 C ATOM 428 O3' DT B 14 -2.451 8.882 6.029 1.00 0.00 O ATOM 429 C2' DT B 14 -2.762 6.688 4.988 1.00 0.00 C ATOM 430 C1' DT B 14 -2.123 5.871 6.113 1.00 0.00 C ATOM 431 N1 DT B 14 -1.976 4.423 5.804 1.00 0.00 N ATOM 432 C2 DT B 14 -0.733 3.826 6.040 1.00 0.00 C ATOM 433 O2 DT B 14 0.259 4.439 6.418 1.00 0.00 O ATOM 434 N3 DT B 14 -0.647 2.470 5.821 1.00 0.00 N ATOM 435 C4 DT B 14 -1.665 1.663 5.361 1.00 0.00 C ATOM 436 O4 DT B 14 -1.447 0.464 5.225 1.00 0.00 O ATOM 437 C5 DT B 14 -2.923 2.352 5.085 1.00 0.00 C ATOM 438 C7 DT B 14 -4.109 1.575 4.533 1.00 0.00 C ATOM 439 C6 DT B 14 -3.040 3.685 5.322 1.00 0.00 C ATOM 0 H5' DT B 14 -5.453 6.308 8.129 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.883 7.645 7.080 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.642 7.901 7.869 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.194 8.316 5.204 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.509 6.114 4.439 1.00 0.00 H new ATOM 0 H2'' DT B 14 -2.025 7.030 4.261 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.110 6.242 6.269 1.00 0.00 H new ATOM 0 H3 DT B 14 0.249 2.023 6.016 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.749 0.741 3.930 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.710 1.193 5.358 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.719 2.233 3.914 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.982 4.177 5.130 1.00 0.00 H new ATOM 452 P DA B 15 -1.850 9.836 4.871 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.513 11.142 5.478 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.751 9.773 3.700 1.00 0.00 O ATOM 455 O5' DA B 15 -0.474 9.084 4.489 1.00 0.00 O ATOM 456 C5' DA B 15 0.637 9.106 5.374 1.00 0.00 C ATOM 457 C4' DA B 15 1.853 8.359 4.813 1.00 0.00 C ATOM 458 O4' DA B 15 1.602 6.959 4.791 1.00 0.00 O ATOM 459 C3' DA B 15 2.239 8.796 3.393 1.00 0.00 C ATOM 460 O3' DA B 15 3.626 9.104 3.359 1.00 0.00 O ATOM 461 C2' DA B 15 1.897 7.557 2.582 1.00 0.00 C ATOM 462 C1' DA B 15 2.121 6.430 3.588 1.00 0.00 C ATOM 463 N9 DA B 15 1.411 5.175 3.242 1.00 0.00 N ATOM 464 C8 DA B 15 0.104 5.015 2.845 1.00 0.00 C ATOM 465 N7 DA B 15 -0.260 3.776 2.654 1.00 0.00 N ATOM 466 C5 DA B 15 0.909 3.058 2.938 1.00 0.00 C ATOM 467 C6 DA B 15 1.245 1.684 2.946 1.00 0.00 C ATOM 468 N6 DA B 15 0.382 0.713 2.704 1.00 0.00 N ATOM 469 N1 DA B 15 2.493 1.289 3.222 1.00 0.00 N ATOM 470 C2 DA B 15 3.393 2.222 3.513 1.00 0.00 C ATOM 471 N3 DA B 15 3.219 3.541 3.562 1.00 0.00 N ATOM 472 C4 DA B 15 1.938 3.901 3.271 1.00 0.00 C ATOM 0 H5' DA B 15 0.348 8.659 6.325 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.913 10.140 5.579 1.00 0.00 H new ATOM 0 H4' DA B 15 2.682 8.604 5.477 1.00 0.00 H new ATOM 0 H3' DA B 15 1.735 9.688 3.022 1.00 0.00 H new ATOM 0 H2' DA B 15 0.869 7.580 2.221 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.540 7.454 1.708 1.00 0.00 H new ATOM 0 H1' DA B 15 3.173 6.148 3.631 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.568 5.848 2.703 1.00 0.00 H new ATOM 0 H61 DA B 15 0.689 -0.259 2.725 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.591 0.936 2.496 1.00 0.00 H new ATOM 0 H2 DA B 15 4.388 1.867 3.737 1.00 0.00 H new ATOM 484 P DC B 16 4.338 9.727 2.049 1.00 0.00 P ATOM 485 OP1 DC B 16 5.453 10.598 2.477 1.00 0.00 O ATOM 486 OP2 DC B 16 3.301 10.241 1.131 1.00 0.00 O ATOM 487 O5' DC B 16 4.967 8.407 1.388 1.00 0.00 O ATOM 488 C5' DC B 16 6.119 7.797 1.943 1.00 0.00 C ATOM 489 C4' DC B 16 6.496 6.528 1.177 1.00 0.00 C ATOM 490 O4' DC B 16 5.642 5.456 1.521 1.00 0.00 O ATOM 491 C3' DC B 16 6.396 6.660 -0.346 1.00 0.00 C ATOM 492 O3' DC B 16 7.553 7.248 -0.911 1.00 0.00 O ATOM 493 C2' DC B 16 6.256 5.202 -0.763 1.00 0.00 C ATOM 494 C1' DC B 16 5.676 4.504 0.476 1.00 0.00 C ATOM 495 N1 DC B 16 4.299 4.002 0.237 1.00 0.00 N ATOM 496 C2 DC B 16 4.086 2.623 0.166 1.00 0.00 C ATOM 497 O2 DC B 16 5.005 1.817 0.314 1.00 0.00 O ATOM 498 N3 DC B 16 2.846 2.141 -0.090 1.00 0.00 N ATOM 499 C4 DC B 16 1.846 2.986 -0.263 1.00 0.00 C ATOM 500 N4 DC B 16 0.667 2.445 -0.435 1.00 0.00 N ATOM 501 C5 DC B 16 2.012 4.404 -0.226 1.00 0.00 C ATOM 502 C6 DC B 16 3.261 4.874 0.030 1.00 0.00 C ATOM 0 H5' DC B 16 5.936 7.553 2.989 1.00 0.00 H new ATOM 0 H5'' DC B 16 6.952 8.499 1.921 1.00 0.00 H new ATOM 0 H4' DC B 16 7.533 6.350 1.460 1.00 0.00 H new ATOM 0 H3' DC B 16 5.583 7.306 -0.676 1.00 0.00 H new ATOM 0 H2' DC B 16 5.596 5.097 -1.624 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.218 4.775 -1.045 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.446 7.311 -1.883 1.00 0.00 H new ATOM 0 H1' DC B 16 6.300 3.645 0.725 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.151 3.038 -0.574 1.00 0.00 H new ATOM 0 H42 DC B 16 0.566 1.430 -0.430 1.00 0.00 H new ATOM 0 H5 DC B 16 1.181 5.073 -0.394 1.00 0.00 H new ATOM 0 H6 DC B 16 3.437 5.939 0.071 1.00 0.00 H new TER 515 DC B 16