USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.259 (180deg=-0.259) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.261 (180deg=-0.261) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.340 11.003 24.391 1.00 0.00 O ATOM 2 C5' DG A 1 5.172 11.717 24.731 1.00 0.00 C ATOM 3 C4' DG A 1 3.963 11.209 23.936 1.00 0.00 C ATOM 4 O4' DG A 1 4.189 11.389 22.544 1.00 0.00 O ATOM 5 C3' DG A 1 3.635 9.731 24.194 1.00 0.00 C ATOM 6 O3' DG A 1 2.231 9.559 24.307 1.00 0.00 O ATOM 7 C2' DG A 1 4.195 9.118 22.921 1.00 0.00 C ATOM 8 C1' DG A 1 3.845 10.185 21.893 1.00 0.00 C ATOM 9 N9 DG A 1 4.599 10.006 20.626 1.00 0.00 N ATOM 10 C8 DG A 1 5.961 9.985 20.419 1.00 0.00 C ATOM 11 N7 DG A 1 6.308 9.842 19.171 1.00 0.00 N ATOM 12 C5 DG A 1 5.099 9.771 18.491 1.00 0.00 C ATOM 13 C6 DG A 1 4.843 9.649 17.092 1.00 0.00 C ATOM 14 O6 DG A 1 5.663 9.575 16.179 1.00 0.00 O ATOM 15 N1 DG A 1 3.481 9.619 16.801 1.00 0.00 N ATOM 16 C2 DG A 1 2.479 9.712 17.750 1.00 0.00 C ATOM 17 N2 DG A 1 1.216 9.658 17.317 1.00 0.00 N ATOM 18 N3 DG A 1 2.720 9.848 19.064 1.00 0.00 N ATOM 19 C4 DG A 1 4.047 9.871 19.371 1.00 0.00 C ATOM 0 H5' DG A 1 5.321 12.779 24.534 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.978 11.615 25.799 1.00 0.00 H new ATOM 0 H4' DG A 1 3.110 11.796 24.276 1.00 0.00 H new ATOM 0 H3' DG A 1 4.038 9.298 25.110 1.00 0.00 H new ATOM 0 H2' DG A 1 5.270 8.947 22.986 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.733 8.158 22.690 1.00 0.00 H new ATOM 0 HO5' DG A 1 7.097 11.347 24.910 1.00 0.00 H new ATOM 0 H1' DG A 1 2.798 10.151 21.591 1.00 0.00 H new ATOM 0 H8 DG A 1 6.678 10.079 21.221 1.00 0.00 H new ATOM 0 H1 DG A 1 3.204 9.522 15.824 1.00 0.00 H new ATOM 0 H21 DG A 1 0.446 9.723 17.982 1.00 0.00 H new ATOM 0 H22 DG A 1 1.022 9.552 16.321 1.00 0.00 H new ATOM 32 P DC A 2 1.548 8.113 24.549 1.00 0.00 P ATOM 33 OP1 DC A 2 0.511 8.266 25.593 1.00 0.00 O ATOM 34 OP2 DC A 2 2.614 7.101 24.720 1.00 0.00 O ATOM 35 O5' DC A 2 0.813 7.835 23.136 1.00 0.00 O ATOM 36 C5' DC A 2 -0.315 8.595 22.748 1.00 0.00 C ATOM 37 C4' DC A 2 -1.077 8.049 21.543 1.00 0.00 C ATOM 38 O4' DC A 2 -0.321 8.160 20.349 1.00 0.00 O ATOM 39 C3' DC A 2 -1.431 6.580 21.779 1.00 0.00 C ATOM 40 O3' DC A 2 -2.746 6.335 21.309 1.00 0.00 O ATOM 41 C2' DC A 2 -0.331 5.913 20.989 1.00 0.00 C ATOM 42 C1' DC A 2 -0.143 6.866 19.812 1.00 0.00 C ATOM 43 N1 DC A 2 1.225 6.745 19.260 1.00 0.00 N ATOM 44 C2 DC A 2 1.433 6.526 17.897 1.00 0.00 C ATOM 45 O2 DC A 2 0.498 6.493 17.100 1.00 0.00 O ATOM 46 N3 DC A 2 2.716 6.348 17.462 1.00 0.00 N ATOM 47 C4 DC A 2 3.749 6.356 18.319 1.00 0.00 C ATOM 48 N4 DC A 2 4.989 6.219 17.841 1.00 0.00 N ATOM 49 C5 DC A 2 3.542 6.603 19.717 1.00 0.00 C ATOM 50 C6 DC A 2 2.283 6.819 20.121 1.00 0.00 C ATOM 0 H5' DC A 2 0.010 9.611 22.524 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.000 8.659 23.594 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.984 8.643 21.428 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.464 6.227 22.810 1.00 0.00 H new ATOM 0 H2' DC A 2 0.582 5.807 21.575 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.616 4.914 20.660 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.843 6.648 19.005 1.00 0.00 H new ATOM 0 H41 DC A 2 5.785 6.223 18.479 1.00 0.00 H new ATOM 0 H42 DC A 2 5.140 6.110 16.838 1.00 0.00 H new ATOM 0 H5 DC A 2 4.366 6.614 20.414 1.00 0.00 H new ATOM 0 H6 DC A 2 2.099 7.059 21.158 1.00 0.00 H new ATOM 62 P DG A 3 -3.364 4.852 21.142 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.827 4.936 21.352 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.561 3.898 21.938 1.00 0.00 O ATOM 65 O5' DG A 3 -3.090 4.579 19.573 1.00 0.00 O ATOM 66 C5' DG A 3 -3.753 5.358 18.595 1.00 0.00 C ATOM 67 C4' DG A 3 -3.548 4.855 17.176 1.00 0.00 C ATOM 68 O4' DG A 3 -2.186 4.897 16.793 1.00 0.00 O ATOM 69 C3' DG A 3 -4.082 3.425 17.094 1.00 0.00 C ATOM 70 O3' DG A 3 -5.104 3.329 16.117 1.00 0.00 O ATOM 71 C2' DG A 3 -2.807 2.664 16.784 1.00 0.00 C ATOM 72 C1' DG A 3 -1.849 3.675 16.171 1.00 0.00 C ATOM 73 N9 DG A 3 -0.432 3.377 16.472 1.00 0.00 N ATOM 74 C8 DG A 3 0.161 3.243 17.700 1.00 0.00 C ATOM 75 N7 DG A 3 1.463 3.274 17.678 1.00 0.00 N ATOM 76 C5 DG A 3 1.760 3.408 16.328 1.00 0.00 C ATOM 77 C6 DG A 3 3.020 3.554 15.679 1.00 0.00 C ATOM 78 O6 DG A 3 4.120 3.714 16.201 1.00 0.00 O ATOM 79 N1 DG A 3 2.907 3.500 14.292 1.00 0.00 N ATOM 80 C2 DG A 3 1.708 3.420 13.607 1.00 0.00 C ATOM 81 N2 DG A 3 1.760 3.389 12.272 1.00 0.00 N ATOM 82 N3 DG A 3 0.514 3.405 14.219 1.00 0.00 N ATOM 83 C4 DG A 3 0.609 3.390 15.576 1.00 0.00 C ATOM 0 H5' DG A 3 -3.400 6.387 18.661 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.820 5.372 18.816 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.088 5.504 16.487 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.578 3.037 17.984 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.385 2.226 17.689 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.001 1.843 16.094 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.942 3.675 15.085 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.405 3.122 18.612 1.00 0.00 H new ATOM 0 H1 DG A 3 3.767 3.521 13.744 1.00 0.00 H new ATOM 0 H21 DG A 3 0.898 3.330 11.729 1.00 0.00 H new ATOM 0 H22 DG A 3 2.661 3.424 11.796 1.00 0.00 H new ATOM 95 P DT A 4 -5.836 1.930 15.759 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.078 2.231 15.014 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.885 1.087 16.975 1.00 0.00 O ATOM 98 O5' DT A 4 -4.772 1.288 14.734 1.00 0.00 O ATOM 99 C5' DT A 4 -4.404 2.000 13.574 1.00 0.00 C ATOM 100 C4' DT A 4 -3.208 1.411 12.834 1.00 0.00 C ATOM 101 O4' DT A 4 -2.043 1.558 13.616 1.00 0.00 O ATOM 102 C3' DT A 4 -3.364 -0.074 12.473 1.00 0.00 C ATOM 103 O3' DT A 4 -3.402 -0.207 11.064 1.00 0.00 O ATOM 104 C2' DT A 4 -2.130 -0.686 13.135 1.00 0.00 C ATOM 105 C1' DT A 4 -1.184 0.503 13.263 1.00 0.00 C ATOM 106 N1 DT A 4 -0.177 0.260 14.318 1.00 0.00 N ATOM 107 C2 DT A 4 1.180 0.215 13.996 1.00 0.00 C ATOM 108 O2 DT A 4 1.605 0.232 12.843 1.00 0.00 O ATOM 109 N3 DT A 4 2.056 0.148 15.071 1.00 0.00 N ATOM 110 C4 DT A 4 1.696 0.073 16.411 1.00 0.00 C ATOM 111 O4 DT A 4 2.563 0.042 17.281 1.00 0.00 O ATOM 112 C5 DT A 4 0.263 0.039 16.644 1.00 0.00 C ATOM 113 C7 DT A 4 -0.287 -0.097 18.044 1.00 0.00 C ATOM 114 C6 DT A 4 -0.604 0.137 15.612 1.00 0.00 C ATOM 0 H5' DT A 4 -4.176 3.029 13.850 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.257 2.033 12.896 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.138 1.965 11.898 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.277 -0.563 12.812 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.367 -1.120 14.107 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.699 -1.481 12.527 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.616 0.703 12.354 1.00 0.00 H new ATOM 0 H3 DT A 4 3.053 0.154 14.858 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.253 0.405 18.106 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.411 -1.153 18.285 1.00 0.00 H new ATOM 0 H73 DT A 4 0.405 0.358 18.753 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.665 0.118 15.815 1.00 0.00 H new ATOM 127 P DA A 5 -3.514 -1.640 10.333 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.174 -1.443 9.023 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.058 -2.626 11.293 1.00 0.00 O ATOM 130 O5' DA A 5 -1.964 -1.989 10.073 1.00 0.00 O ATOM 131 C5' DA A 5 -1.179 -1.207 9.193 1.00 0.00 C ATOM 132 C4' DA A 5 0.230 -1.790 9.085 1.00 0.00 C ATOM 133 O4' DA A 5 0.909 -1.686 10.325 1.00 0.00 O ATOM 134 C3' DA A 5 0.216 -3.270 8.669 1.00 0.00 C ATOM 135 O3' DA A 5 0.974 -3.396 7.480 1.00 0.00 O ATOM 136 C2' DA A 5 0.810 -3.953 9.906 1.00 0.00 C ATOM 137 C1' DA A 5 1.694 -2.848 10.494 1.00 0.00 C ATOM 138 N9 DA A 5 1.973 -3.047 11.933 1.00 0.00 N ATOM 139 C8 DA A 5 1.043 -3.258 12.908 1.00 0.00 C ATOM 140 N7 DA A 5 1.484 -3.142 14.127 1.00 0.00 N ATOM 141 C5 DA A 5 2.836 -2.880 13.947 1.00 0.00 C ATOM 142 C6 DA A 5 3.889 -2.648 14.855 1.00 0.00 C ATOM 143 N6 DA A 5 3.689 -2.545 16.172 1.00 0.00 N ATOM 144 N1 DA A 5 5.135 -2.498 14.369 1.00 0.00 N ATOM 145 C2 DA A 5 5.320 -2.547 13.051 1.00 0.00 C ATOM 146 N3 DA A 5 4.409 -2.701 12.091 1.00 0.00 N ATOM 147 C4 DA A 5 3.161 -2.869 12.611 1.00 0.00 C ATOM 0 H5' DA A 5 -1.129 -0.180 9.554 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.645 -1.177 8.208 1.00 0.00 H new ATOM 0 H4' DA A 5 0.744 -1.212 8.317 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.749 -3.713 8.423 1.00 0.00 H new ATOM 0 H2' DA A 5 0.037 -4.271 10.606 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.387 -4.840 9.644 1.00 0.00 H new ATOM 0 H1' DA A 5 2.670 -2.814 10.009 1.00 0.00 H new ATOM 0 H8 DA A 5 0.015 -3.504 12.685 1.00 0.00 H new ATOM 0 H61 DA A 5 4.478 -2.377 16.796 1.00 0.00 H new ATOM 0 H62 DA A 5 2.747 -2.635 16.553 1.00 0.00 H new ATOM 0 H2 DA A 5 6.342 -2.449 12.717 1.00 0.00 H new ATOM 159 P DC A 6 1.258 -4.813 6.766 1.00 0.00 P ATOM 160 OP1 DC A 6 1.600 -4.560 5.348 1.00 0.00 O ATOM 161 OP2 DC A 6 0.168 -5.753 7.110 1.00 0.00 O ATOM 162 O5' DC A 6 2.592 -5.270 7.535 1.00 0.00 O ATOM 163 C5' DC A 6 3.758 -4.472 7.501 1.00 0.00 C ATOM 164 C4' DC A 6 4.804 -5.040 8.457 1.00 0.00 C ATOM 165 O4' DC A 6 4.321 -4.894 9.773 1.00 0.00 O ATOM 166 C3' DC A 6 5.164 -6.516 8.272 1.00 0.00 C ATOM 167 O3' DC A 6 6.370 -6.680 7.543 1.00 0.00 O ATOM 168 C2' DC A 6 5.233 -7.033 9.707 1.00 0.00 C ATOM 169 C1' DC A 6 5.046 -5.796 10.566 1.00 0.00 C ATOM 170 N1 DC A 6 4.328 -6.082 11.834 1.00 0.00 N ATOM 171 C2 DC A 6 4.999 -5.911 13.042 1.00 0.00 C ATOM 172 O2 DC A 6 6.214 -5.738 13.083 1.00 0.00 O ATOM 173 N3 DC A 6 4.277 -5.937 14.194 1.00 0.00 N ATOM 174 C4 DC A 6 2.955 -6.158 14.186 1.00 0.00 C ATOM 175 N4 DC A 6 2.300 -6.108 15.350 1.00 0.00 N ATOM 176 C5 DC A 6 2.250 -6.396 12.957 1.00 0.00 C ATOM 177 C6 DC A 6 2.981 -6.353 11.819 1.00 0.00 C ATOM 0 H5' DC A 6 3.516 -3.447 7.781 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.158 -4.440 6.488 1.00 0.00 H new ATOM 0 H4' DC A 6 5.714 -4.479 8.243 1.00 0.00 H new ATOM 0 H3' DC A 6 4.443 -7.074 7.674 1.00 0.00 H new ATOM 0 H2' DC A 6 4.455 -7.772 9.900 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.189 -7.516 9.909 1.00 0.00 H new ATOM 0 H1' DC A 6 6.012 -5.394 10.872 1.00 0.00 H new ATOM 0 H41 DC A 6 1.294 -6.272 15.376 1.00 0.00 H new ATOM 0 H42 DC A 6 2.807 -5.906 16.212 1.00 0.00 H new ATOM 0 H5 DC A 6 1.189 -6.599 12.942 1.00 0.00 H new ATOM 0 H6 DC A 6 2.492 -6.537 10.873 1.00 0.00 H new ATOM 189 P DG A 7 7.007 -8.139 7.244 1.00 0.00 P ATOM 190 OP1 DG A 7 7.961 -8.003 6.121 1.00 0.00 O ATOM 191 OP2 DG A 7 5.908 -9.127 7.160 1.00 0.00 O ATOM 192 O5' DG A 7 7.851 -8.438 8.589 1.00 0.00 O ATOM 193 C5' DG A 7 8.942 -7.615 8.952 1.00 0.00 C ATOM 194 C4' DG A 7 9.576 -8.013 10.286 1.00 0.00 C ATOM 195 O4' DG A 7 8.684 -7.761 11.361 1.00 0.00 O ATOM 196 C3' DG A 7 9.962 -9.499 10.309 1.00 0.00 C ATOM 197 O3' DG A 7 11.295 -9.648 10.765 1.00 0.00 O ATOM 198 C2' DG A 7 8.913 -10.050 11.264 1.00 0.00 C ATOM 199 C1' DG A 7 8.713 -8.882 12.219 1.00 0.00 C ATOM 200 N9 DG A 7 7.443 -8.998 12.969 1.00 0.00 N ATOM 201 C8 DG A 7 6.209 -9.341 12.483 1.00 0.00 C ATOM 202 N7 DG A 7 5.239 -9.225 13.345 1.00 0.00 N ATOM 203 C5 DG A 7 5.882 -8.818 14.509 1.00 0.00 C ATOM 204 C6 DG A 7 5.349 -8.564 15.808 1.00 0.00 C ATOM 205 O6 DG A 7 4.171 -8.553 16.149 1.00 0.00 O ATOM 206 N1 DG A 7 6.342 -8.308 16.750 1.00 0.00 N ATOM 207 C2 DG A 7 7.695 -8.273 16.468 1.00 0.00 C ATOM 208 N2 DG A 7 8.527 -8.049 17.490 1.00 0.00 N ATOM 209 N3 DG A 7 8.193 -8.455 15.235 1.00 0.00 N ATOM 210 C4 DG A 7 7.240 -8.729 14.303 1.00 0.00 C ATOM 0 H5' DG A 7 8.605 -6.580 9.011 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.699 -7.659 8.169 1.00 0.00 H new ATOM 0 H4' DG A 7 10.477 -7.410 10.400 1.00 0.00 H new ATOM 0 H3' DG A 7 9.962 -10.014 9.348 1.00 0.00 H new ATOM 0 H2' DG A 7 7.991 -10.318 10.748 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.261 -10.945 11.780 1.00 0.00 H new ATOM 0 H1' DG A 7 9.493 -8.828 12.979 1.00 0.00 H new ATOM 0 H8 DG A 7 6.053 -9.680 11.469 1.00 0.00 H new ATOM 0 H1 DG A 7 6.052 -8.135 17.712 1.00 0.00 H new ATOM 0 H21 DG A 7 9.534 -8.015 17.330 1.00 0.00 H new ATOM 0 H22 DG A 7 8.155 -7.913 18.430 1.00 0.00 H new ATOM 222 P DC A 8 11.989 -11.097 10.938 1.00 0.00 P ATOM 223 OP1 DC A 8 13.456 -10.925 10.844 1.00 0.00 O ATOM 224 OP2 DC A 8 11.301 -12.064 10.054 1.00 0.00 O ATOM 225 O5' DC A 8 11.613 -11.448 12.464 1.00 0.00 O ATOM 226 C5' DC A 8 12.244 -10.774 13.534 1.00 0.00 C ATOM 227 C4' DC A 8 11.606 -11.139 14.875 1.00 0.00 C ATOM 228 O4' DC A 8 10.249 -10.761 14.882 1.00 0.00 O ATOM 229 C3' DC A 8 11.599 -12.634 15.194 1.00 0.00 C ATOM 230 O3' DC A 8 12.810 -13.067 15.778 1.00 0.00 O ATOM 231 C2' DC A 8 10.423 -12.752 16.162 1.00 0.00 C ATOM 232 C1' DC A 8 9.634 -11.455 15.948 1.00 0.00 C ATOM 233 N1 DC A 8 8.205 -11.726 15.635 1.00 0.00 N ATOM 234 C2 DC A 8 7.246 -11.556 16.635 1.00 0.00 C ATOM 235 O2 DC A 8 7.562 -11.264 17.786 1.00 0.00 O ATOM 236 N3 DC A 8 5.934 -11.721 16.309 1.00 0.00 N ATOM 237 C4 DC A 8 5.560 -12.054 15.064 1.00 0.00 C ATOM 238 N4 DC A 8 4.254 -12.148 14.796 1.00 0.00 N ATOM 239 C5 DC A 8 6.533 -12.274 14.030 1.00 0.00 C ATOM 240 C6 DC A 8 7.832 -12.096 14.365 1.00 0.00 C ATOM 0 H5' DC A 8 12.177 -9.697 13.378 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.304 -11.028 13.552 1.00 0.00 H new ATOM 0 H4' DC A 8 12.217 -10.616 15.611 1.00 0.00 H new ATOM 0 H3' DC A 8 11.502 -13.262 14.308 1.00 0.00 H new ATOM 0 H2' DC A 8 9.814 -13.630 15.945 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.763 -12.847 17.193 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.758 -14.027 15.965 1.00 0.00 H new ATOM 0 H1' DC A 8 9.646 -10.861 16.862 1.00 0.00 H new ATOM 0 H41 DC A 8 3.943 -12.399 13.858 1.00 0.00 H new ATOM 0 H42 DC A 8 3.569 -11.968 15.530 1.00 0.00 H new ATOM 0 H5 DC A 8 6.241 -12.568 13.032 1.00 0.00 H new ATOM 0 H6 DC A 8 8.595 -12.249 13.616 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.091 -13.073 24.788 1.00 0.00 O ATOM 255 C5' DG B 1 -0.933 -11.672 24.859 1.00 0.00 C ATOM 256 C4' DG B 1 0.558 -11.313 24.900 1.00 0.00 C ATOM 257 O4' DG B 1 1.176 -11.709 23.681 1.00 0.00 O ATOM 258 C3' DG B 1 0.778 -9.805 25.073 1.00 0.00 C ATOM 259 O3' DG B 1 1.964 -9.566 25.812 1.00 0.00 O ATOM 260 C2' DG B 1 0.907 -9.411 23.611 1.00 0.00 C ATOM 261 C1' DG B 1 1.743 -10.565 23.076 1.00 0.00 C ATOM 262 N9 DG B 1 1.707 -10.647 21.592 1.00 0.00 N ATOM 263 C8 DG B 1 0.620 -10.736 20.749 1.00 0.00 C ATOM 264 N7 DG B 1 0.931 -10.820 19.486 1.00 0.00 N ATOM 265 C5 DG B 1 2.319 -10.800 19.479 1.00 0.00 C ATOM 266 C6 DG B 1 3.229 -10.897 18.382 1.00 0.00 C ATOM 267 O6 DG B 1 2.961 -11.015 17.189 1.00 0.00 O ATOM 268 N1 DG B 1 4.560 -10.848 18.790 1.00 0.00 N ATOM 269 C2 DG B 1 4.969 -10.734 20.107 1.00 0.00 C ATOM 270 N2 DG B 1 6.284 -10.691 20.341 1.00 0.00 N ATOM 271 N3 DG B 1 4.113 -10.661 21.139 1.00 0.00 N ATOM 272 C4 DG B 1 2.805 -10.699 20.762 1.00 0.00 C ATOM 0 H5' DG B 1 -1.433 -11.286 25.747 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.405 -11.200 23.997 1.00 0.00 H new ATOM 0 H4' DG B 1 0.994 -11.834 25.752 1.00 0.00 H new ATOM 0 H3' DG B 1 0.010 -9.257 25.619 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.061 -9.338 23.116 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.403 -8.449 23.485 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.046 -13.294 24.764 1.00 0.00 H new ATOM 0 H1' DG B 1 2.801 -10.449 23.313 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.400 -10.736 21.104 1.00 0.00 H new ATOM 0 H1 DG B 1 5.281 -10.900 18.070 1.00 0.00 H new ATOM 0 H21 DG B 1 6.629 -10.607 21.297 1.00 0.00 H new ATOM 0 H22 DG B 1 6.942 -10.742 19.563 1.00 0.00 H new ATOM 285 P DC B 2 2.494 -8.075 26.145 1.00 0.00 P ATOM 286 OP1 DC B 2 2.874 -8.033 27.575 1.00 0.00 O ATOM 287 OP2 DC B 2 1.522 -7.091 25.618 1.00 0.00 O ATOM 288 O5' DC B 2 3.840 -7.977 25.255 1.00 0.00 O ATOM 289 C5' DC B 2 4.985 -8.735 25.594 1.00 0.00 C ATOM 290 C4' DC B 2 6.259 -8.346 24.848 1.00 0.00 C ATOM 291 O4' DC B 2 6.180 -8.673 23.471 1.00 0.00 O ATOM 292 C3' DC B 2 6.504 -6.844 24.995 1.00 0.00 C ATOM 293 O3' DC B 2 7.889 -6.614 25.197 1.00 0.00 O ATOM 294 C2' DC B 2 5.958 -6.356 23.675 1.00 0.00 C ATOM 295 C1' DC B 2 6.335 -7.486 22.721 1.00 0.00 C ATOM 296 N1 DC B 2 5.418 -7.514 21.561 1.00 0.00 N ATOM 297 C2 DC B 2 5.912 -7.520 20.254 1.00 0.00 C ATOM 298 O2 DC B 2 7.117 -7.570 20.023 1.00 0.00 O ATOM 299 N3 DC B 2 5.014 -7.473 19.226 1.00 0.00 N ATOM 300 C4 DC B 2 3.693 -7.394 19.458 1.00 0.00 C ATOM 301 N4 DC B 2 2.852 -7.392 18.420 1.00 0.00 N ATOM 302 C5 DC B 2 3.181 -7.409 20.797 1.00 0.00 C ATOM 303 C6 DC B 2 4.072 -7.500 21.794 1.00 0.00 C ATOM 0 H5' DC B 2 4.776 -9.787 25.402 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.164 -8.636 26.665 1.00 0.00 H new ATOM 0 H4' DC B 2 7.084 -8.908 25.285 1.00 0.00 H new ATOM 0 H3' DC B 2 6.040 -6.337 25.841 1.00 0.00 H new ATOM 0 H2' DC B 2 4.880 -6.202 23.714 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.405 -5.408 23.377 1.00 0.00 H new ATOM 0 H1' DC B 2 7.347 -7.363 22.336 1.00 0.00 H new ATOM 0 H41 DC B 2 1.846 -7.333 18.579 1.00 0.00 H new ATOM 0 H42 DC B 2 3.216 -7.450 17.469 1.00 0.00 H new ATOM 0 H5 DC B 2 2.121 -7.349 20.994 1.00 0.00 H new ATOM 0 H6 DC B 2 3.715 -7.564 22.811 1.00 0.00 H new ATOM 315 P DG B 3 8.564 -5.149 25.123 1.00 0.00 P ATOM 316 OP1 DG B 3 9.732 -5.133 26.032 1.00 0.00 O ATOM 317 OP2 DG B 3 7.510 -4.120 25.263 1.00 0.00 O ATOM 318 O5' DG B 3 9.104 -5.135 23.600 1.00 0.00 O ATOM 319 C5' DG B 3 10.132 -6.027 23.208 1.00 0.00 C ATOM 320 C4' DG B 3 10.666 -5.762 21.811 1.00 0.00 C ATOM 321 O4' DG B 3 9.663 -5.924 20.824 1.00 0.00 O ATOM 322 C3' DG B 3 11.225 -4.340 21.774 1.00 0.00 C ATOM 323 O3' DG B 3 12.598 -4.353 21.421 1.00 0.00 O ATOM 324 C2' DG B 3 10.296 -3.695 20.764 1.00 0.00 C ATOM 325 C1' DG B 3 9.721 -4.832 19.932 1.00 0.00 C ATOM 326 N9 DG B 3 8.350 -4.553 19.451 1.00 0.00 N ATOM 327 C8 DG B 3 7.239 -4.253 20.194 1.00 0.00 C ATOM 328 N7 DG B 3 6.113 -4.345 19.546 1.00 0.00 N ATOM 329 C5 DG B 3 6.508 -4.704 18.264 1.00 0.00 C ATOM 330 C6 DG B 3 5.720 -5.005 17.115 1.00 0.00 C ATOM 331 O6 DG B 3 4.500 -5.129 17.052 1.00 0.00 O ATOM 332 N1 DG B 3 6.498 -5.166 15.972 1.00 0.00 N ATOM 333 C2 DG B 3 7.881 -5.142 15.955 1.00 0.00 C ATOM 334 N2 DG B 3 8.488 -5.323 14.778 1.00 0.00 N ATOM 335 N3 DG B 3 8.623 -4.977 17.060 1.00 0.00 N ATOM 336 C4 DG B 3 7.879 -4.753 18.176 1.00 0.00 C ATOM 0 H5' DG B 3 9.754 -7.048 23.256 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.953 -5.958 23.921 1.00 0.00 H new ATOM 0 H4' DG B 3 11.449 -6.486 21.587 1.00 0.00 H new ATOM 0 H3' DG B 3 11.236 -3.795 22.718 1.00 0.00 H new ATOM 0 H2' DG B 3 9.503 -3.138 21.264 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.835 -2.986 20.135 1.00 0.00 H new ATOM 0 H1' DG B 3 10.333 -5.000 19.046 1.00 0.00 H new ATOM 0 H8 DG B 3 7.292 -3.964 21.233 1.00 0.00 H new ATOM 0 H1 DG B 3 6.015 -5.312 15.086 1.00 0.00 H new ATOM 0 H21 DG B 3 9.506 -5.312 14.722 1.00 0.00 H new ATOM 0 H22 DG B 3 7.933 -5.472 13.935 1.00 0.00 H new ATOM 348 P DT B 4 13.464 -2.996 21.248 1.00 0.00 P ATOM 349 OP1 DT B 4 14.899 -3.354 21.265 1.00 0.00 O ATOM 350 OP2 DT B 4 12.944 -1.970 22.180 1.00 0.00 O ATOM 351 O5' DT B 4 13.064 -2.574 19.746 1.00 0.00 O ATOM 352 C5' DT B 4 13.283 -3.477 18.686 1.00 0.00 C ATOM 353 C4' DT B 4 12.625 -3.067 17.373 1.00 0.00 C ATOM 354 O4' DT B 4 11.221 -3.139 17.497 1.00 0.00 O ATOM 355 C3' DT B 4 12.996 -1.653 16.902 1.00 0.00 C ATOM 356 O3' DT B 4 13.720 -1.743 15.689 1.00 0.00 O ATOM 357 C2' DT B 4 11.622 -0.997 16.773 1.00 0.00 C ATOM 358 C1' DT B 4 10.687 -2.191 16.609 1.00 0.00 C ATOM 359 N1 DT B 4 9.303 -1.829 16.984 1.00 0.00 N ATOM 360 C2 DT B 4 8.279 -1.896 16.039 1.00 0.00 C ATOM 361 O2 DT B 4 8.470 -2.114 14.845 1.00 0.00 O ATOM 362 N3 DT B 4 6.993 -1.699 16.524 1.00 0.00 N ATOM 363 C4 DT B 4 6.655 -1.397 17.838 1.00 0.00 C ATOM 364 O4 DT B 4 5.476 -1.268 18.157 1.00 0.00 O ATOM 365 C5 DT B 4 7.792 -1.263 18.731 1.00 0.00 C ATOM 366 C7 DT B 4 7.594 -0.884 20.180 1.00 0.00 C ATOM 367 C6 DT B 4 9.048 -1.484 18.283 1.00 0.00 C ATOM 0 H5' DT B 4 12.909 -4.459 18.976 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.356 -3.579 18.526 1.00 0.00 H new ATOM 0 H4' DT B 4 12.999 -3.766 16.625 1.00 0.00 H new ATOM 0 H3' DT B 4 13.648 -1.078 17.560 1.00 0.00 H new ATOM 0 H2' DT B 4 11.372 -0.407 17.654 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.574 -0.326 15.916 1.00 0.00 H new ATOM 0 H1' DT B 4 10.628 -2.555 15.583 1.00 0.00 H new ATOM 0 H3 DT B 4 6.227 -1.784 15.856 1.00 0.00 H new ATOM 0 H71 DT B 4 8.387 -1.327 20.783 1.00 0.00 H new ATOM 0 H72 DT B 4 7.625 0.201 20.280 1.00 0.00 H new ATOM 0 H73 DT B 4 6.628 -1.253 20.524 1.00 0.00 H new ATOM 0 H6 DT B 4 9.875 -1.385 18.971 1.00 0.00 H new ATOM 380 P DA B 5 14.230 -0.441 14.886 1.00 0.00 P ATOM 381 OP1 DA B 5 15.438 -0.813 14.116 1.00 0.00 O ATOM 382 OP2 DA B 5 14.273 0.709 15.817 1.00 0.00 O ATOM 383 O5' DA B 5 13.020 -0.209 13.850 1.00 0.00 O ATOM 384 C5' DA B 5 12.735 -1.157 12.839 1.00 0.00 C ATOM 385 C4' DA B 5 11.585 -0.662 11.962 1.00 0.00 C ATOM 386 O4' DA B 5 10.381 -0.597 12.709 1.00 0.00 O ATOM 387 C3' DA B 5 11.860 0.732 11.376 1.00 0.00 C ATOM 388 O3' DA B 5 11.782 0.635 9.965 1.00 0.00 O ATOM 389 C2' DA B 5 10.768 1.577 12.039 1.00 0.00 C ATOM 390 C1' DA B 5 9.663 0.544 12.288 1.00 0.00 C ATOM 391 N9 DA B 5 8.726 0.956 13.355 1.00 0.00 N ATOM 392 C8 DA B 5 9.069 1.359 14.612 1.00 0.00 C ATOM 393 N7 DA B 5 8.085 1.416 15.462 1.00 0.00 N ATOM 394 C5 DA B 5 6.984 1.072 14.689 1.00 0.00 C ATOM 395 C6 DA B 5 5.613 0.942 14.991 1.00 0.00 C ATOM 396 N6 DA B 5 5.140 1.056 16.235 1.00 0.00 N ATOM 397 N1 DA B 5 4.758 0.667 13.988 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.501 12.759 1.00 0.00 C ATOM 399 N3 DA B 5 6.511 0.539 12.356 1.00 0.00 N ATOM 400 C4 DA B 5 7.352 0.838 13.385 1.00 0.00 C ATOM 0 H5' DA B 5 12.472 -2.114 13.291 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.622 -1.326 12.228 1.00 0.00 H new ATOM 0 H4' DA B 5 11.491 -1.377 11.145 1.00 0.00 H new ATOM 0 H3' DA B 5 12.840 1.171 11.564 1.00 0.00 H new ATOM 0 H2' DA B 5 11.114 2.034 12.966 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.430 2.386 11.391 1.00 0.00 H new ATOM 0 H1' DA B 5 9.047 0.394 11.401 1.00 0.00 H new ATOM 0 H8 DA B 5 10.083 1.612 14.882 1.00 0.00 H new ATOM 0 H61 DA B 5 4.141 0.955 16.412 1.00 0.00 H new ATOM 0 H62 DA B 5 5.778 1.244 17.008 1.00 0.00 H new ATOM 0 H2 DA B 5 4.510 0.311 11.988 1.00 0.00 H new ATOM 412 P DC B 6 11.944 1.906 8.987 1.00 0.00 P ATOM 413 OP1 DC B 6 12.322 1.415 7.643 1.00 0.00 O ATOM 414 OP2 DC B 6 12.771 2.930 9.663 1.00 0.00 O ATOM 415 O5' DC B 6 10.427 2.430 8.927 1.00 0.00 O ATOM 416 C5' DC B 6 9.389 1.593 8.456 1.00 0.00 C ATOM 417 C4' DC B 6 8.038 2.266 8.680 1.00 0.00 C ATOM 418 O4' DC B 6 7.812 2.345 10.070 1.00 0.00 O ATOM 419 C3' DC B 6 7.879 3.680 8.118 1.00 0.00 C ATOM 420 O3' DC B 6 7.190 3.684 6.879 1.00 0.00 O ATOM 421 C2' DC B 6 7.143 4.412 9.238 1.00 0.00 C ATOM 422 C1' DC B 6 6.833 3.332 10.258 1.00 0.00 C ATOM 423 N1 DC B 6 6.855 3.840 11.654 1.00 0.00 N ATOM 424 C2 DC B 6 5.673 3.832 12.391 1.00 0.00 C ATOM 425 O2 DC B 6 4.586 3.618 11.861 1.00 0.00 O ATOM 426 N3 DC B 6 5.743 4.068 13.729 1.00 0.00 N ATOM 427 C4 DC B 6 6.909 4.340 14.331 1.00 0.00 C ATOM 428 N4 DC B 6 6.912 4.499 15.658 1.00 0.00 N ATOM 429 C5 DC B 6 8.133 4.411 13.582 1.00 0.00 C ATOM 430 C6 DC B 6 8.048 4.160 12.254 1.00 0.00 C ATOM 0 H5' DC B 6 9.419 0.635 8.975 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.530 1.385 7.395 1.00 0.00 H new ATOM 0 H4' DC B 6 7.324 1.646 8.138 1.00 0.00 H new ATOM 0 H3' DC B 6 8.824 4.163 7.870 1.00 0.00 H new ATOM 0 H2' DC B 6 7.760 5.200 9.670 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.232 4.885 8.871 1.00 0.00 H new ATOM 0 H1' DC B 6 5.824 2.947 10.111 1.00 0.00 H new ATOM 0 H41 DC B 6 7.784 4.707 16.145 1.00 0.00 H new ATOM 0 H42 DC B 6 6.042 4.413 16.184 1.00 0.00 H new ATOM 0 H5 DC B 6 9.074 4.652 14.054 1.00 0.00 H new ATOM 0 H6 DC B 6 8.942 4.213 11.651 1.00 0.00 H new ATOM 442 P DG B 7 6.846 5.055 6.086 1.00 0.00 P ATOM 443 OP1 DG B 7 6.553 4.710 4.677 1.00 0.00 O ATOM 444 OP2 DG B 7 7.892 6.055 6.397 1.00 0.00 O ATOM 445 O5' DG B 7 5.470 5.531 6.785 1.00 0.00 O ATOM 446 C5' DG B 7 4.303 4.739 6.691 1.00 0.00 C ATOM 447 C4' DG B 7 3.119 5.316 7.469 1.00 0.00 C ATOM 448 O4' DG B 7 3.363 5.265 8.867 1.00 0.00 O ATOM 449 C3' DG B 7 2.838 6.773 7.075 1.00 0.00 C ATOM 450 O3' DG B 7 1.460 6.944 6.794 1.00 0.00 O ATOM 451 C2' DG B 7 3.312 7.501 8.324 1.00 0.00 C ATOM 452 C1' DG B 7 2.969 6.503 9.419 1.00 0.00 C ATOM 453 N9 DG B 7 3.716 6.778 10.666 1.00 0.00 N ATOM 454 C8 DG B 7 5.044 7.085 10.799 1.00 0.00 C ATOM 455 N7 DG B 7 5.463 7.140 12.032 1.00 0.00 N ATOM 456 C5 DG B 7 4.316 6.896 12.779 1.00 0.00 C ATOM 457 C6 DG B 7 4.134 6.868 14.194 1.00 0.00 C ATOM 458 O6 DG B 7 4.994 6.952 15.065 1.00 0.00 O ATOM 459 N1 DG B 7 2.798 6.726 14.557 1.00 0.00 N ATOM 460 C2 DG B 7 1.755 6.598 13.658 1.00 0.00 C ATOM 461 N2 DG B 7 0.521 6.507 14.163 1.00 0.00 N ATOM 462 N3 DG B 7 1.931 6.568 12.328 1.00 0.00 N ATOM 463 C4 DG B 7 3.229 6.727 11.952 1.00 0.00 C ATOM 0 H5' DG B 7 4.520 3.738 7.063 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.025 4.636 5.642 1.00 0.00 H new ATOM 0 H4' DG B 7 2.251 4.706 7.219 1.00 0.00 H new ATOM 0 H3' DG B 7 3.330 7.133 6.171 1.00 0.00 H new ATOM 0 H2' DG B 7 4.380 7.718 8.289 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.797 8.452 8.462 1.00 0.00 H new ATOM 0 H1' DG B 7 1.916 6.539 9.699 1.00 0.00 H new ATOM 0 H8 DG B 7 5.690 7.266 9.953 1.00 0.00 H new ATOM 0 H1 DG B 7 2.573 6.716 15.552 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.280 6.411 13.539 1.00 0.00 H new ATOM 0 H22 DG B 7 0.380 6.533 15.173 1.00 0.00 H new ATOM 475 P DC B 8 0.836 8.377 6.385 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.406 8.141 5.615 1.00 0.00 O ATOM 477 OP2 DC B 8 1.910 9.220 5.814 1.00 0.00 O ATOM 478 O5' DC B 8 0.436 8.972 7.827 1.00 0.00 O ATOM 479 C5' DC B 8 -0.665 8.451 8.542 1.00 0.00 C ATOM 480 C4' DC B 8 -0.747 9.042 9.950 1.00 0.00 C ATOM 481 O4' DC B 8 0.415 8.718 10.677 1.00 0.00 O ATOM 482 C3' DC B 8 -0.827 10.568 9.999 1.00 0.00 C ATOM 483 O3' DC B 8 -2.147 11.044 9.842 1.00 0.00 O ATOM 484 C2' DC B 8 -0.269 10.877 11.387 1.00 0.00 C ATOM 485 C1' DC B 8 0.464 9.590 11.787 1.00 0.00 C ATOM 486 N1 DC B 8 1.874 9.859 12.175 1.00 0.00 N ATOM 487 C2 DC B 8 2.215 9.881 13.528 1.00 0.00 C ATOM 488 O2 DC B 8 1.365 9.760 14.408 1.00 0.00 O ATOM 489 N3 DC B 8 3.526 10.039 13.864 1.00 0.00 N ATOM 490 C4 DC B 8 4.473 10.187 12.926 1.00 0.00 C ATOM 491 N4 DC B 8 5.747 10.284 13.319 1.00 0.00 N ATOM 492 C5 DC B 8 4.140 10.208 11.529 1.00 0.00 C ATOM 493 C6 DC B 8 2.835 10.039 11.210 1.00 0.00 C ATOM 0 H5' DC B 8 -0.579 7.366 8.606 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.587 8.666 8.001 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.663 8.619 10.363 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.280 11.053 9.190 1.00 0.00 H new ATOM 0 H2' DC B 8 0.408 11.731 11.364 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.064 11.119 12.092 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.149 12.023 9.882 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.018 9.144 12.657 1.00 0.00 H new ATOM 0 H41 DC B 8 6.487 10.397 12.626 1.00 0.00 H new ATOM 0 H42 DC B 8 5.979 10.245 14.312 1.00 0.00 H new ATOM 0 H5 DC B 8 4.894 10.352 10.769 1.00 0.00 H new ATOM 0 H6 DC B 8 2.542 10.046 10.170 1.00 0.00 H new TER 506 DC B 8