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= -0.276 (180deg=-0.276) 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 5.581 12.916 24.394 1.00 0.00 O ATOM 2 C5' DG A 1 5.324 11.542 24.592 1.00 0.00 C ATOM 3 C4' DG A 1 3.985 11.159 23.950 1.00 0.00 C ATOM 4 O4' DG A 1 4.063 11.342 22.541 1.00 0.00 O ATOM 5 C3' DG A 1 3.623 9.692 24.216 1.00 0.00 C ATOM 6 O3' DG A 1 2.216 9.544 24.306 1.00 0.00 O ATOM 7 C2' DG A 1 4.200 9.068 22.956 1.00 0.00 C ATOM 8 C1' DG A 1 3.799 10.103 21.914 1.00 0.00 C ATOM 9 N9 DG A 1 4.558 9.950 20.646 1.00 0.00 N ATOM 10 C8 DG A 1 5.921 9.935 20.442 1.00 0.00 C ATOM 11 N7 DG A 1 6.271 9.810 19.193 1.00 0.00 N ATOM 12 C5 DG A 1 5.064 9.747 18.509 1.00 0.00 C ATOM 13 C6 DG A 1 4.812 9.642 17.108 1.00 0.00 C ATOM 14 O6 DG A 1 5.634 9.577 16.197 1.00 0.00 O ATOM 15 N1 DG A 1 3.451 9.618 16.813 1.00 0.00 N ATOM 16 C2 DG A 1 2.446 9.702 17.760 1.00 0.00 C ATOM 17 N2 DG A 1 1.184 9.655 17.323 1.00 0.00 N ATOM 18 N3 DG A 1 2.684 9.820 19.077 1.00 0.00 N ATOM 19 C4 DG A 1 4.010 9.837 19.387 1.00 0.00 C ATOM 0 H5' DG A 1 5.302 11.318 25.659 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.128 10.947 24.158 1.00 0.00 H new ATOM 0 H4' DG A 1 3.220 11.798 24.390 1.00 0.00 H new ATOM 0 H3' DG A 1 3.995 9.256 25.143 1.00 0.00 H new ATOM 0 H2' DG A 1 5.281 8.940 23.016 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.774 8.086 22.749 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.437 13.152 24.809 1.00 0.00 H new ATOM 0 H1' DG A 1 2.756 10.001 21.616 1.00 0.00 H new ATOM 0 H8 DG A 1 6.636 10.019 21.247 1.00 0.00 H new ATOM 0 H1 DG A 1 3.177 9.533 15.834 1.00 0.00 H new ATOM 0 H21 DG A 1 0.412 9.714 17.987 1.00 0.00 H new ATOM 0 H22 DG A 1 0.993 9.561 16.326 1.00 0.00 H new ATOM 32 P DC A 2 1.508 8.110 24.552 1.00 0.00 P ATOM 33 OP1 DC A 2 0.468 8.286 25.590 1.00 0.00 O ATOM 34 OP2 DC A 2 2.558 7.083 24.736 1.00 0.00 O ATOM 35 O5' DC A 2 0.778 7.834 23.137 1.00 0.00 O ATOM 36 C5' DC A 2 -0.343 8.601 22.742 1.00 0.00 C ATOM 37 C4' DC A 2 -1.104 8.056 21.535 1.00 0.00 C ATOM 38 O4' DC A 2 -0.341 8.160 20.346 1.00 0.00 O ATOM 39 C3' DC A 2 -1.466 6.590 21.774 1.00 0.00 C ATOM 40 O3' DC A 2 -2.780 6.349 21.298 1.00 0.00 O ATOM 41 C2' DC A 2 -0.367 5.914 20.990 1.00 0.00 C ATOM 42 C1' DC A 2 -0.167 6.864 19.812 1.00 0.00 C ATOM 43 N1 DC A 2 1.202 6.735 19.267 1.00 0.00 N ATOM 44 C2 DC A 2 1.414 6.521 17.903 1.00 0.00 C ATOM 45 O2 DC A 2 0.482 6.495 17.103 1.00 0.00 O ATOM 46 N3 DC A 2 2.698 6.340 17.472 1.00 0.00 N ATOM 47 C4 DC A 2 3.728 6.341 18.333 1.00 0.00 C ATOM 48 N4 DC A 2 4.970 6.203 17.859 1.00 0.00 N ATOM 49 C5 DC A 2 3.516 6.582 19.731 1.00 0.00 C ATOM 50 C6 DC A 2 2.257 6.801 20.132 1.00 0.00 C ATOM 0 H5' DC A 2 -0.010 9.614 22.516 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.031 8.672 23.585 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.008 8.653 21.414 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.505 6.242 22.806 1.00 0.00 H new ATOM 0 H2' DC A 2 0.543 5.803 21.580 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.658 4.916 20.661 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.863 6.648 19.002 1.00 0.00 H new ATOM 0 H41 DC A 2 5.763 6.202 18.500 1.00 0.00 H new ATOM 0 H42 DC A 2 5.124 6.099 16.856 1.00 0.00 H new ATOM 0 H5 DC A 2 4.338 6.587 20.432 1.00 0.00 H new ATOM 0 H6 DC A 2 2.071 7.037 21.169 1.00 0.00 H new ATOM 62 P DG A 3 -3.405 4.869 21.132 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.868 4.961 21.332 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.611 3.914 21.937 1.00 0.00 O ATOM 65 O5' DG A 3 -3.122 4.588 19.566 1.00 0.00 O ATOM 66 C5' DG A 3 -3.779 5.364 18.580 1.00 0.00 C ATOM 67 C4' DG A 3 -3.565 4.857 17.164 1.00 0.00 C ATOM 68 O4' DG A 3 -2.200 4.899 16.789 1.00 0.00 O ATOM 69 C3' DG A 3 -4.097 3.426 17.082 1.00 0.00 C ATOM 70 O3' DG A 3 -5.117 3.329 16.103 1.00 0.00 O ATOM 71 C2' DG A 3 -2.821 2.666 16.776 1.00 0.00 C ATOM 72 C1' DG A 3 -1.862 3.679 16.167 1.00 0.00 C ATOM 73 N9 DG A 3 -0.445 3.381 16.471 1.00 0.00 N ATOM 74 C8 DG A 3 0.145 3.247 17.701 1.00 0.00 C ATOM 75 N7 DG A 3 1.447 3.274 17.682 1.00 0.00 N ATOM 76 C5 DG A 3 1.747 3.407 16.332 1.00 0.00 C ATOM 77 C6 DG A 3 3.009 3.549 15.686 1.00 0.00 C ATOM 78 O6 DG A 3 4.109 3.702 16.210 1.00 0.00 O ATOM 79 N1 DG A 3 2.898 3.499 14.299 1.00 0.00 N ATOM 80 C2 DG A 3 1.701 3.423 13.611 1.00 0.00 C ATOM 81 N2 DG A 3 1.755 3.395 12.276 1.00 0.00 N ATOM 82 N3 DG A 3 0.506 3.409 14.221 1.00 0.00 N ATOM 83 C4 DG A 3 0.598 3.393 15.578 1.00 0.00 C ATOM 0 H5' DG A 3 -3.427 6.393 18.645 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.848 5.379 18.794 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.102 5.504 16.470 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.595 3.038 17.971 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.402 2.228 17.682 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.012 1.846 16.084 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.953 3.681 15.081 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.423 3.129 18.612 1.00 0.00 H new ATOM 0 H1 DG A 3 3.759 3.520 13.753 1.00 0.00 H new ATOM 0 H21 DG A 3 0.894 3.339 11.732 1.00 0.00 H new ATOM 0 H22 DG A 3 2.657 3.429 11.801 1.00 0.00 H new ATOM 95 P DT A 4 -5.846 1.928 15.743 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.087 2.228 14.995 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.897 1.086 16.958 1.00 0.00 O ATOM 98 O5' DT A 4 -4.778 1.289 14.720 1.00 0.00 O ATOM 99 C5' DT A 4 -4.408 2.002 13.562 1.00 0.00 C ATOM 100 C4' DT A 4 -3.208 1.415 12.826 1.00 0.00 C ATOM 101 O4' DT A 4 -2.045 1.562 13.611 1.00 0.00 O ATOM 102 C3' DT A 4 -3.361 -0.070 12.465 1.00 0.00 C ATOM 103 O3' DT A 4 -3.397 -0.203 11.056 1.00 0.00 O ATOM 104 C2' DT A 4 -2.128 -0.681 13.129 1.00 0.00 C ATOM 105 C1' DT A 4 -1.184 0.509 13.259 1.00 0.00 C ATOM 106 N1 DT A 4 -0.179 0.266 14.317 1.00 0.00 N ATOM 107 C2 DT A 4 1.178 0.220 13.998 1.00 0.00 C ATOM 108 O2 DT A 4 1.606 0.238 12.846 1.00 0.00 O ATOM 109 N3 DT A 4 2.052 0.151 15.075 1.00 0.00 N ATOM 110 C4 DT A 4 1.689 0.075 16.414 1.00 0.00 C ATOM 111 O4 DT A 4 2.554 0.041 17.285 1.00 0.00 O ATOM 112 C5 DT A 4 0.255 0.044 16.644 1.00 0.00 C ATOM 113 C7 DT A 4 -0.300 -0.090 18.042 1.00 0.00 C ATOM 114 C6 DT A 4 -0.609 0.143 15.609 1.00 0.00 C ATOM 0 H5' DT A 4 -4.183 3.032 13.839 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.258 2.034 12.881 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.136 1.971 11.891 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.274 -0.560 12.802 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.366 -1.115 14.100 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.695 -1.476 12.522 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.614 0.710 12.352 1.00 0.00 H new ATOM 0 H3 DT A 4 3.050 0.157 14.864 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.265 0.414 18.100 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.427 -1.145 18.284 1.00 0.00 H new ATOM 0 H73 DT A 4 0.390 0.364 18.753 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.670 0.124 15.809 1.00 0.00 H new ATOM 127 P DA A 5 -3.504 -1.635 10.323 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.161 -1.439 9.012 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.048 -2.623 11.282 1.00 0.00 O ATOM 130 O5' DA A 5 -1.953 -1.979 10.067 1.00 0.00 O ATOM 131 C5' DA A 5 -1.168 -1.193 9.192 1.00 0.00 C ATOM 132 C4' DA A 5 0.242 -1.775 9.083 1.00 0.00 C ATOM 133 O4' DA A 5 0.922 -1.672 10.323 1.00 0.00 O ATOM 134 C3' DA A 5 0.229 -3.254 8.666 1.00 0.00 C ATOM 135 O3' DA A 5 0.987 -3.378 7.477 1.00 0.00 O ATOM 136 C2' DA A 5 0.822 -3.938 9.902 1.00 0.00 C ATOM 137 C1' DA A 5 1.707 -2.834 10.492 1.00 0.00 C ATOM 138 N9 DA A 5 1.986 -3.034 11.930 1.00 0.00 N ATOM 139 C8 DA A 5 1.056 -3.245 12.905 1.00 0.00 C ATOM 140 N7 DA A 5 1.497 -3.129 14.124 1.00 0.00 N ATOM 141 C5 DA A 5 2.850 -2.869 13.944 1.00 0.00 C ATOM 142 C6 DA A 5 3.903 -2.639 14.852 1.00 0.00 C ATOM 143 N6 DA A 5 3.704 -2.537 16.169 1.00 0.00 N ATOM 144 N1 DA A 5 5.150 -2.492 14.365 1.00 0.00 N ATOM 145 C2 DA A 5 5.334 -2.540 13.048 1.00 0.00 C ATOM 146 N3 DA A 5 4.422 -2.692 12.088 1.00 0.00 N ATOM 147 C4 DA A 5 3.174 -2.858 12.608 1.00 0.00 C ATOM 0 H5' DA A 5 -1.119 -0.167 9.558 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.632 -1.158 8.207 1.00 0.00 H new ATOM 0 H4' DA A 5 0.755 -1.196 8.316 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.736 -3.698 8.419 1.00 0.00 H new ATOM 0 H2' DA A 5 0.049 -4.257 10.601 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.399 -4.825 9.639 1.00 0.00 H new ATOM 0 H1' DA A 5 2.683 -2.800 10.008 1.00 0.00 H new ATOM 0 H8 DA A 5 0.028 -3.491 12.682 1.00 0.00 H new ATOM 0 H61 DA A 5 4.494 -2.370 16.793 1.00 0.00 H new ATOM 0 H62 DA A 5 2.762 -2.626 16.551 1.00 0.00 H new ATOM 0 H2 DA A 5 6.356 -2.443 12.713 1.00 0.00 H new ATOM 159 P DC A 6 1.269 -4.794 6.759 1.00 0.00 P ATOM 160 OP1 DC A 6 1.613 -4.538 5.343 1.00 0.00 O ATOM 161 OP2 DC A 6 0.176 -5.732 7.099 1.00 0.00 O ATOM 162 O5' DC A 6 2.600 -5.256 7.529 1.00 0.00 O ATOM 163 C5' DC A 6 3.769 -4.461 7.497 1.00 0.00 C ATOM 164 C4' DC A 6 4.811 -5.034 8.453 1.00 0.00 C ATOM 165 O4' DC A 6 4.329 -4.885 9.769 1.00 0.00 O ATOM 166 C3' DC A 6 5.165 -6.512 8.270 1.00 0.00 C ATOM 167 O3' DC A 6 6.369 -6.681 7.540 1.00 0.00 O ATOM 168 C2' DC A 6 5.234 -7.027 9.705 1.00 0.00 C ATOM 169 C1' DC A 6 5.052 -5.787 10.563 1.00 0.00 C ATOM 170 N1 DC A 6 4.333 -6.070 11.832 1.00 0.00 N ATOM 171 C2 DC A 6 5.007 -5.900 13.038 1.00 0.00 C ATOM 172 O2 DC A 6 6.222 -5.729 13.078 1.00 0.00 O ATOM 173 N3 DC A 6 4.286 -5.926 14.192 1.00 0.00 N ATOM 174 C4 DC A 6 2.964 -6.145 14.186 1.00 0.00 C ATOM 175 N4 DC A 6 2.310 -6.095 15.350 1.00 0.00 N ATOM 176 C5 DC A 6 2.257 -6.381 12.957 1.00 0.00 C ATOM 177 C6 DC A 6 2.986 -6.339 11.818 1.00 0.00 C ATOM 0 H5' DC A 6 3.530 -3.435 7.778 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.170 -4.429 6.484 1.00 0.00 H new ATOM 0 H4' DC A 6 5.723 -4.477 8.237 1.00 0.00 H new ATOM 0 H3' DC A 6 4.441 -7.068 7.675 1.00 0.00 H new ATOM 0 H2' DC A 6 4.454 -7.763 9.901 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.189 -7.513 9.907 1.00 0.00 H new ATOM 0 H1' DC A 6 6.019 -5.387 10.868 1.00 0.00 H new ATOM 0 H41 DC A 6 1.303 -6.257 15.377 1.00 0.00 H new ATOM 0 H42 DC A 6 2.817 -5.894 16.212 1.00 0.00 H new ATOM 0 H5 DC A 6 1.196 -6.582 12.943 1.00 0.00 H new ATOM 0 H6 DC A 6 2.496 -6.522 10.873 1.00 0.00 H new ATOM 189 P DG A 7 6.999 -8.144 7.241 1.00 0.00 P ATOM 190 OP1 DG A 7 7.954 -8.013 6.119 1.00 0.00 O ATOM 191 OP2 DG A 7 5.894 -9.126 7.157 1.00 0.00 O ATOM 192 O5' DG A 7 7.841 -8.447 8.587 1.00 0.00 O ATOM 193 C5' DG A 7 8.935 -7.630 8.950 1.00 0.00 C ATOM 194 C4' DG A 7 9.569 -8.030 10.283 1.00 0.00 C ATOM 195 O4' DG A 7 8.681 -7.772 11.360 1.00 0.00 O ATOM 196 C3' DG A 7 9.947 -9.518 10.307 1.00 0.00 C ATOM 197 O3' DG A 7 11.280 -9.675 10.760 1.00 0.00 O ATOM 198 C2' DG A 7 8.897 -10.062 11.265 1.00 0.00 C ATOM 199 C1' DG A 7 8.707 -8.892 12.218 1.00 0.00 C ATOM 200 N9 DG A 7 7.439 -8.999 12.973 1.00 0.00 N ATOM 201 C8 DG A 7 6.201 -9.332 12.492 1.00 0.00 C ATOM 202 N7 DG A 7 5.235 -9.208 13.357 1.00 0.00 N ATOM 203 C5 DG A 7 5.886 -8.806 14.518 1.00 0.00 C ATOM 204 C6 DG A 7 5.360 -8.547 15.819 1.00 0.00 C ATOM 205 O6 DG A 7 4.183 -8.524 16.165 1.00 0.00 O ATOM 206 N1 DG A 7 6.359 -8.300 16.758 1.00 0.00 N ATOM 207 C2 DG A 7 7.711 -8.276 16.471 1.00 0.00 C ATOM 208 N2 DG A 7 8.549 -8.061 17.489 1.00 0.00 N ATOM 209 N3 DG A 7 8.203 -8.462 15.235 1.00 0.00 N ATOM 210 C4 DG A 7 7.243 -8.728 14.308 1.00 0.00 C ATOM 0 H5' DG A 7 8.602 -6.594 9.010 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.691 -7.677 8.167 1.00 0.00 H new ATOM 0 H4' DG A 7 10.473 -7.431 10.394 1.00 0.00 H new ATOM 0 H3' DG A 7 9.942 -10.033 9.346 1.00 0.00 H new ATOM 0 H2' DG A 7 7.972 -10.325 10.751 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.240 -10.958 11.782 1.00 0.00 H new ATOM 0 H1' DG A 7 9.490 -8.842 12.974 1.00 0.00 H new ATOM 0 H8 DG A 7 6.039 -9.670 11.479 1.00 0.00 H new ATOM 0 H1 DG A 7 6.074 -8.125 17.722 1.00 0.00 H new ATOM 0 H21 DG A 7 9.555 -8.035 17.324 1.00 0.00 H new ATOM 0 H22 DG A 7 8.182 -7.923 18.431 1.00 0.00 H new ATOM 222 P DC A 8 11.965 -11.127 10.932 1.00 0.00 P ATOM 223 OP1 DC A 8 13.433 -10.964 10.836 1.00 0.00 O ATOM 224 OP2 DC A 8 11.271 -12.091 10.050 1.00 0.00 O ATOM 225 O5' DC A 8 11.591 -11.477 12.459 1.00 0.00 O ATOM 226 C5' DC A 8 12.229 -10.809 13.528 1.00 0.00 C ATOM 227 C4' DC A 8 11.592 -11.171 14.871 1.00 0.00 C ATOM 228 O4' DC A 8 10.239 -10.782 14.884 1.00 0.00 O ATOM 229 C3' DC A 8 11.575 -12.666 15.187 1.00 0.00 C ATOM 230 O3' DC A 8 12.783 -13.107 15.769 1.00 0.00 O ATOM 231 C2' DC A 8 10.401 -12.776 16.159 1.00 0.00 C ATOM 232 C1' DC A 8 9.622 -11.472 15.950 1.00 0.00 C ATOM 233 N1 DC A 8 8.190 -11.731 15.642 1.00 0.00 N ATOM 234 C2 DC A 8 7.235 -11.554 16.644 1.00 0.00 C ATOM 235 O2 DC A 8 7.556 -11.264 17.794 1.00 0.00 O ATOM 236 N3 DC A 8 5.920 -11.709 16.322 1.00 0.00 N ATOM 237 C4 DC A 8 5.541 -12.038 15.078 1.00 0.00 C ATOM 238 N4 DC A 8 4.234 -12.122 14.813 1.00 0.00 N ATOM 239 C5 DC A 8 6.509 -12.266 14.041 1.00 0.00 C ATOM 240 C6 DC A 8 7.810 -12.098 14.372 1.00 0.00 C ATOM 0 H5' DC A 8 12.169 -9.732 13.374 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.287 -11.070 13.543 1.00 0.00 H new ATOM 0 H4' DC A 8 12.209 -10.654 15.606 1.00 0.00 H new ATOM 0 H3' DC A 8 11.471 -13.292 14.300 1.00 0.00 H new ATOM 0 H2' DC A 8 9.784 -13.648 15.943 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.744 -12.875 17.189 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.725 -14.067 15.955 1.00 0.00 H new ATOM 0 H1' DC A 8 9.641 -10.879 16.864 1.00 0.00 H new ATOM 0 H41 DC A 8 3.919 -12.370 13.875 1.00 0.00 H new ATOM 0 H42 DC A 8 3.552 -11.938 15.548 1.00 0.00 H new ATOM 0 H5 DC A 8 6.212 -12.558 13.044 1.00 0.00 H new ATOM 0 H6 DC A 8 8.569 -12.256 13.620 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.684 -11.146 24.165 1.00 0.00 O ATOM 255 C5' DG B 1 -0.857 -11.755 25.134 1.00 0.00 C ATOM 256 C4' DG B 1 0.605 -11.330 24.957 1.00 0.00 C ATOM 257 O4' DG B 1 1.074 -11.730 23.676 1.00 0.00 O ATOM 258 C3' DG B 1 0.829 -9.819 25.112 1.00 0.00 C ATOM 259 O3' DG B 1 2.007 -9.578 25.864 1.00 0.00 O ATOM 260 C2' DG B 1 0.982 -9.431 23.650 1.00 0.00 C ATOM 261 C1' DG B 1 1.741 -10.629 23.099 1.00 0.00 C ATOM 262 N9 DG B 1 1.705 -10.676 21.614 1.00 0.00 N ATOM 263 C8 DG B 1 0.616 -10.738 20.771 1.00 0.00 C ATOM 264 N7 DG B 1 0.925 -10.800 19.507 1.00 0.00 N ATOM 265 C5 DG B 1 2.313 -10.789 19.498 1.00 0.00 C ATOM 266 C6 DG B 1 3.221 -10.873 18.399 1.00 0.00 C ATOM 267 O6 DG B 1 2.951 -10.969 17.204 1.00 0.00 O ATOM 268 N1 DG B 1 4.553 -10.837 18.805 1.00 0.00 N ATOM 269 C2 DG B 1 4.964 -10.747 20.123 1.00 0.00 C ATOM 270 N2 DG B 1 6.280 -10.712 20.355 1.00 0.00 N ATOM 271 N3 DG B 1 4.110 -10.689 21.158 1.00 0.00 N ATOM 272 C4 DG B 1 2.802 -10.715 20.781 1.00 0.00 C ATOM 0 H5' DG B 1 -0.936 -12.839 25.054 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.200 -11.483 26.132 1.00 0.00 H new ATOM 0 H4' DG B 1 1.161 -11.825 25.753 1.00 0.00 H new ATOM 0 H3' DG B 1 0.052 -9.266 25.639 1.00 0.00 H new ATOM 0 H2' DG B 1 0.019 -9.294 23.159 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.538 -8.501 23.528 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.611 -11.434 24.298 1.00 0.00 H new ATOM 0 H1' DG B 1 2.803 -10.603 23.342 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.404 -10.735 21.127 1.00 0.00 H new ATOM 0 H1 DG B 1 5.273 -10.880 18.083 1.00 0.00 H new ATOM 0 H21 DG B 1 6.628 -10.646 21.312 1.00 0.00 H new ATOM 0 H22 DG B 1 6.936 -10.751 19.575 1.00 0.00 H new ATOM 285 P DC B 2 2.549 -8.087 26.180 1.00 0.00 P ATOM 286 OP1 DC B 2 2.946 -8.037 27.604 1.00 0.00 O ATOM 287 OP2 DC B 2 1.576 -7.101 25.657 1.00 0.00 O ATOM 288 O5' DC B 2 3.885 -8.002 25.274 1.00 0.00 O ATOM 289 C5' DC B 2 5.027 -8.770 25.600 1.00 0.00 C ATOM 290 C4' DC B 2 6.299 -8.387 24.847 1.00 0.00 C ATOM 291 O4' DC B 2 6.209 -8.709 23.470 1.00 0.00 O ATOM 292 C3' DC B 2 6.554 -6.886 24.997 1.00 0.00 C ATOM 293 O3' DC B 2 7.941 -6.666 25.190 1.00 0.00 O ATOM 294 C2' DC B 2 6.002 -6.392 23.682 1.00 0.00 C ATOM 295 C1' DC B 2 6.367 -7.521 22.722 1.00 0.00 C ATOM 296 N1 DC B 2 5.443 -7.539 21.567 1.00 0.00 N ATOM 297 C2 DC B 2 5.930 -7.538 20.258 1.00 0.00 C ATOM 298 O2 DC B 2 7.134 -7.593 20.019 1.00 0.00 O ATOM 299 N3 DC B 2 5.026 -7.477 19.235 1.00 0.00 N ATOM 300 C4 DC B 2 3.708 -7.393 19.475 1.00 0.00 C ATOM 301 N4 DC B 2 2.861 -7.376 18.442 1.00 0.00 N ATOM 302 C5 DC B 2 3.203 -7.416 20.817 1.00 0.00 C ATOM 303 C6 DC B 2 4.099 -7.520 21.808 1.00 0.00 C ATOM 0 H5' DC B 2 4.809 -9.820 25.403 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.215 -8.678 26.670 1.00 0.00 H new ATOM 0 H4' DC B 2 7.124 -8.955 25.277 1.00 0.00 H new ATOM 0 H3' DC B 2 6.099 -6.377 25.847 1.00 0.00 H new ATOM 0 H2' DC B 2 4.925 -6.232 23.729 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.452 -5.445 23.384 1.00 0.00 H new ATOM 0 H1' DC B 2 7.378 -7.404 22.331 1.00 0.00 H new ATOM 0 H41 DC B 2 1.856 -7.313 18.607 1.00 0.00 H new ATOM 0 H42 DC B 2 3.219 -7.426 17.488 1.00 0.00 H new ATOM 0 H5 DC B 2 2.144 -7.352 21.021 1.00 0.00 H new ATOM 0 H6 DC B 2 3.748 -7.591 22.827 1.00 0.00 H new ATOM 315 P DG B 3 8.624 -5.203 25.117 1.00 0.00 P ATOM 316 OP1 DG B 3 9.799 -5.198 26.017 1.00 0.00 O ATOM 317 OP2 DG B 3 7.575 -4.170 25.271 1.00 0.00 O ATOM 318 O5' DG B 3 9.152 -5.184 23.590 1.00 0.00 O ATOM 319 C5' DG B 3 10.173 -6.078 23.186 1.00 0.00 C ATOM 320 C4' DG B 3 10.699 -5.807 21.787 1.00 0.00 C ATOM 321 O4' DG B 3 9.691 -5.962 20.805 1.00 0.00 O ATOM 322 C3' DG B 3 11.263 -4.387 21.754 1.00 0.00 C ATOM 323 O3' DG B 3 12.633 -4.402 21.392 1.00 0.00 O ATOM 324 C2' DG B 3 10.329 -3.734 20.753 1.00 0.00 C ATOM 325 C1' DG B 3 9.747 -4.865 19.918 1.00 0.00 C ATOM 326 N9 DG B 3 8.375 -4.581 19.444 1.00 0.00 N ATOM 327 C8 DG B 3 7.267 -4.283 20.194 1.00 0.00 C ATOM 328 N7 DG B 3 6.139 -4.366 19.548 1.00 0.00 N ATOM 329 C5 DG B 3 6.528 -4.717 18.262 1.00 0.00 C ATOM 330 C6 DG B 3 5.736 -5.006 17.114 1.00 0.00 C ATOM 331 O6 DG B 3 4.515 -5.122 17.052 1.00 0.00 O ATOM 332 N1 DG B 3 6.511 -5.164 15.967 1.00 0.00 N ATOM 333 C2 DG B 3 7.894 -5.148 15.947 1.00 0.00 C ATOM 334 N2 DG B 3 8.498 -5.326 14.768 1.00 0.00 N ATOM 335 N3 DG B 3 8.639 -4.993 17.051 1.00 0.00 N ATOM 336 C4 DG B 3 7.899 -4.772 18.170 1.00 0.00 C ATOM 0 H5' DG B 3 9.790 -7.098 23.230 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.999 -6.017 23.894 1.00 0.00 H new ATOM 0 H4' DG B 3 11.479 -6.532 21.554 1.00 0.00 H new ATOM 0 H3' DG B 3 11.282 -3.847 22.701 1.00 0.00 H new ATOM 0 H2' DG B 3 9.540 -3.179 21.261 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.866 -3.023 20.125 1.00 0.00 H new ATOM 0 H1' DG B 3 10.355 -5.029 19.028 1.00 0.00 H new ATOM 0 H8 DG B 3 7.325 -4.002 21.235 1.00 0.00 H new ATOM 0 H1 DG B 3 6.025 -5.301 15.081 1.00 0.00 H new ATOM 0 H21 DG B 3 9.516 -5.321 14.711 1.00 0.00 H new ATOM 0 H22 DG B 3 7.940 -5.467 13.926 1.00 0.00 H new ATOM 348 P DT B 4 13.502 -3.046 21.222 1.00 0.00 P ATOM 349 OP1 DT B 4 14.936 -3.409 21.227 1.00 0.00 O ATOM 350 OP2 DT B 4 12.991 -2.025 22.163 1.00 0.00 O ATOM 351 O5' DT B 4 13.093 -2.614 19.725 1.00 0.00 O ATOM 352 C5' DT B 4 13.304 -3.511 18.658 1.00 0.00 C ATOM 353 C4' DT B 4 12.640 -3.092 17.351 1.00 0.00 C ATOM 354 O4' DT B 4 11.236 -3.163 17.482 1.00 0.00 O ATOM 355 C3' DT B 4 13.010 -1.676 16.887 1.00 0.00 C ATOM 356 O3' DT B 4 13.733 -1.761 15.673 1.00 0.00 O ATOM 357 C2' DT B 4 11.636 -1.019 16.763 1.00 0.00 C ATOM 358 C1' DT B 4 10.700 -2.212 16.598 1.00 0.00 C ATOM 359 N1 DT B 4 9.318 -1.849 16.980 1.00 0.00 N ATOM 360 C2 DT B 4 8.291 -1.906 16.037 1.00 0.00 C ATOM 361 O2 DT B 4 8.478 -2.117 14.841 1.00 0.00 O ATOM 362 N3 DT B 4 7.007 -1.707 16.527 1.00 0.00 N ATOM 363 C4 DT B 4 6.674 -1.412 17.844 1.00 0.00 C ATOM 364 O4 DT B 4 5.497 -1.279 18.166 1.00 0.00 O ATOM 365 C5 DT B 4 7.815 -1.289 18.735 1.00 0.00 C ATOM 366 C7 DT B 4 7.622 -0.918 20.187 1.00 0.00 C ATOM 367 C6 DT B 4 9.068 -1.512 18.282 1.00 0.00 C ATOM 0 H5' DT B 4 12.930 -4.494 18.944 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.376 -3.615 18.491 1.00 0.00 H new ATOM 0 H4' DT B 4 13.010 -3.787 16.597 1.00 0.00 H new ATOM 0 H3' DT B 4 13.662 -1.104 17.547 1.00 0.00 H new ATOM 0 H2' DT B 4 11.388 -0.431 17.647 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.586 -0.345 15.908 1.00 0.00 H new ATOM 0 H1' DT B 4 10.637 -2.573 15.572 1.00 0.00 H new ATOM 0 H3 DT B 4 6.239 -1.784 15.860 1.00 0.00 H new ATOM 0 H71 DT B 4 8.414 -1.368 20.786 1.00 0.00 H new ATOM 0 H72 DT B 4 7.658 0.166 20.293 1.00 0.00 H new ATOM 0 H73 DT B 4 6.655 -1.284 20.531 1.00 0.00 H new ATOM 0 H6 DT B 4 9.897 -1.422 18.968 1.00 0.00 H new ATOM 380 P DA B 5 14.242 -0.455 14.875 1.00 0.00 P ATOM 381 OP1 DA B 5 15.446 -0.825 14.098 1.00 0.00 O ATOM 382 OP2 DA B 5 14.292 0.689 15.812 1.00 0.00 O ATOM 383 O5' DA B 5 13.028 -0.215 13.846 1.00 0.00 O ATOM 384 C5' DA B 5 12.736 -1.158 12.832 1.00 0.00 C ATOM 385 C4' DA B 5 11.583 -0.655 11.963 1.00 0.00 C ATOM 386 O4' DA B 5 10.382 -0.593 12.714 1.00 0.00 O ATOM 387 C3' DA B 5 11.858 0.741 11.384 1.00 0.00 C ATOM 388 O3' DA B 5 11.782 0.650 9.972 1.00 0.00 O ATOM 389 C2' DA B 5 10.766 1.583 12.051 1.00 0.00 C ATOM 390 C1' DA B 5 9.662 0.549 12.297 1.00 0.00 C ATOM 391 N9 DA B 5 8.726 0.956 13.367 1.00 0.00 N ATOM 392 C8 DA B 5 9.071 1.352 14.625 1.00 0.00 C ATOM 393 N7 DA B 5 8.087 1.407 15.477 1.00 0.00 N ATOM 394 C5 DA B 5 6.985 1.069 14.703 1.00 0.00 C ATOM 395 C6 DA B 5 5.614 0.939 15.005 1.00 0.00 C ATOM 396 N6 DA B 5 5.142 1.048 16.251 1.00 0.00 N ATOM 397 N1 DA B 5 4.757 0.670 14.002 1.00 0.00 N ATOM 398 C2 DA B 5 5.240 0.509 12.772 1.00 0.00 C ATOM 399 N3 DA B 5 6.510 0.548 12.367 1.00 0.00 N ATOM 400 C4 DA B 5 7.352 0.840 13.397 1.00 0.00 C ATOM 0 H5' DA B 5 12.473 -2.116 13.280 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.619 -1.326 12.216 1.00 0.00 H new ATOM 0 H4' DA B 5 11.485 -1.365 11.142 1.00 0.00 H new ATOM 0 H3' DA B 5 12.838 1.180 11.575 1.00 0.00 H new ATOM 0 H2' DA B 5 11.112 2.037 12.979 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.427 2.394 11.407 1.00 0.00 H new ATOM 0 H1' DA B 5 9.045 0.403 11.410 1.00 0.00 H new ATOM 0 H8 DA B 5 10.086 1.602 14.896 1.00 0.00 H new ATOM 0 H61 DA B 5 4.143 0.947 16.428 1.00 0.00 H new ATOM 0 H62 DA B 5 5.781 1.232 17.024 1.00 0.00 H new ATOM 0 H2 DA B 5 4.507 0.322 12.001 1.00 0.00 H new ATOM 412 P DC B 6 11.944 1.926 9.001 1.00 0.00 P ATOM 413 OP1 DC B 6 12.324 1.442 7.655 1.00 0.00 O ATOM 414 OP2 DC B 6 12.769 2.949 9.682 1.00 0.00 O ATOM 415 O5' DC B 6 10.426 2.447 8.942 1.00 0.00 O ATOM 416 C5' DC B 6 9.390 1.610 8.467 1.00 0.00 C ATOM 417 C4' DC B 6 8.038 2.280 8.692 1.00 0.00 C ATOM 418 O4' DC B 6 7.811 2.356 10.081 1.00 0.00 O ATOM 419 C3' DC B 6 7.879 3.696 8.133 1.00 0.00 C ATOM 420 O3' DC B 6 7.191 3.702 6.892 1.00 0.00 O ATOM 421 C2' DC B 6 7.140 4.424 9.253 1.00 0.00 C ATOM 422 C1' DC B 6 6.830 3.341 10.271 1.00 0.00 C ATOM 423 N1 DC B 6 6.850 3.846 11.667 1.00 0.00 N ATOM 424 C2 DC B 6 5.668 3.837 12.403 1.00 0.00 C ATOM 425 O2 DC B 6 4.581 3.625 11.871 1.00 0.00 O ATOM 426 N3 DC B 6 5.735 4.068 13.741 1.00 0.00 N ATOM 427 C4 DC B 6 6.900 4.336 14.347 1.00 0.00 C ATOM 428 N4 DC B 6 6.901 4.491 15.674 1.00 0.00 N ATOM 429 C5 DC B 6 8.125 4.409 13.599 1.00 0.00 C ATOM 430 C6 DC B 6 8.042 4.163 12.271 1.00 0.00 C ATOM 0 H5' DC B 6 9.421 0.650 8.983 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.533 1.406 7.406 1.00 0.00 H new ATOM 0 H4' DC B 6 7.325 1.660 8.149 1.00 0.00 H new ATOM 0 H3' DC B 6 8.824 4.181 7.888 1.00 0.00 H new ATOM 0 H2' DC B 6 7.755 5.212 9.687 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.229 4.896 8.886 1.00 0.00 H new ATOM 0 H1' DC B 6 5.822 2.954 10.123 1.00 0.00 H new ATOM 0 H41 DC B 6 7.772 4.696 16.163 1.00 0.00 H new ATOM 0 H42 DC B 6 6.030 4.405 16.198 1.00 0.00 H new ATOM 0 H5 DC B 6 9.065 4.648 14.073 1.00 0.00 H new ATOM 0 H6 DC B 6 8.937 4.217 11.670 1.00 0.00 H new ATOM 442 P DG B 7 6.847 5.074 6.103 1.00 0.00 P ATOM 443 OP1 DG B 7 6.556 4.733 4.692 1.00 0.00 O ATOM 444 OP2 DG B 7 7.891 6.075 6.417 1.00 0.00 O ATOM 445 O5' DG B 7 5.469 5.547 6.801 1.00 0.00 O ATOM 446 C5' DG B 7 4.304 4.752 6.705 1.00 0.00 C ATOM 447 C4' DG B 7 3.117 5.327 7.480 1.00 0.00 C ATOM 448 O4' DG B 7 3.358 5.275 8.878 1.00 0.00 O ATOM 449 C3' DG B 7 2.837 6.785 7.087 1.00 0.00 C ATOM 450 O3' DG B 7 1.459 6.955 6.802 1.00 0.00 O ATOM 451 C2' DG B 7 3.308 7.512 8.337 1.00 0.00 C ATOM 452 C1' DG B 7 2.962 6.513 9.431 1.00 0.00 C ATOM 453 N9 DG B 7 3.705 6.787 10.680 1.00 0.00 N ATOM 454 C8 DG B 7 5.033 7.092 10.818 1.00 0.00 C ATOM 455 N7 DG B 7 5.449 7.143 12.051 1.00 0.00 N ATOM 456 C5 DG B 7 4.299 6.899 12.795 1.00 0.00 C ATOM 457 C6 DG B 7 4.114 6.866 14.209 1.00 0.00 C ATOM 458 O6 DG B 7 4.971 6.946 15.084 1.00 0.00 O ATOM 459 N1 DG B 7 2.776 6.725 14.568 1.00 0.00 N ATOM 460 C2 DG B 7 1.735 6.601 13.666 1.00 0.00 C ATOM 461 N2 DG B 7 0.499 6.511 14.167 1.00 0.00 N ATOM 462 N3 DG B 7 1.915 6.574 12.336 1.00 0.00 N ATOM 463 C4 DG B 7 3.215 6.733 11.965 1.00 0.00 C ATOM 0 H5' DG B 7 4.523 3.751 7.078 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.028 4.648 5.656 1.00 0.00 H new ATOM 0 H4' DG B 7 2.250 4.717 7.227 1.00 0.00 H new ATOM 0 H3' DG B 7 3.331 7.146 6.185 1.00 0.00 H new ATOM 0 H2' DG B 7 4.376 7.729 8.305 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.793 8.463 8.475 1.00 0.00 H new ATOM 0 H1' DG B 7 1.909 6.549 9.708 1.00 0.00 H new ATOM 0 H8 DG B 7 5.682 7.275 9.974 1.00 0.00 H new ATOM 0 H1 DG B 7 2.549 6.712 15.562 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.300 6.418 13.540 1.00 0.00 H new ATOM 0 H22 DG B 7 0.355 6.535 15.176 1.00 0.00 H new ATOM 475 P DC B 8 0.836 8.387 6.390 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.404 8.151 5.618 1.00 0.00 O ATOM 477 OP2 DC B 8 1.911 9.230 5.822 1.00 0.00 O ATOM 478 O5' DC B 8 0.433 8.984 7.831 1.00 0.00 O ATOM 479 C5' DC B 8 -0.671 8.463 8.543 1.00 0.00 C ATOM 480 C4' DC B 8 -0.755 9.054 9.951 1.00 0.00 C ATOM 481 O4' DC B 8 0.403 8.728 10.681 1.00 0.00 O ATOM 482 C3' DC B 8 -0.834 10.580 10.000 1.00 0.00 C ATOM 483 O3' DC B 8 -2.154 11.056 9.843 1.00 0.00 O ATOM 484 C2' DC B 8 -0.280 10.887 11.390 1.00 0.00 C ATOM 485 C1' DC B 8 0.450 9.599 11.791 1.00 0.00 C ATOM 486 N1 DC B 8 1.860 9.866 12.184 1.00 0.00 N ATOM 487 C2 DC B 8 2.198 9.885 13.538 1.00 0.00 C ATOM 488 O2 DC B 8 1.345 9.764 14.415 1.00 0.00 O ATOM 489 N3 DC B 8 3.508 10.042 13.877 1.00 0.00 N ATOM 490 C4 DC B 8 4.458 10.191 12.942 1.00 0.00 C ATOM 491 N4 DC B 8 5.730 10.287 13.338 1.00 0.00 N ATOM 492 C5 DC B 8 4.127 10.215 11.543 1.00 0.00 C ATOM 493 C6 DC B 8 2.824 10.048 11.221 1.00 0.00 C ATOM 0 H5' DC B 8 -0.586 7.378 8.606 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.591 8.679 8.000 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.672 8.632 10.362 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.286 11.065 9.192 1.00 0.00 H new ATOM 0 H2' DC B 8 0.398 11.740 11.370 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.077 11.129 12.093 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.156 12.035 9.883 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.036 9.153 12.659 1.00 0.00 H new ATOM 0 H41 DC B 8 6.472 10.401 12.647 1.00 0.00 H new ATOM 0 H42 DC B 8 5.959 10.246 14.331 1.00 0.00 H new ATOM 0 H5 DC B 8 4.883 10.360 10.785 1.00 0.00 H new ATOM 0 H6 DC B 8 2.534 10.058 10.181 1.00 0.00 H new TER 506 DC B 8