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= -0.266 (180deg=-0.266) 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 5.616 12.954 24.342 1.00 0.00 O ATOM 2 C5' DG A 1 5.368 11.580 24.547 1.00 0.00 C ATOM 3 C4' DG A 1 4.029 11.185 23.912 1.00 0.00 C ATOM 4 O4' DG A 1 4.101 11.362 22.501 1.00 0.00 O ATOM 5 C3' DG A 1 3.678 9.717 24.186 1.00 0.00 C ATOM 6 O3' DG A 1 2.272 9.561 24.280 1.00 0.00 O ATOM 7 C2' DG A 1 4.256 9.091 22.927 1.00 0.00 C ATOM 8 C1' DG A 1 3.844 10.119 21.881 1.00 0.00 C ATOM 9 N9 DG A 1 4.600 9.965 20.612 1.00 0.00 N ATOM 10 C8 DG A 1 5.962 9.956 20.403 1.00 0.00 C ATOM 11 N7 DG A 1 6.309 9.831 19.153 1.00 0.00 N ATOM 12 C5 DG A 1 5.100 9.763 18.473 1.00 0.00 C ATOM 13 C6 DG A 1 4.844 9.657 17.072 1.00 0.00 C ATOM 14 O6 DG A 1 5.664 9.596 16.159 1.00 0.00 O ATOM 15 N1 DG A 1 3.482 9.626 16.782 1.00 0.00 N ATOM 16 C2 DG A 1 2.480 9.706 17.732 1.00 0.00 C ATOM 17 N2 DG A 1 1.216 9.654 17.299 1.00 0.00 N ATOM 18 N3 DG A 1 2.721 9.825 19.048 1.00 0.00 N ATOM 19 C4 DG A 1 4.048 9.848 19.354 1.00 0.00 C ATOM 0 H5' DG A 1 5.352 11.361 25.615 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.174 10.988 24.113 1.00 0.00 H new ATOM 0 H4' DG A 1 3.261 11.821 24.352 1.00 0.00 H new ATOM 0 H3' DG A 1 4.056 9.288 25.114 1.00 0.00 H new ATOM 0 H2' DG A 1 5.338 8.971 22.985 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.836 8.105 22.725 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.472 13.197 24.752 1.00 0.00 H new ATOM 0 H1' DG A 1 2.800 10.009 21.587 1.00 0.00 H new ATOM 0 H8 DG A 1 6.680 10.045 21.205 1.00 0.00 H new ATOM 0 H1 DG A 1 3.205 9.538 15.804 1.00 0.00 H new ATOM 0 H21 DG A 1 0.446 9.709 17.966 1.00 0.00 H new ATOM 0 H22 DG A 1 1.022 9.559 16.302 1.00 0.00 H new ATOM 32 P DC A 2 1.573 8.125 24.539 1.00 0.00 P ATOM 33 OP1 DC A 2 0.542 8.300 25.586 1.00 0.00 O ATOM 34 OP2 DC A 2 2.629 7.103 24.716 1.00 0.00 O ATOM 35 O5' DC A 2 0.830 7.841 23.132 1.00 0.00 O ATOM 36 C5' DC A 2 -0.297 8.603 22.745 1.00 0.00 C ATOM 37 C4' DC A 2 -1.064 8.055 21.544 1.00 0.00 C ATOM 38 O4' DC A 2 -0.310 8.161 20.349 1.00 0.00 O ATOM 39 C3' DC A 2 -1.421 6.587 21.785 1.00 0.00 C ATOM 40 O3' DC A 2 -2.737 6.343 21.318 1.00 0.00 O ATOM 41 C2' DC A 2 -0.324 5.915 20.995 1.00 0.00 C ATOM 42 C1' DC A 2 -0.135 6.864 19.815 1.00 0.00 C ATOM 43 N1 DC A 2 1.231 6.740 19.261 1.00 0.00 N ATOM 44 C2 DC A 2 1.437 6.524 17.897 1.00 0.00 C ATOM 45 O2 DC A 2 0.500 6.494 17.102 1.00 0.00 O ATOM 46 N3 DC A 2 2.718 6.348 17.459 1.00 0.00 N ATOM 47 C4 DC A 2 3.753 6.352 18.314 1.00 0.00 C ATOM 48 N4 DC A 2 4.993 6.219 17.833 1.00 0.00 N ATOM 49 C5 DC A 2 3.549 6.594 19.713 1.00 0.00 C ATOM 50 C6 DC A 2 2.291 6.810 20.120 1.00 0.00 C ATOM 0 H5' DC A 2 0.030 9.617 22.516 1.00 0.00 H new ATOM 0 H5'' DC A 2 -0.979 8.671 23.592 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.970 8.650 21.430 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.453 6.237 22.817 1.00 0.00 H new ATOM 0 H2' DC A 2 0.590 5.808 21.580 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.613 4.916 20.669 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.836 6.644 19.010 1.00 0.00 H new ATOM 0 H41 DC A 2 5.790 6.220 18.470 1.00 0.00 H new ATOM 0 H42 DC A 2 5.142 6.116 16.829 1.00 0.00 H new ATOM 0 H5 DC A 2 4.375 6.602 20.409 1.00 0.00 H new ATOM 0 H6 DC A 2 2.109 7.046 21.158 1.00 0.00 H new ATOM 62 P DG A 3 -3.359 4.861 21.156 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.821 4.949 21.368 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.556 3.907 21.954 1.00 0.00 O ATOM 65 O5' DG A 3 -3.088 4.582 19.588 1.00 0.00 O ATOM 66 C5' DG A 3 -3.753 5.359 18.608 1.00 0.00 C ATOM 67 C4' DG A 3 -3.548 4.853 17.190 1.00 0.00 C ATOM 68 O4' DG A 3 -2.186 4.896 16.807 1.00 0.00 O ATOM 69 C3' DG A 3 -4.081 3.423 17.109 1.00 0.00 C ATOM 70 O3' DG A 3 -5.105 3.327 16.134 1.00 0.00 O ATOM 71 C2' DG A 3 -2.806 2.663 16.797 1.00 0.00 C ATOM 72 C1' DG A 3 -1.850 3.675 16.183 1.00 0.00 C ATOM 73 N9 DG A 3 -0.432 3.378 16.482 1.00 0.00 N ATOM 74 C8 DG A 3 0.163 3.242 17.710 1.00 0.00 C ATOM 75 N7 DG A 3 1.464 3.273 17.686 1.00 0.00 N ATOM 76 C5 DG A 3 1.760 3.408 16.336 1.00 0.00 C ATOM 77 C6 DG A 3 3.019 3.553 15.686 1.00 0.00 C ATOM 78 O6 DG A 3 4.120 3.711 16.207 1.00 0.00 O ATOM 79 N1 DG A 3 2.904 3.501 14.299 1.00 0.00 N ATOM 80 C2 DG A 3 1.705 3.422 13.615 1.00 0.00 C ATOM 81 N2 DG A 3 1.756 3.392 12.280 1.00 0.00 N ATOM 82 N3 DG A 3 0.512 3.406 14.228 1.00 0.00 N ATOM 83 C4 DG A 3 0.608 3.391 15.585 1.00 0.00 C ATOM 0 H5' DG A 3 -3.401 6.389 18.672 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.820 5.373 18.830 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.089 5.501 16.500 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.575 3.034 17.999 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.382 2.225 17.701 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.001 1.842 16.107 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.946 3.676 15.097 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.402 3.119 18.622 1.00 0.00 H new ATOM 0 H1 DG A 3 3.763 3.523 13.750 1.00 0.00 H new ATOM 0 H21 DG A 3 0.894 3.334 11.738 1.00 0.00 H new ATOM 0 H22 DG A 3 2.657 3.427 11.803 1.00 0.00 H new ATOM 95 P DT A 4 -5.835 1.926 15.776 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.079 2.227 15.034 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.883 1.084 16.992 1.00 0.00 O ATOM 98 O5' DT A 4 -4.773 1.286 14.749 1.00 0.00 O ATOM 99 C5' DT A 4 -4.407 1.999 13.589 1.00 0.00 C ATOM 100 C4' DT A 4 -3.211 1.412 12.848 1.00 0.00 C ATOM 101 O4' DT A 4 -2.045 1.559 13.630 1.00 0.00 O ATOM 102 C3' DT A 4 -3.366 -0.073 12.486 1.00 0.00 C ATOM 103 O3' DT A 4 -3.404 -0.205 11.077 1.00 0.00 O ATOM 104 C2' DT A 4 -2.132 -0.685 13.148 1.00 0.00 C ATOM 105 C1' DT A 4 -1.186 0.504 13.276 1.00 0.00 C ATOM 106 N1 DT A 4 -0.178 0.261 14.331 1.00 0.00 N ATOM 107 C2 DT A 4 1.179 0.217 14.009 1.00 0.00 C ATOM 108 O2 DT A 4 1.603 0.235 12.856 1.00 0.00 O ATOM 109 N3 DT A 4 2.055 0.150 15.084 1.00 0.00 N ATOM 110 C4 DT A 4 1.695 0.074 16.424 1.00 0.00 C ATOM 111 O4 DT A 4 2.562 0.042 17.293 1.00 0.00 O ATOM 112 C5 DT A 4 0.262 0.039 16.657 1.00 0.00 C ATOM 113 C7 DT A 4 -0.288 -0.097 18.057 1.00 0.00 C ATOM 114 C6 DT A 4 -0.605 0.137 15.624 1.00 0.00 C ATOM 0 H5' DT A 4 -4.180 3.029 13.865 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.260 2.032 12.911 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.142 1.967 11.913 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.279 -0.563 12.824 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.369 -1.119 14.120 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.701 -1.480 12.540 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.619 0.704 12.367 1.00 0.00 H new ATOM 0 H3 DT A 4 3.052 0.157 14.871 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.254 0.404 18.119 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.411 -1.153 18.299 1.00 0.00 H new ATOM 0 H73 DT A 4 0.403 0.359 18.765 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.666 0.117 15.826 1.00 0.00 H new ATOM 127 P DA A 5 -3.514 -1.638 10.345 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.175 -1.440 9.036 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.057 -2.625 11.305 1.00 0.00 O ATOM 130 O5' DA A 5 -1.964 -1.984 10.084 1.00 0.00 O ATOM 131 C5' DA A 5 -1.181 -1.200 9.205 1.00 0.00 C ATOM 132 C4' DA A 5 0.228 -1.782 9.094 1.00 0.00 C ATOM 133 O4' DA A 5 0.910 -1.679 10.333 1.00 0.00 O ATOM 134 C3' DA A 5 0.215 -3.261 8.676 1.00 0.00 C ATOM 135 O3' DA A 5 0.972 -3.385 7.486 1.00 0.00 O ATOM 136 C2' DA A 5 0.810 -3.945 9.911 1.00 0.00 C ATOM 137 C1' DA A 5 1.695 -2.841 10.501 1.00 0.00 C ATOM 138 N9 DA A 5 1.974 -3.041 11.939 1.00 0.00 N ATOM 139 C8 DA A 5 1.045 -3.254 12.914 1.00 0.00 C ATOM 140 N7 DA A 5 1.486 -3.138 14.133 1.00 0.00 N ATOM 141 C5 DA A 5 2.838 -2.876 13.953 1.00 0.00 C ATOM 142 C6 DA A 5 3.891 -2.645 14.860 1.00 0.00 C ATOM 143 N6 DA A 5 3.692 -2.543 16.178 1.00 0.00 N ATOM 144 N1 DA A 5 5.138 -2.496 14.374 1.00 0.00 N ATOM 145 C2 DA A 5 5.322 -2.544 13.056 1.00 0.00 C ATOM 146 N3 DA A 5 4.410 -2.697 12.096 1.00 0.00 N ATOM 147 C4 DA A 5 3.162 -2.865 12.617 1.00 0.00 C ATOM 0 H5' DA A 5 -1.131 -0.173 9.568 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.648 -1.168 8.221 1.00 0.00 H new ATOM 0 H4' DA A 5 0.740 -1.202 8.326 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.750 -3.705 8.430 1.00 0.00 H new ATOM 0 H2' DA A 5 0.038 -4.265 10.611 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.387 -4.831 9.647 1.00 0.00 H new ATOM 0 H1' DA A 5 2.671 -2.807 10.017 1.00 0.00 H new ATOM 0 H8 DA A 5 0.018 -3.501 12.691 1.00 0.00 H new ATOM 0 H61 DA A 5 4.482 -2.375 16.802 1.00 0.00 H new ATOM 0 H62 DA A 5 2.751 -2.633 16.560 1.00 0.00 H new ATOM 0 H2 DA A 5 6.344 -2.446 12.721 1.00 0.00 H new ATOM 159 P DC A 6 1.256 -4.801 6.769 1.00 0.00 P ATOM 160 OP1 DC A 6 1.596 -4.547 5.352 1.00 0.00 O ATOM 161 OP2 DC A 6 0.166 -5.742 7.113 1.00 0.00 O ATOM 162 O5' DC A 6 2.590 -5.259 7.537 1.00 0.00 O ATOM 163 C5' DC A 6 3.756 -4.460 7.503 1.00 0.00 C ATOM 164 C4' DC A 6 4.803 -5.030 8.457 1.00 0.00 C ATOM 165 O4' DC A 6 4.322 -4.885 9.774 1.00 0.00 O ATOM 166 C3' DC A 6 5.163 -6.505 8.269 1.00 0.00 C ATOM 167 O3' DC A 6 6.369 -6.668 7.541 1.00 0.00 O ATOM 168 C2' DC A 6 5.232 -7.025 9.703 1.00 0.00 C ATOM 169 C1' DC A 6 5.047 -5.789 10.565 1.00 0.00 C ATOM 170 N1 DC A 6 4.328 -6.077 11.832 1.00 0.00 N ATOM 171 C2 DC A 6 5.000 -5.906 13.040 1.00 0.00 C ATOM 172 O2 DC A 6 6.215 -5.732 13.082 1.00 0.00 O ATOM 173 N3 DC A 6 4.277 -5.934 14.193 1.00 0.00 N ATOM 174 C4 DC A 6 2.956 -6.155 14.185 1.00 0.00 C ATOM 175 N4 DC A 6 2.300 -6.106 15.348 1.00 0.00 N ATOM 176 C5 DC A 6 2.251 -6.393 12.955 1.00 0.00 C ATOM 177 C6 DC A 6 2.982 -6.349 11.817 1.00 0.00 C ATOM 0 H5' DC A 6 3.514 -3.435 7.785 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.155 -4.426 6.489 1.00 0.00 H new ATOM 0 H4' DC A 6 5.713 -4.469 8.243 1.00 0.00 H new ATOM 0 H3' DC A 6 4.442 -7.061 7.670 1.00 0.00 H new ATOM 0 H2' DC A 6 4.453 -7.763 9.895 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.187 -7.510 9.904 1.00 0.00 H new ATOM 0 H1' DC A 6 6.014 -5.389 10.871 1.00 0.00 H new ATOM 0 H41 DC A 6 1.294 -6.270 15.373 1.00 0.00 H new ATOM 0 H42 DC A 6 2.806 -5.904 16.211 1.00 0.00 H new ATOM 0 H5 DC A 6 1.191 -6.597 12.940 1.00 0.00 H new ATOM 0 H6 DC A 6 2.494 -6.533 10.871 1.00 0.00 H new ATOM 189 P DG A 7 7.005 -8.127 7.239 1.00 0.00 P ATOM 190 OP1 DG A 7 7.961 -7.989 6.117 1.00 0.00 O ATOM 191 OP2 DG A 7 5.905 -9.113 7.150 1.00 0.00 O ATOM 192 O5' DG A 7 7.848 -8.431 8.584 1.00 0.00 O ATOM 193 C5' DG A 7 8.940 -7.611 8.949 1.00 0.00 C ATOM 194 C4' DG A 7 9.573 -8.012 10.283 1.00 0.00 C ATOM 195 O4' DG A 7 8.681 -7.760 11.358 1.00 0.00 O ATOM 196 C3' DG A 7 9.956 -9.499 10.304 1.00 0.00 C ATOM 197 O3' DG A 7 11.289 -9.651 10.760 1.00 0.00 O ATOM 198 C2' DG A 7 8.906 -10.049 11.257 1.00 0.00 C ATOM 199 C1' DG A 7 8.708 -8.883 12.214 1.00 0.00 C ATOM 200 N9 DG A 7 7.438 -8.998 12.964 1.00 0.00 N ATOM 201 C8 DG A 7 6.203 -9.337 12.477 1.00 0.00 C ATOM 202 N7 DG A 7 5.234 -9.220 13.340 1.00 0.00 N ATOM 203 C5 DG A 7 5.878 -8.817 14.504 1.00 0.00 C ATOM 204 C6 DG A 7 5.346 -8.564 15.804 1.00 0.00 C ATOM 205 O6 DG A 7 4.167 -8.551 16.146 1.00 0.00 O ATOM 206 N1 DG A 7 6.339 -8.312 16.746 1.00 0.00 N ATOM 207 C2 DG A 7 7.692 -8.279 16.464 1.00 0.00 C ATOM 208 N2 DG A 7 8.525 -8.059 17.486 1.00 0.00 N ATOM 209 N3 DG A 7 8.190 -8.460 15.230 1.00 0.00 N ATOM 210 C4 DG A 7 7.236 -8.730 14.298 1.00 0.00 C ATOM 0 H5' DG A 7 8.605 -6.576 9.010 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.697 -7.655 8.166 1.00 0.00 H new ATOM 0 H4' DG A 7 10.475 -7.411 10.398 1.00 0.00 H new ATOM 0 H3' DG A 7 9.955 -10.013 9.343 1.00 0.00 H new ATOM 0 H2' DG A 7 7.984 -10.314 10.740 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.251 -10.946 11.772 1.00 0.00 H new ATOM 0 H1' DG A 7 9.488 -8.832 12.974 1.00 0.00 H new ATOM 0 H8 DG A 7 6.046 -9.673 11.463 1.00 0.00 H new ATOM 0 H1 DG A 7 6.049 -8.140 17.709 1.00 0.00 H new ATOM 0 H21 DG A 7 9.532 -8.026 17.325 1.00 0.00 H new ATOM 0 H22 DG A 7 8.154 -7.924 18.426 1.00 0.00 H new ATOM 222 P DC A 8 11.979 -11.102 10.931 1.00 0.00 P ATOM 223 OP1 DC A 8 13.447 -10.933 10.838 1.00 0.00 O ATOM 224 OP2 DC A 8 11.290 -12.067 10.046 1.00 0.00 O ATOM 225 O5' DC A 8 11.603 -11.454 12.456 1.00 0.00 O ATOM 226 C5' DC A 8 12.234 -10.784 13.527 1.00 0.00 C ATOM 227 C4' DC A 8 11.596 -11.150 14.868 1.00 0.00 C ATOM 228 O4' DC A 8 10.240 -10.769 14.876 1.00 0.00 O ATOM 229 C3' DC A 8 11.586 -12.646 15.184 1.00 0.00 C ATOM 230 O3' DC A 8 12.796 -13.082 15.767 1.00 0.00 O ATOM 231 C2' DC A 8 10.410 -12.764 16.152 1.00 0.00 C ATOM 232 C1' DC A 8 9.623 -11.464 15.940 1.00 0.00 C ATOM 233 N1 DC A 8 8.194 -11.731 15.627 1.00 0.00 N ATOM 234 C2 DC A 8 7.235 -11.562 16.627 1.00 0.00 C ATOM 235 O2 DC A 8 7.551 -11.272 17.779 1.00 0.00 O ATOM 236 N3 DC A 8 5.922 -11.723 16.300 1.00 0.00 N ATOM 237 C4 DC A 8 5.549 -12.053 15.055 1.00 0.00 C ATOM 238 N4 DC A 8 4.243 -12.144 14.786 1.00 0.00 N ATOM 239 C5 DC A 8 6.521 -12.273 14.020 1.00 0.00 C ATOM 240 C6 DC A 8 7.821 -12.098 14.356 1.00 0.00 C ATOM 0 H5' DC A 8 12.169 -9.707 13.373 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.293 -11.040 13.545 1.00 0.00 H new ATOM 0 H4' DC A 8 12.208 -10.630 15.605 1.00 0.00 H new ATOM 0 H3' DC A 8 11.487 -13.272 14.297 1.00 0.00 H new ATOM 0 H2' DC A 8 9.800 -13.640 15.934 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.750 -12.861 17.183 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.742 -14.043 15.953 1.00 0.00 H new ATOM 0 H1' DC A 8 9.636 -10.871 16.855 1.00 0.00 H new ATOM 0 H41 DC A 8 3.932 -12.393 13.847 1.00 0.00 H new ATOM 0 H42 DC A 8 3.558 -11.964 15.520 1.00 0.00 H new ATOM 0 H5 DC A 8 6.229 -12.564 13.022 1.00 0.00 H new ATOM 0 H6 DC A 8 8.584 -12.251 13.607 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.122 -13.055 24.734 1.00 0.00 O ATOM 255 C5' DG B 1 -0.960 -11.657 24.837 1.00 0.00 C ATOM 256 C4' DG B 1 0.533 -11.309 24.885 1.00 0.00 C ATOM 257 O4' DG B 1 1.150 -11.707 23.666 1.00 0.00 O ATOM 258 C3' DG B 1 0.764 -9.803 25.063 1.00 0.00 C ATOM 259 O3' DG B 1 1.949 -9.575 25.806 1.00 0.00 O ATOM 260 C2' DG B 1 0.899 -9.406 23.602 1.00 0.00 C ATOM 261 C1' DG B 1 1.727 -10.566 23.065 1.00 0.00 C ATOM 262 N9 DG B 1 1.692 -10.643 21.581 1.00 0.00 N ATOM 263 C8 DG B 1 0.606 -10.724 20.737 1.00 0.00 C ATOM 264 N7 DG B 1 0.917 -10.808 19.474 1.00 0.00 N ATOM 265 C5 DG B 1 2.306 -10.794 19.468 1.00 0.00 C ATOM 266 C6 DG B 1 3.216 -10.895 18.372 1.00 0.00 C ATOM 267 O6 DG B 1 2.948 -11.010 17.179 1.00 0.00 O ATOM 268 N1 DG B 1 4.547 -10.852 18.782 1.00 0.00 N ATOM 269 C2 DG B 1 4.954 -10.742 20.099 1.00 0.00 C ATOM 270 N2 DG B 1 6.270 -10.705 20.334 1.00 0.00 N ATOM 271 N3 DG B 1 4.098 -10.667 21.131 1.00 0.00 N ATOM 272 C4 DG B 1 2.791 -10.698 20.752 1.00 0.00 C ATOM 0 H5' DG B 1 -1.458 -11.289 25.734 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.431 -11.164 23.987 1.00 0.00 H new ATOM 0 H4' DG B 1 0.963 -11.834 25.738 1.00 0.00 H new ATOM 0 H3' DG B 1 -0.001 -9.250 25.609 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.068 -9.324 23.105 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.403 -8.447 23.479 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.077 -13.272 24.705 1.00 0.00 H new ATOM 0 H1' DG B 1 2.785 -10.460 23.304 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.414 -10.718 21.091 1.00 0.00 H new ATOM 0 H1 DG B 1 5.269 -10.905 18.063 1.00 0.00 H new ATOM 0 H21 DG B 1 6.615 -10.624 21.290 1.00 0.00 H new ATOM 0 H22 DG B 1 6.928 -10.757 19.557 1.00 0.00 H new ATOM 285 P DC B 2 2.490 -8.089 26.143 1.00 0.00 P ATOM 286 OP1 DC B 2 2.874 -8.055 27.572 1.00 0.00 O ATOM 287 OP2 DC B 2 1.523 -7.097 25.623 1.00 0.00 O ATOM 288 O5' DC B 2 3.835 -7.996 25.250 1.00 0.00 O ATOM 289 C5' DC B 2 4.977 -8.761 25.584 1.00 0.00 C ATOM 290 C4' DC B 2 6.252 -8.374 24.839 1.00 0.00 C ATOM 291 O4' DC B 2 6.171 -8.696 23.461 1.00 0.00 O ATOM 292 C3' DC B 2 6.503 -6.873 24.992 1.00 0.00 C ATOM 293 O3' DC B 2 7.889 -6.649 25.194 1.00 0.00 O ATOM 294 C2' DC B 2 5.958 -6.378 23.674 1.00 0.00 C ATOM 295 C1' DC B 2 6.330 -7.506 22.716 1.00 0.00 C ATOM 296 N1 DC B 2 5.413 -7.526 21.556 1.00 0.00 N ATOM 297 C2 DC B 2 5.906 -7.533 20.249 1.00 0.00 C ATOM 298 O2 DC B 2 7.112 -7.587 20.017 1.00 0.00 O ATOM 299 N3 DC B 2 5.009 -7.480 19.221 1.00 0.00 N ATOM 300 C4 DC B 2 3.688 -7.396 19.453 1.00 0.00 C ATOM 301 N4 DC B 2 2.846 -7.389 18.416 1.00 0.00 N ATOM 302 C5 DC B 2 3.176 -7.410 20.793 1.00 0.00 C ATOM 303 C6 DC B 2 4.066 -7.507 21.789 1.00 0.00 C ATOM 0 H5' DC B 2 4.763 -9.811 25.386 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.157 -8.669 26.655 1.00 0.00 H new ATOM 0 H4' DC B 2 7.076 -8.940 25.273 1.00 0.00 H new ATOM 0 H3' DC B 2 6.042 -6.367 25.840 1.00 0.00 H new ATOM 0 H2' DC B 2 4.880 -6.219 23.715 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.409 -5.430 23.379 1.00 0.00 H new ATOM 0 H1' DC B 2 7.343 -7.385 22.332 1.00 0.00 H new ATOM 0 H41 DC B 2 1.841 -7.326 18.576 1.00 0.00 H new ATOM 0 H42 DC B 2 3.209 -7.447 17.464 1.00 0.00 H new ATOM 0 H5 DC B 2 2.116 -7.345 20.991 1.00 0.00 H new ATOM 0 H6 DC B 2 3.709 -7.572 22.806 1.00 0.00 H new ATOM 315 P DG B 3 8.569 -5.185 25.126 1.00 0.00 P ATOM 316 OP1 DG B 3 9.737 -5.177 26.034 1.00 0.00 O ATOM 317 OP2 DG B 3 7.517 -4.154 25.272 1.00 0.00 O ATOM 318 O5' DG B 3 9.107 -5.166 23.603 1.00 0.00 O ATOM 319 C5' DG B 3 10.133 -6.057 23.205 1.00 0.00 C ATOM 320 C4' DG B 3 10.666 -5.788 21.809 1.00 0.00 C ATOM 321 O4' DG B 3 9.662 -5.946 20.822 1.00 0.00 O ATOM 322 C3' DG B 3 11.228 -4.367 21.776 1.00 0.00 C ATOM 323 O3' DG B 3 12.600 -4.382 21.421 1.00 0.00 O ATOM 324 C2' DG B 3 10.298 -3.718 20.768 1.00 0.00 C ATOM 325 C1' DG B 3 9.722 -4.852 19.933 1.00 0.00 C ATOM 326 N9 DG B 3 8.351 -4.570 19.453 1.00 0.00 N ATOM 327 C8 DG B 3 7.240 -4.270 20.197 1.00 0.00 C ATOM 328 N7 DG B 3 6.115 -4.358 19.548 1.00 0.00 N ATOM 329 C5 DG B 3 6.509 -4.713 18.265 1.00 0.00 C ATOM 330 C6 DG B 3 5.721 -5.009 17.115 1.00 0.00 C ATOM 331 O6 DG B 3 4.501 -5.129 17.051 1.00 0.00 O ATOM 332 N1 DG B 3 6.499 -5.168 15.971 1.00 0.00 N ATOM 333 C2 DG B 3 7.882 -5.147 15.955 1.00 0.00 C ATOM 334 N2 DG B 3 8.489 -5.327 14.778 1.00 0.00 N ATOM 335 N3 DG B 3 8.624 -4.987 17.061 1.00 0.00 N ATOM 336 C4 DG B 3 7.880 -4.765 18.177 1.00 0.00 C ATOM 0 H5' DG B 3 9.753 -7.078 23.249 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.955 -5.992 23.917 1.00 0.00 H new ATOM 0 H4' DG B 3 11.448 -6.512 21.582 1.00 0.00 H new ATOM 0 H3' DG B 3 11.241 -3.825 22.721 1.00 0.00 H new ATOM 0 H2' DG B 3 9.506 -3.163 21.270 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.837 -3.008 20.141 1.00 0.00 H new ATOM 0 H1' DG B 3 10.334 -5.018 19.047 1.00 0.00 H new ATOM 0 H8 DG B 3 7.293 -3.984 21.237 1.00 0.00 H new ATOM 0 H1 DG B 3 6.016 -5.310 15.084 1.00 0.00 H new ATOM 0 H21 DG B 3 9.507 -5.319 14.723 1.00 0.00 H new ATOM 0 H22 DG B 3 7.934 -5.473 13.935 1.00 0.00 H new ATOM 348 P DT B 4 13.468 -3.025 21.251 1.00 0.00 P ATOM 349 OP1 DT B 4 14.903 -3.386 21.266 1.00 0.00 O ATOM 350 OP2 DT B 4 12.951 -2.002 22.187 1.00 0.00 O ATOM 351 O5' DT B 4 13.067 -2.598 19.751 1.00 0.00 O ATOM 352 C5' DT B 4 13.284 -3.498 18.688 1.00 0.00 C ATOM 353 C4' DT B 4 12.626 -3.083 17.377 1.00 0.00 C ATOM 354 O4' DT B 4 11.222 -3.154 17.502 1.00 0.00 O ATOM 355 C3' DT B 4 12.998 -1.668 16.909 1.00 0.00 C ATOM 356 O3' DT B 4 13.723 -1.755 15.696 1.00 0.00 O ATOM 357 C2' DT B 4 11.624 -1.011 16.781 1.00 0.00 C ATOM 358 C1' DT B 4 10.688 -2.203 16.616 1.00 0.00 C ATOM 359 N1 DT B 4 9.305 -1.840 16.993 1.00 0.00 N ATOM 360 C2 DT B 4 8.280 -1.902 16.048 1.00 0.00 C ATOM 361 O2 DT B 4 8.471 -2.117 14.853 1.00 0.00 O ATOM 362 N3 DT B 4 6.995 -1.705 16.534 1.00 0.00 N ATOM 363 C4 DT B 4 6.658 -1.406 17.849 1.00 0.00 C ATOM 364 O4 DT B 4 5.479 -1.275 18.168 1.00 0.00 O ATOM 365 C5 DT B 4 7.796 -1.277 18.742 1.00 0.00 C ATOM 366 C7 DT B 4 7.599 -0.902 20.192 1.00 0.00 C ATOM 367 C6 DT B 4 9.051 -1.499 18.293 1.00 0.00 C ATOM 0 H5' DT B 4 12.909 -4.480 18.975 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.357 -3.601 18.527 1.00 0.00 H new ATOM 0 H4' DT B 4 13.000 -3.780 16.627 1.00 0.00 H new ATOM 0 H3' DT B 4 13.650 -1.095 17.568 1.00 0.00 H new ATOM 0 H2' DT B 4 11.375 -0.421 17.663 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.576 -0.339 15.924 1.00 0.00 H new ATOM 0 H1' DT B 4 10.627 -2.565 15.590 1.00 0.00 H new ATOM 0 H3 DT B 4 6.229 -1.787 15.866 1.00 0.00 H new ATOM 0 H71 DT B 4 8.391 -1.348 20.794 1.00 0.00 H new ATOM 0 H72 DT B 4 7.632 0.183 20.295 1.00 0.00 H new ATOM 0 H73 DT B 4 6.632 -1.270 20.535 1.00 0.00 H new ATOM 0 H6 DT B 4 9.878 -1.404 18.981 1.00 0.00 H new ATOM 380 P DA B 5 14.234 -0.451 14.897 1.00 0.00 P ATOM 381 OP1 DA B 5 15.440 -0.823 14.126 1.00 0.00 O ATOM 382 OP2 DA B 5 14.279 0.695 15.832 1.00 0.00 O ATOM 383 O5' DA B 5 13.023 -0.214 13.863 1.00 0.00 O ATOM 384 C5' DA B 5 12.736 -1.159 12.850 1.00 0.00 C ATOM 385 C4' DA B 5 11.585 -0.659 11.976 1.00 0.00 C ATOM 386 O4' DA B 5 10.382 -0.595 12.724 1.00 0.00 O ATOM 387 C3' DA B 5 11.861 0.736 11.393 1.00 0.00 C ATOM 388 O3' DA B 5 11.786 0.641 9.982 1.00 0.00 O ATOM 389 C2' DA B 5 10.768 1.579 12.057 1.00 0.00 C ATOM 390 C1' DA B 5 9.664 0.546 12.305 1.00 0.00 C ATOM 391 N9 DA B 5 8.727 0.957 13.373 1.00 0.00 N ATOM 392 C8 DA B 5 9.072 1.357 14.630 1.00 0.00 C ATOM 393 N7 DA B 5 8.088 1.414 15.481 1.00 0.00 N ATOM 394 C5 DA B 5 6.986 1.073 14.708 1.00 0.00 C ATOM 395 C6 DA B 5 5.616 0.943 15.010 1.00 0.00 C ATOM 396 N6 DA B 5 5.143 1.055 16.255 1.00 0.00 N ATOM 397 N1 DA B 5 4.759 0.670 14.008 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.505 12.778 1.00 0.00 C ATOM 399 N3 DA B 5 6.512 0.544 12.374 1.00 0.00 N ATOM 400 C4 DA B 5 7.353 0.840 13.403 1.00 0.00 C ATOM 0 H5' DA B 5 12.472 -2.117 13.299 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.622 -1.327 12.237 1.00 0.00 H new ATOM 0 H4' DA B 5 11.490 -1.372 11.157 1.00 0.00 H new ATOM 0 H3' DA B 5 12.840 1.175 11.583 1.00 0.00 H new ATOM 0 H2' DA B 5 11.114 2.035 12.985 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.430 2.389 11.410 1.00 0.00 H new ATOM 0 H1' DA B 5 9.048 0.397 11.418 1.00 0.00 H new ATOM 0 H8 DA B 5 10.087 1.608 14.900 1.00 0.00 H new ATOM 0 H61 DA B 5 4.144 0.954 16.432 1.00 0.00 H new ATOM 0 H62 DA B 5 5.782 1.241 17.028 1.00 0.00 H new ATOM 0 H2 DA B 5 4.510 0.315 12.007 1.00 0.00 H new ATOM 412 P DC B 6 11.946 1.915 9.007 1.00 0.00 P ATOM 413 OP1 DC B 6 12.329 1.428 7.663 1.00 0.00 O ATOM 414 OP2 DC B 6 12.767 2.941 9.686 1.00 0.00 O ATOM 415 O5' DC B 6 10.427 2.432 8.944 1.00 0.00 O ATOM 416 C5' DC B 6 9.393 1.591 8.471 1.00 0.00 C ATOM 417 C4' DC B 6 8.039 2.260 8.691 1.00 0.00 C ATOM 418 O4' DC B 6 7.811 2.342 10.080 1.00 0.00 O ATOM 419 C3' DC B 6 7.878 3.672 8.124 1.00 0.00 C ATOM 420 O3' DC B 6 7.187 3.671 6.886 1.00 0.00 O ATOM 421 C2' DC B 6 7.141 4.407 9.242 1.00 0.00 C ATOM 422 C1' DC B 6 6.831 3.329 10.265 1.00 0.00 C ATOM 423 N1 DC B 6 6.852 3.840 11.659 1.00 0.00 N ATOM 424 C2 DC B 6 5.671 3.833 12.397 1.00 0.00 C ATOM 425 O2 DC B 6 4.583 3.619 11.867 1.00 0.00 O ATOM 426 N3 DC B 6 5.740 4.069 13.735 1.00 0.00 N ATOM 427 C4 DC B 6 6.906 4.340 14.337 1.00 0.00 C ATOM 428 N4 DC B 6 6.909 4.499 15.664 1.00 0.00 N ATOM 429 C5 DC B 6 8.130 4.412 13.587 1.00 0.00 C ATOM 430 C6 DC B 6 8.045 4.161 12.260 1.00 0.00 C ATOM 0 H5' DC B 6 9.424 0.634 8.991 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.538 1.383 7.411 1.00 0.00 H new ATOM 0 H4' DC B 6 7.327 1.637 8.151 1.00 0.00 H new ATOM 0 H3' DC B 6 8.822 4.155 7.874 1.00 0.00 H new ATOM 0 H2' DC B 6 7.757 5.197 9.672 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.230 4.879 8.874 1.00 0.00 H new ATOM 0 H1' DC B 6 5.822 2.943 10.119 1.00 0.00 H new ATOM 0 H41 DC B 6 7.781 4.706 16.151 1.00 0.00 H new ATOM 0 H42 DC B 6 6.039 4.413 16.190 1.00 0.00 H new ATOM 0 H5 DC B 6 9.071 4.654 14.059 1.00 0.00 H new ATOM 0 H6 DC B 6 8.939 4.214 11.657 1.00 0.00 H new ATOM 442 P DG B 7 6.841 5.038 6.088 1.00 0.00 P ATOM 443 OP1 DG B 7 6.547 4.688 4.681 1.00 0.00 O ATOM 444 OP2 DG B 7 7.885 6.041 6.394 1.00 0.00 O ATOM 445 O5' DG B 7 5.464 5.515 6.786 1.00 0.00 O ATOM 446 C5' DG B 7 4.298 4.720 6.696 1.00 0.00 C ATOM 447 C4' DG B 7 3.113 5.300 7.471 1.00 0.00 C ATOM 448 O4' DG B 7 3.357 5.254 8.869 1.00 0.00 O ATOM 449 C3' DG B 7 2.832 6.755 7.072 1.00 0.00 C ATOM 450 O3' DG B 7 1.453 6.924 6.790 1.00 0.00 O ATOM 451 C2' DG B 7 3.306 7.489 8.317 1.00 0.00 C ATOM 452 C1' DG B 7 2.964 6.494 9.417 1.00 0.00 C ATOM 453 N9 DG B 7 3.712 6.775 10.662 1.00 0.00 N ATOM 454 C8 DG B 7 5.040 7.084 10.793 1.00 0.00 C ATOM 455 N7 DG B 7 5.460 7.141 12.024 1.00 0.00 N ATOM 456 C5 DG B 7 4.314 6.899 12.774 1.00 0.00 C ATOM 457 C6 DG B 7 4.135 6.874 14.189 1.00 0.00 C ATOM 458 O6 DG B 7 4.996 6.962 15.059 1.00 0.00 O ATOM 459 N1 DG B 7 2.799 6.731 14.554 1.00 0.00 N ATOM 460 C2 DG B 7 1.755 6.600 13.658 1.00 0.00 C ATOM 461 N2 DG B 7 0.522 6.509 14.165 1.00 0.00 N ATOM 462 N3 DG B 7 1.929 6.567 12.327 1.00 0.00 N ATOM 463 C4 DG B 7 3.227 6.727 11.949 1.00 0.00 C ATOM 0 H5' DG B 7 4.517 3.721 7.073 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.020 4.611 5.648 1.00 0.00 H new ATOM 0 H4' DG B 7 2.245 4.690 7.223 1.00 0.00 H new ATOM 0 H3' DG B 7 3.324 7.111 6.167 1.00 0.00 H new ATOM 0 H2' DG B 7 4.373 7.707 8.281 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.791 8.440 8.452 1.00 0.00 H new ATOM 0 H1' DG B 7 1.911 6.530 9.698 1.00 0.00 H new ATOM 0 H8 DG B 7 5.685 7.265 9.946 1.00 0.00 H new ATOM 0 H1 DG B 7 2.576 6.722 15.549 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.280 6.411 13.542 1.00 0.00 H new ATOM 0 H22 DG B 7 0.383 6.537 15.175 1.00 0.00 H new ATOM 475 P DC B 8 0.828 8.354 6.375 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.414 8.115 5.606 1.00 0.00 O ATOM 477 OP2 DC B 8 1.901 9.196 5.799 1.00 0.00 O ATOM 478 O5' DC B 8 0.429 8.956 7.814 1.00 0.00 O ATOM 479 C5' DC B 8 -0.672 8.437 8.532 1.00 0.00 C ATOM 480 C4' DC B 8 -0.752 9.032 9.938 1.00 0.00 C ATOM 481 O4' DC B 8 0.411 8.711 10.664 1.00 0.00 O ATOM 482 C3' DC B 8 -0.834 10.558 9.982 1.00 0.00 C ATOM 483 O3' DC B 8 -2.155 11.033 9.826 1.00 0.00 O ATOM 484 C2' DC B 8 -0.273 10.872 11.368 1.00 0.00 C ATOM 485 C1' DC B 8 0.461 9.587 11.771 1.00 0.00 C ATOM 486 N1 DC B 8 1.871 9.858 12.157 1.00 0.00 N ATOM 487 C2 DC B 8 2.214 9.885 13.510 1.00 0.00 C ATOM 488 O2 DC B 8 1.365 9.766 14.391 1.00 0.00 O ATOM 489 N3 DC B 8 3.525 10.046 13.844 1.00 0.00 N ATOM 490 C4 DC B 8 4.471 10.192 12.905 1.00 0.00 C ATOM 491 N4 DC B 8 5.745 10.292 13.296 1.00 0.00 N ATOM 492 C5 DC B 8 4.136 10.209 11.507 1.00 0.00 C ATOM 493 C6 DC B 8 2.831 10.038 11.190 1.00 0.00 C ATOM 0 H5' DC B 8 -0.586 7.352 8.599 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.594 8.651 7.992 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.667 8.609 10.354 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.290 11.041 9.170 1.00 0.00 H new ATOM 0 H2' DC B 8 0.403 11.726 11.341 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.067 11.116 12.074 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.157 12.012 9.863 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.020 9.144 12.643 1.00 0.00 H new ATOM 0 H41 DC B 8 6.484 10.404 12.602 1.00 0.00 H new ATOM 0 H42 DC B 8 5.978 10.257 14.288 1.00 0.00 H new ATOM 0 H5 DC B 8 4.889 10.351 10.746 1.00 0.00 H new ATOM 0 H6 DC B 8 2.537 10.043 10.151 1.00 0.00 H new TER 506 DC B 8