USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 127 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 42:sc= 1.35 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.53! (180deg=-1.53!) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.238 (180deg=-2.1!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.147 (180deg=-1.88!) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -5.052 0.606 -5.916 1.00 0.00 O ATOM 2 C5' DG A 1 -5.389 0.405 -7.282 1.00 0.00 C ATOM 3 C4' DG A 1 -5.924 -1.003 -7.609 1.00 0.00 C ATOM 4 O4' DG A 1 -4.882 -1.966 -7.503 1.00 0.00 O ATOM 5 C3' DG A 1 -7.082 -1.470 -6.695 1.00 0.00 C ATOM 6 O3' DG A 1 -8.021 -2.258 -7.427 1.00 0.00 O ATOM 7 C2' DG A 1 -6.326 -2.317 -5.683 1.00 0.00 C ATOM 8 C1' DG A 1 -5.253 -2.948 -6.553 1.00 0.00 C ATOM 9 N9 DG A 1 -4.100 -3.398 -5.750 1.00 0.00 N ATOM 10 C8 DG A 1 -3.663 -4.687 -5.595 1.00 0.00 C ATOM 11 N7 DG A 1 -2.616 -4.812 -4.825 1.00 0.00 N ATOM 12 C5 DG A 1 -2.337 -3.491 -4.437 1.00 0.00 C ATOM 13 C6 DG A 1 -1.314 -2.934 -3.590 1.00 0.00 C ATOM 14 O6 DG A 1 -0.410 -3.515 -2.994 1.00 0.00 O ATOM 15 N1 DG A 1 -1.399 -1.562 -3.462 1.00 0.00 N ATOM 16 C2 DG A 1 -2.341 -0.799 -4.065 1.00 0.00 C ATOM 17 N2 DG A 1 -2.329 0.491 -3.874 1.00 0.00 N ATOM 18 N3 DG A 1 -3.300 -1.264 -4.855 1.00 0.00 N ATOM 19 C4 DG A 1 -3.247 -2.622 -5.003 1.00 0.00 C ATOM 0 H5' DG A 1 -4.506 0.595 -7.892 1.00 0.00 H new ATOM 0 H5'' DG A 1 -6.140 1.141 -7.570 1.00 0.00 H new ATOM 0 H4' DG A 1 -6.308 -0.927 -8.626 1.00 0.00 H new ATOM 0 H3' DG A 1 -7.670 -0.663 -6.257 1.00 0.00 H new ATOM 0 H2' DG A 1 -5.901 -1.714 -4.881 1.00 0.00 H new ATOM 0 H2'' DG A 1 -6.966 -3.065 -5.215 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.581 -0.183 -5.576 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.628 -3.843 -7.050 1.00 0.00 H new ATOM 0 H8 DG A 1 -4.144 -5.529 -6.070 1.00 0.00 H new ATOM 0 H1 DG A 1 -0.708 -1.093 -2.876 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.032 1.079 -4.321 1.00 0.00 H new ATOM 0 H22 DG A 1 -1.617 0.912 -3.277 1.00 0.00 H new ATOM 32 P DG A 2 -9.457 -2.666 -6.843 1.00 0.00 P ATOM 33 OP1 DG A 2 -10.148 -3.451 -7.890 1.00 0.00 O ATOM 34 OP2 DG A 2 -10.132 -1.454 -6.338 1.00 0.00 O ATOM 35 O5' DG A 2 -9.211 -3.607 -5.580 1.00 0.00 O ATOM 36 C5' DG A 2 -8.965 -5.008 -5.662 1.00 0.00 C ATOM 37 C4' DG A 2 -8.846 -5.665 -4.267 1.00 0.00 C ATOM 38 O4' DG A 2 -7.494 -5.547 -3.823 1.00 0.00 O ATOM 39 C3' DG A 2 -9.763 -4.983 -3.225 1.00 0.00 C ATOM 40 O3' DG A 2 -10.552 -5.800 -2.356 1.00 0.00 O ATOM 41 C2' DG A 2 -8.784 -4.096 -2.479 1.00 0.00 C ATOM 42 C1' DG A 2 -7.493 -4.901 -2.562 1.00 0.00 C ATOM 43 N9 DG A 2 -6.291 -4.075 -2.330 1.00 0.00 N ATOM 44 C8 DG A 2 -6.134 -2.710 -2.418 1.00 0.00 C ATOM 45 N7 DG A 2 -5.028 -2.264 -1.905 1.00 0.00 N ATOM 46 C5 DG A 2 -4.396 -3.412 -1.437 1.00 0.00 C ATOM 47 C6 DG A 2 -3.143 -3.584 -0.768 1.00 0.00 C ATOM 48 O6 DG A 2 -2.320 -2.736 -0.445 1.00 0.00 O ATOM 49 N1 DG A 2 -2.868 -4.898 -0.465 1.00 0.00 N ATOM 50 C2 DG A 2 -3.688 -5.930 -0.762 1.00 0.00 C ATOM 51 N2 DG A 2 -3.286 -7.120 -0.408 1.00 0.00 N ATOM 52 N3 DG A 2 -4.864 -5.831 -1.380 1.00 0.00 N ATOM 53 C4 DG A 2 -5.160 -4.529 -1.693 1.00 0.00 C ATOM 0 H5' DG A 2 -8.046 -5.181 -6.222 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.772 -5.485 -6.218 1.00 0.00 H new ATOM 0 H4' DG A 2 -9.150 -6.708 -4.358 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.582 -4.473 -3.733 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.684 -3.117 -2.947 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.093 -3.927 -1.447 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.453 -5.643 -1.765 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.869 -2.065 -2.875 1.00 0.00 H new ATOM 0 H1 DG A 2 -1.991 -5.106 0.013 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.866 -7.935 -0.608 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.392 -7.235 0.068 1.00 0.00 H new ATOM 65 P DT A 3 -9.996 -6.852 -1.272 1.00 0.00 P ATOM 66 OP1 DT A 3 -9.011 -7.743 -1.921 1.00 0.00 O ATOM 67 OP2 DT A 3 -11.188 -7.459 -0.649 1.00 0.00 O ATOM 68 O5' DT A 3 -9.202 -6.002 -0.161 1.00 0.00 O ATOM 69 C5' DT A 3 -9.844 -5.153 0.784 1.00 0.00 C ATOM 70 C4' DT A 3 -8.883 -4.544 1.834 1.00 0.00 C ATOM 71 O4' DT A 3 -8.502 -5.544 2.769 1.00 0.00 O ATOM 72 C3' DT A 3 -7.568 -3.905 1.361 1.00 0.00 C ATOM 73 O3' DT A 3 -7.178 -2.916 2.316 1.00 0.00 O ATOM 74 C2' DT A 3 -6.610 -5.088 1.401 1.00 0.00 C ATOM 75 C1' DT A 3 -7.100 -5.777 2.669 1.00 0.00 C ATOM 76 N1 DT A 3 -6.863 -7.240 2.692 1.00 0.00 N ATOM 77 C2 DT A 3 -6.094 -7.755 3.740 1.00 0.00 C ATOM 78 O2 DT A 3 -5.304 -7.088 4.404 1.00 0.00 O ATOM 79 N3 DT A 3 -6.265 -9.089 4.029 1.00 0.00 N ATOM 80 C4 DT A 3 -7.109 -9.952 3.363 1.00 0.00 C ATOM 81 O4 DT A 3 -7.290 -11.073 3.841 1.00 0.00 O ATOM 82 C5 DT A 3 -7.730 -9.392 2.157 1.00 0.00 C ATOM 83 C7 DT A 3 -8.605 -10.260 1.269 1.00 0.00 C ATOM 84 C6 DT A 3 -7.582 -8.072 1.857 1.00 0.00 C ATOM 0 H5' DT A 3 -10.618 -5.720 1.300 1.00 0.00 H new ATOM 0 H5'' DT A 3 -10.344 -4.344 0.251 1.00 0.00 H new ATOM 0 H4' DT A 3 -9.487 -3.726 2.228 1.00 0.00 H new ATOM 0 H3' DT A 3 -7.613 -3.418 0.387 1.00 0.00 H new ATOM 0 H2' DT A 3 -6.696 -5.725 0.520 1.00 0.00 H new ATOM 0 H2'' DT A 3 -5.567 -4.779 1.470 1.00 0.00 H new ATOM 0 H1' DT A 3 -6.537 -5.361 3.505 1.00 0.00 H new ATOM 0 H3 DT A 3 -5.721 -9.472 4.802 1.00 0.00 H new ATOM 0 H71 DT A 3 -9.363 -9.641 0.789 1.00 0.00 H new ATOM 0 H72 DT A 3 -7.989 -10.737 0.506 1.00 0.00 H new ATOM 0 H73 DT A 3 -9.091 -11.025 1.874 1.00 0.00 H new ATOM 0 H6 DT A 3 -8.030 -7.673 0.959 1.00 0.00 H new ATOM 97 P DT A 4 -5.997 -1.884 2.002 1.00 0.00 P ATOM 98 OP1 DT A 4 -6.357 -1.208 0.745 1.00 0.00 O ATOM 99 OP2 DT A 4 -4.706 -2.590 2.116 1.00 0.00 O ATOM 100 O5' DT A 4 -6.053 -0.784 3.172 1.00 0.00 O ATOM 101 C5' DT A 4 -5.160 0.324 3.131 1.00 0.00 C ATOM 102 C4' DT A 4 -5.729 1.631 3.697 1.00 0.00 C ATOM 103 O4' DT A 4 -7.009 1.834 3.097 1.00 0.00 O ATOM 104 C3' DT A 4 -5.904 1.623 5.219 1.00 0.00 C ATOM 105 O3' DT A 4 -5.462 2.790 5.925 1.00 0.00 O ATOM 106 C2' DT A 4 -7.372 1.295 5.416 1.00 0.00 C ATOM 107 C1' DT A 4 -8.019 1.730 4.092 1.00 0.00 C ATOM 108 N1 DT A 4 -9.218 0.912 3.715 1.00 0.00 N ATOM 109 C2 DT A 4 -10.420 1.614 3.513 1.00 0.00 C ATOM 110 O2 DT A 4 -10.515 2.836 3.408 1.00 0.00 O ATOM 111 N3 DT A 4 -11.586 0.892 3.524 1.00 0.00 N ATOM 112 C4 DT A 4 -11.700 -0.429 3.869 1.00 0.00 C ATOM 113 O4 DT A 4 -12.828 -0.882 4.032 1.00 0.00 O ATOM 114 C5 DT A 4 -10.429 -1.127 4.040 1.00 0.00 C ATOM 115 C7 DT A 4 -10.428 -2.594 4.434 1.00 0.00 C ATOM 116 C6 DT A 4 -9.249 -0.461 3.907 1.00 0.00 C ATOM 0 H5' DT A 4 -4.860 0.493 2.097 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.258 0.066 3.686 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.018 2.426 3.470 1.00 0.00 H new ATOM 0 H3' DT A 4 -5.239 0.888 5.672 1.00 0.00 H new ATOM 0 H2' DT A 4 -7.524 0.233 5.606 1.00 0.00 H new ATOM 0 H2'' DT A 4 -7.793 1.834 6.265 1.00 0.00 H new ATOM 0 H1' DT A 4 -8.455 2.722 4.210 1.00 0.00 H new ATOM 0 H3 DT A 4 -12.440 1.379 3.253 1.00 0.00 H new ATOM 0 H71 DT A 4 -9.544 -3.081 4.021 1.00 0.00 H new ATOM 0 H72 DT A 4 -10.415 -2.679 5.521 1.00 0.00 H new ATOM 0 H73 DT A 4 -11.324 -3.076 4.043 1.00 0.00 H new ATOM 0 H6 DT A 4 -8.321 -1.012 3.952 1.00 0.00 H new ATOM 129 P DG A 5 -5.993 4.312 5.771 1.00 0.00 P ATOM 130 OP1 DG A 5 -5.536 5.007 6.993 1.00 0.00 O ATOM 131 OP2 DG A 5 -7.444 4.346 5.504 1.00 0.00 O ATOM 132 O5' DG A 5 -5.215 5.006 4.552 1.00 0.00 O ATOM 133 C5' DG A 5 -5.747 5.134 3.237 1.00 0.00 C ATOM 134 C4' DG A 5 -4.810 6.028 2.417 1.00 0.00 C ATOM 135 O4' DG A 5 -3.490 5.503 2.509 1.00 0.00 O ATOM 136 C3' DG A 5 -5.150 6.166 0.924 1.00 0.00 C ATOM 137 O3' DG A 5 -5.210 7.481 0.350 1.00 0.00 O ATOM 138 C2' DG A 5 -4.142 5.243 0.254 1.00 0.00 C ATOM 139 C1' DG A 5 -2.976 5.097 1.247 1.00 0.00 C ATOM 140 N9 DG A 5 -2.350 3.740 1.429 1.00 0.00 N ATOM 141 C8 DG A 5 -1.317 3.475 2.297 1.00 0.00 C ATOM 142 N7 DG A 5 -0.994 2.215 2.434 1.00 0.00 N ATOM 143 C5 DG A 5 -1.889 1.563 1.581 1.00 0.00 C ATOM 144 C6 DG A 5 -2.041 0.159 1.284 1.00 0.00 C ATOM 145 O6 DG A 5 -1.391 -0.789 1.741 1.00 0.00 O ATOM 146 N1 DG A 5 -3.048 -0.097 0.372 1.00 0.00 N ATOM 147 C2 DG A 5 -3.815 0.870 -0.183 1.00 0.00 C ATOM 148 N2 DG A 5 -4.735 0.515 -1.027 1.00 0.00 N ATOM 149 N3 DG A 5 -3.701 2.167 0.069 1.00 0.00 N ATOM 150 C4 DG A 5 -2.720 2.479 0.963 1.00 0.00 C ATOM 0 H5' DG A 5 -6.747 5.566 3.274 1.00 0.00 H new ATOM 0 H5'' DG A 5 -5.840 4.154 2.769 1.00 0.00 H new ATOM 0 H4' DG A 5 -4.920 7.024 2.846 1.00 0.00 H new ATOM 0 H3' DG A 5 -6.193 5.894 0.761 1.00 0.00 H new ATOM 0 H2' DG A 5 -4.588 4.274 0.031 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.799 5.661 -0.692 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.167 5.696 0.829 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.804 4.260 2.833 1.00 0.00 H new ATOM 0 H1 DG A 5 -3.222 -1.065 0.103 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.329 1.222 -1.461 1.00 0.00 H new ATOM 0 H22 DG A 5 -4.864 -0.471 -1.256 1.00 0.00 H new ATOM 162 P DG A 6 -4.142 8.674 0.531 1.00 0.00 P ATOM 163 OP1 DG A 6 -3.862 8.861 1.969 1.00 0.00 O ATOM 164 OP2 DG A 6 -4.665 9.853 -0.198 1.00 0.00 O ATOM 165 O5' DG A 6 -2.773 8.264 -0.177 1.00 0.00 O ATOM 166 C5' DG A 6 -1.553 8.866 0.245 1.00 0.00 C ATOM 167 C4' DG A 6 -0.288 8.262 -0.380 1.00 0.00 C ATOM 168 O4' DG A 6 -0.341 6.856 -0.161 1.00 0.00 O ATOM 169 C3' DG A 6 -0.195 8.500 -1.902 1.00 0.00 C ATOM 170 O3' DG A 6 1.105 8.500 -2.472 1.00 0.00 O ATOM 171 C2' DG A 6 -0.786 7.203 -2.411 1.00 0.00 C ATOM 172 C1' DG A 6 -0.146 6.234 -1.414 1.00 0.00 C ATOM 173 N9 DG A 6 -0.668 4.856 -1.516 1.00 0.00 N ATOM 174 C8 DG A 6 -1.524 4.345 -2.463 1.00 0.00 C ATOM 175 N7 DG A 6 -1.469 3.050 -2.610 1.00 0.00 N ATOM 176 C5 DG A 6 -0.495 2.672 -1.680 1.00 0.00 C ATOM 177 C6 DG A 6 0.048 1.391 -1.336 1.00 0.00 C ATOM 178 O6 DG A 6 -0.225 0.288 -1.789 1.00 0.00 O ATOM 179 N1 DG A 6 1.008 1.445 -0.359 1.00 0.00 N ATOM 180 C2 DG A 6 1.425 2.578 0.240 1.00 0.00 C ATOM 181 N2 DG A 6 2.349 2.457 1.152 1.00 0.00 N ATOM 182 N3 DG A 6 0.957 3.790 -0.039 1.00 0.00 N ATOM 183 C4 DG A 6 -0.003 3.770 -1.012 1.00 0.00 C ATOM 0 H5' DG A 6 -1.480 8.785 1.330 1.00 0.00 H new ATOM 0 H5'' DG A 6 -1.587 9.929 0.007 1.00 0.00 H new ATOM 0 H4' DG A 6 0.578 8.737 0.080 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.640 9.467 -2.139 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.875 7.192 -2.368 1.00 0.00 H new ATOM 0 H2'' DG A 6 -0.506 6.990 -3.443 1.00 0.00 H new ATOM 0 H1' DG A 6 0.914 6.070 -1.608 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.191 4.968 -3.041 1.00 0.00 H new ATOM 0 H1 DG A 6 1.436 0.567 -0.065 1.00 0.00 H new ATOM 0 H21 DG A 6 2.700 3.284 1.636 1.00 0.00 H new ATOM 0 H22 DG A 6 2.721 1.536 1.382 1.00 0.00 H new ATOM 195 P DT A 7 2.201 9.616 -2.209 1.00 0.00 P ATOM 196 OP1 DT A 7 1.887 10.354 -0.970 1.00 0.00 O ATOM 197 OP2 DT A 7 2.380 10.379 -3.464 1.00 0.00 O ATOM 198 O5' DT A 7 3.471 8.676 -2.001 1.00 0.00 O ATOM 199 C5' DT A 7 3.770 8.070 -0.748 1.00 0.00 C ATOM 200 C4' DT A 7 4.522 6.735 -0.899 1.00 0.00 C ATOM 201 O4' DT A 7 3.595 5.671 -1.127 1.00 0.00 O ATOM 202 C3' DT A 7 5.568 6.710 -2.032 1.00 0.00 C ATOM 203 O3' DT A 7 6.901 6.336 -1.646 1.00 0.00 O ATOM 204 C2' DT A 7 4.935 5.774 -3.052 1.00 0.00 C ATOM 205 C1' DT A 7 4.085 4.846 -2.172 1.00 0.00 C ATOM 206 N1 DT A 7 2.999 4.186 -2.952 1.00 0.00 N ATOM 207 C2 DT A 7 2.986 2.785 -3.024 1.00 0.00 C ATOM 208 O2 DT A 7 3.689 2.043 -2.349 1.00 0.00 O ATOM 209 N3 DT A 7 2.102 2.223 -3.910 1.00 0.00 N ATOM 210 C4 DT A 7 1.233 2.904 -4.727 1.00 0.00 C ATOM 211 O4 DT A 7 0.511 2.248 -5.469 1.00 0.00 O ATOM 212 C5 DT A 7 1.274 4.362 -4.593 1.00 0.00 C ATOM 213 C7 DT A 7 0.375 5.227 -5.457 1.00 0.00 C ATOM 214 C6 DT A 7 2.122 4.946 -3.702 1.00 0.00 C ATOM 0 H5' DT A 7 2.843 7.900 -0.200 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.372 8.756 -0.151 1.00 0.00 H new ATOM 0 H4' DT A 7 5.063 6.609 0.039 1.00 0.00 H new ATOM 0 H3' DT A 7 5.762 7.710 -2.420 1.00 0.00 H new ATOM 0 H2' DT A 7 4.326 6.315 -3.776 1.00 0.00 H new ATOM 0 H2'' DT A 7 5.686 5.222 -3.616 1.00 0.00 H new ATOM 0 H1' DT A 7 4.666 4.016 -1.770 1.00 0.00 H new ATOM 0 H3 DT A 7 2.089 1.205 -3.967 1.00 0.00 H new ATOM 0 H71 DT A 7 0.194 4.727 -6.409 1.00 0.00 H new ATOM 0 H72 DT A 7 -0.574 5.389 -4.946 1.00 0.00 H new ATOM 0 H73 DT A 7 0.858 6.187 -5.638 1.00 0.00 H new ATOM 0 H6 DT A 7 2.109 6.019 -3.580 1.00 0.00 H new ATOM 227 P DG A 8 7.349 4.923 -1.008 1.00 0.00 P ATOM 228 OP1 DG A 8 6.478 4.620 0.142 1.00 0.00 O ATOM 229 OP2 DG A 8 8.803 5.024 -0.753 1.00 0.00 O ATOM 230 O5' DG A 8 7.116 3.859 -2.177 1.00 0.00 O ATOM 231 C5' DG A 8 7.353 2.467 -2.013 1.00 0.00 C ATOM 232 C4' DG A 8 7.649 1.797 -3.369 1.00 0.00 C ATOM 233 O4' DG A 8 6.463 1.662 -4.157 1.00 0.00 O ATOM 234 C3' DG A 8 8.690 2.595 -4.181 1.00 0.00 C ATOM 235 O3' DG A 8 9.964 1.987 -4.442 1.00 0.00 O ATOM 236 C2' DG A 8 7.861 3.114 -5.347 1.00 0.00 C ATOM 237 C1' DG A 8 6.680 2.128 -5.479 1.00 0.00 C ATOM 238 N9 DG A 8 5.442 2.740 -6.080 1.00 0.00 N ATOM 239 C8 DG A 8 5.236 4.062 -6.411 1.00 0.00 C ATOM 240 N7 DG A 8 4.172 4.304 -7.124 1.00 0.00 N ATOM 241 C5 DG A 8 3.589 3.037 -7.274 1.00 0.00 C ATOM 242 C6 DG A 8 2.383 2.612 -7.949 1.00 0.00 C ATOM 243 O6 DG A 8 1.581 3.259 -8.622 1.00 0.00 O ATOM 244 N1 DG A 8 2.104 1.268 -7.795 1.00 0.00 N ATOM 245 C2 DG A 8 2.922 0.414 -7.132 1.00 0.00 C ATOM 246 N2 DG A 8 2.541 -0.831 -7.031 1.00 0.00 N ATOM 247 N3 DG A 8 4.075 0.738 -6.552 1.00 0.00 N ATOM 248 C4 DG A 8 4.356 2.078 -6.634 1.00 0.00 C ATOM 0 H5' DG A 8 6.484 1.998 -1.553 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.193 2.314 -1.336 1.00 0.00 H new ATOM 0 H4' DG A 8 8.048 0.809 -3.141 1.00 0.00 H new ATOM 0 H3' DG A 8 9.140 3.407 -3.610 1.00 0.00 H new ATOM 0 H2' DG A 8 7.508 4.128 -5.158 1.00 0.00 H new ATOM 0 H2'' DG A 8 8.450 3.148 -6.264 1.00 0.00 H new ATOM 0 H1' DG A 8 6.916 1.323 -6.174 1.00 0.00 H new ATOM 0 H8 DG A 8 5.911 4.845 -6.100 1.00 0.00 H new ATOM 0 H1 DG A 8 1.242 0.901 -8.199 1.00 0.00 H new ATOM 0 H21 DG A 8 3.128 -1.506 -6.540 1.00 0.00 H new ATOM 0 H22 DG A 8 1.657 -1.129 -7.443 1.00 0.00 H new ATOM 260 P DT A 9 10.313 0.833 -5.496 1.00 0.00 P ATOM 261 OP1 DT A 9 11.745 0.515 -5.306 1.00 0.00 O ATOM 262 OP2 DT A 9 9.878 1.258 -6.844 1.00 0.00 O ATOM 263 O5' DT A 9 9.477 -0.450 -5.076 1.00 0.00 O ATOM 264 C5' DT A 9 9.789 -1.176 -3.898 1.00 0.00 C ATOM 265 C4' DT A 9 8.927 -2.436 -3.707 1.00 0.00 C ATOM 266 O4' DT A 9 7.688 -2.271 -4.385 1.00 0.00 O ATOM 267 C3' DT A 9 9.572 -3.704 -4.292 1.00 0.00 C ATOM 268 O3' DT A 9 9.343 -4.841 -3.472 1.00 0.00 O ATOM 269 C2' DT A 9 8.822 -3.888 -5.605 1.00 0.00 C ATOM 270 C1' DT A 9 7.445 -3.339 -5.279 1.00 0.00 C ATOM 271 N1 DT A 9 6.737 -2.860 -6.497 1.00 0.00 N ATOM 272 C2 DT A 9 5.819 -3.707 -7.131 1.00 0.00 C ATOM 273 O2 DT A 9 5.547 -4.839 -6.732 1.00 0.00 O ATOM 274 N3 DT A 9 5.213 -3.224 -8.270 1.00 0.00 N ATOM 275 C4 DT A 9 5.481 -2.013 -8.872 1.00 0.00 C ATOM 276 O4 DT A 9 4.894 -1.733 -9.913 1.00 0.00 O ATOM 277 C5 DT A 9 6.480 -1.195 -8.186 1.00 0.00 C ATOM 278 C7 DT A 9 6.916 0.146 -8.745 1.00 0.00 C ATOM 279 C6 DT A 9 7.060 -1.636 -7.043 1.00 0.00 C ATOM 0 H5' DT A 9 9.661 -0.524 -3.034 1.00 0.00 H new ATOM 0 H5'' DT A 9 10.840 -1.465 -3.926 1.00 0.00 H new ATOM 0 H4' DT A 9 8.808 -2.557 -2.630 1.00 0.00 H new ATOM 0 H3' DT A 9 10.653 -3.606 -4.388 1.00 0.00 H new ATOM 0 H2' DT A 9 9.294 -3.341 -6.421 1.00 0.00 H new ATOM 0 H2'' DT A 9 8.780 -4.935 -5.905 1.00 0.00 H new ATOM 0 H1' DT A 9 6.799 -4.105 -4.850 1.00 0.00 H new ATOM 0 H3 DT A 9 4.504 -3.814 -8.706 1.00 0.00 H new ATOM 0 H71 DT A 9 6.838 0.130 -9.832 1.00 0.00 H new ATOM 0 H72 DT A 9 6.275 0.932 -8.347 1.00 0.00 H new ATOM 0 H73 DT A 9 7.949 0.341 -8.459 1.00 0.00 H new ATOM 0 H6 DT A 9 7.792 -1.014 -6.549 1.00 0.00 H new ATOM 292 P DG A 10 10.272 -5.196 -2.219 1.00 0.00 P ATOM 293 OP1 DG A 10 11.688 -5.164 -2.658 1.00 0.00 O ATOM 294 OP2 DG A 10 9.745 -6.450 -1.637 1.00 0.00 O ATOM 295 O5' DG A 10 10.040 -4.038 -1.145 1.00 0.00 O ATOM 296 C5' DG A 10 10.997 -3.005 -0.941 1.00 0.00 C ATOM 297 C4' DG A 10 10.642 -2.041 0.197 1.00 0.00 C ATOM 298 O4' DG A 10 9.610 -1.100 -0.122 1.00 0.00 O ATOM 299 C3' DG A 10 10.259 -2.778 1.495 1.00 0.00 C ATOM 300 O3' DG A 10 10.923 -2.208 2.621 1.00 0.00 O ATOM 301 C2' DG A 10 8.765 -2.499 1.523 1.00 0.00 C ATOM 302 C1' DG A 10 8.766 -1.064 1.016 1.00 0.00 C ATOM 303 N9 DG A 10 7.383 -0.538 0.957 1.00 0.00 N ATOM 304 C8 DG A 10 6.713 -0.125 2.081 1.00 0.00 C ATOM 305 N7 DG A 10 5.422 -0.069 1.969 1.00 0.00 N ATOM 306 C5 DG A 10 5.206 -0.479 0.655 1.00 0.00 C ATOM 307 C6 DG A 10 3.981 -0.629 -0.070 1.00 0.00 C ATOM 308 O6 DG A 10 2.833 -0.431 0.307 1.00 0.00 O ATOM 309 N1 DG A 10 4.154 -1.055 -1.363 1.00 0.00 N ATOM 310 C2 DG A 10 5.359 -1.312 -1.901 1.00 0.00 C ATOM 311 N2 DG A 10 5.321 -1.706 -3.139 1.00 0.00 N ATOM 312 N3 DG A 10 6.532 -1.196 -1.282 1.00 0.00 N ATOM 313 C4 DG A 10 6.395 -0.770 0.015 1.00 0.00 C ATOM 0 H5' DG A 10 11.105 -2.436 -1.865 1.00 0.00 H new ATOM 0 H5'' DG A 10 11.966 -3.458 -0.731 1.00 0.00 H new ATOM 0 H4' DG A 10 11.563 -1.479 0.350 1.00 0.00 H new ATOM 0 H3' DG A 10 10.526 -3.834 1.529 1.00 0.00 H new ATOM 0 H2' DG A 10 8.201 -3.171 0.876 1.00 0.00 H new ATOM 0 H2'' DG A 10 8.341 -2.589 2.523 1.00 0.00 H new ATOM 0 H1' DG A 10 9.193 -0.293 1.657 1.00 0.00 H new ATOM 0 H8 DG A 10 7.225 0.135 2.996 1.00 0.00 H new ATOM 0 H1 DG A 10 3.326 -1.183 -1.945 1.00 0.00 H new ATOM 0 H21 DG A 10 6.187 -1.925 -3.631 1.00 0.00 H new ATOM 0 H22 DG A 10 4.425 -1.797 -3.618 1.00 0.00 H new ATOM 325 P DG A 11 10.865 -2.892 4.072 1.00 0.00 P ATOM 326 OP1 DG A 11 11.867 -2.206 4.919 1.00 0.00 O ATOM 327 OP2 DG A 11 10.975 -4.356 3.914 1.00 0.00 O ATOM 328 O5' DG A 11 9.415 -2.595 4.693 1.00 0.00 O ATOM 329 C5' DG A 11 9.145 -1.430 5.461 1.00 0.00 C ATOM 330 C4' DG A 11 7.695 -1.365 5.961 1.00 0.00 C ATOM 331 O4' DG A 11 6.769 -1.263 4.896 1.00 0.00 O ATOM 332 C3' DG A 11 7.229 -2.591 6.746 1.00 0.00 C ATOM 333 O3' DG A 11 7.637 -2.577 8.106 1.00 0.00 O ATOM 334 C2' DG A 11 5.711 -2.427 6.656 1.00 0.00 C ATOM 335 C1' DG A 11 5.478 -1.608 5.375 1.00 0.00 C ATOM 336 N9 DG A 11 4.745 -2.373 4.339 1.00 0.00 N ATOM 337 C8 DG A 11 5.088 -3.586 3.795 1.00 0.00 C ATOM 338 N7 DG A 11 4.209 -4.067 2.955 1.00 0.00 N ATOM 339 C5 DG A 11 3.199 -3.089 2.939 1.00 0.00 C ATOM 340 C6 DG A 11 1.954 -3.021 2.214 1.00 0.00 C ATOM 341 O6 DG A 11 1.492 -3.844 1.420 1.00 0.00 O ATOM 342 N1 DG A 11 1.219 -1.878 2.471 1.00 0.00 N ATOM 343 C2 DG A 11 1.629 -0.910 3.327 1.00 0.00 C ATOM 344 N2 DG A 11 0.837 0.119 3.478 1.00 0.00 N ATOM 345 N3 DG A 11 2.769 -0.926 4.021 1.00 0.00 N ATOM 346 C4 DG A 11 3.519 -2.049 3.785 1.00 0.00 C ATOM 0 H5' DG A 11 9.356 -0.547 4.858 1.00 0.00 H new ATOM 0 H5'' DG A 11 9.820 -1.400 6.316 1.00 0.00 H new ATOM 0 H4' DG A 11 7.712 -0.485 6.604 1.00 0.00 H new ATOM 0 H3' DG A 11 7.635 -3.524 6.355 1.00 0.00 H new ATOM 0 H2' DG A 11 5.211 -3.394 6.603 1.00 0.00 H new ATOM 0 H2'' DG A 11 5.316 -1.912 7.532 1.00 0.00 H new ATOM 0 HO3' DG A 11 7.308 -3.384 8.555 1.00 0.00 H new ATOM 0 H1' DG A 11 4.864 -0.735 5.596 1.00 0.00 H new ATOM 0 H8 DG A 11 6.006 -4.099 4.040 1.00 0.00 H new ATOM 0 H1 DG A 11 0.326 -1.758 1.994 1.00 0.00 H new ATOM 0 H21 DG A 11 1.098 0.875 4.110 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.042 0.165 2.963 1.00 0.00 H new TER 359 DG A 11