USER MOD reduce.3.24.130724 H: found=0, std=0, add=222, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 222 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 DA O5' : rot 23:sc= 1.43 USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.883 (180deg=-0.883) USER MOD Single : A 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 5.131 5.370 -6.777 1.00 0.45 O ATOM 2 C5' DA A 1 4.258 6.382 -7.285 1.00 0.42 C ATOM 3 C4' DA A 1 2.827 5.863 -7.420 1.00 0.31 C ATOM 4 O4' DA A 1 2.352 5.447 -6.139 1.00 0.30 O ATOM 5 C3' DA A 1 1.835 6.908 -7.952 1.00 0.31 C ATOM 6 O3' DA A 1 1.304 6.488 -9.218 1.00 0.29 O ATOM 7 C2' DA A 1 0.714 6.966 -6.911 1.00 0.25 C ATOM 8 C1' DA A 1 0.956 5.718 -6.074 1.00 0.22 C ATOM 9 N9 DA A 1 0.592 5.878 -4.657 1.00 0.24 N ATOM 10 C8 DA A 1 1.366 5.675 -3.554 1.00 0.25 C ATOM 11 N7 DA A 1 0.752 5.903 -2.429 1.00 0.29 N ATOM 12 C5 DA A 1 -0.527 6.285 -2.814 1.00 0.32 C ATOM 13 C6 DA A 1 -1.667 6.663 -2.085 1.00 0.40 C ATOM 14 N6 DA A 1 -1.702 6.720 -0.749 1.00 0.44 N ATOM 15 N1 DA A 1 -2.768 6.980 -2.788 1.00 0.45 N ATOM 16 C2 DA A 1 -2.729 6.922 -4.115 1.00 0.43 C ATOM 17 N3 DA A 1 -1.722 6.584 -4.908 1.00 0.35 N ATOM 18 C4 DA A 1 -0.634 6.272 -4.176 1.00 0.30 C ATOM 0 H5' DA A 1 4.617 6.721 -8.256 1.00 0.42 H new ATOM 0 H5'' DA A 1 4.273 7.246 -6.620 1.00 0.42 H new ATOM 0 H4' DA A 1 2.874 5.044 -8.138 1.00 0.31 H new ATOM 0 H3' DA A 1 2.308 7.878 -8.102 1.00 0.31 H new ATOM 0 H2' DA A 1 0.770 7.873 -6.308 1.00 0.25 H new ATOM 0 H2'' DA A 1 -0.271 6.954 -7.378 1.00 0.25 H new ATOM 0 HO5' DA A 1 4.748 4.486 -6.959 1.00 0.45 H new ATOM 0 H1' DA A 1 0.333 4.917 -6.472 1.00 0.22 H new ATOM 0 H8 DA A 1 2.396 5.354 -3.608 1.00 0.25 H new ATOM 0 H61 DA A 1 -2.559 7.002 -0.273 1.00 0.44 H new ATOM 0 H62 DA A 1 -0.872 6.482 -0.207 1.00 0.44 H new ATOM 0 H2 DA A 1 -3.647 7.188 -4.618 1.00 0.43 H new ATOM 31 P DG A 2 0.715 5.003 -9.430 1.00 0.20 P ATOM 32 OP1 DG A 2 -0.078 4.988 -10.680 1.00 0.25 O ATOM 33 OP2 DG A 2 0.099 4.565 -8.160 1.00 0.16 O ATOM 34 O5' DG A 2 2.048 4.138 -9.672 1.00 0.21 O ATOM 35 C5' DG A 2 3.006 4.550 -10.651 1.00 0.21 C ATOM 36 C4' DG A 2 4.328 3.810 -10.483 1.00 0.19 C ATOM 37 O4' DG A 2 4.723 3.859 -9.106 1.00 0.24 O ATOM 38 C3' DG A 2 4.270 2.334 -10.877 1.00 0.17 C ATOM 39 O3' DG A 2 5.517 1.956 -11.479 1.00 0.21 O ATOM 40 C2' DG A 2 4.096 1.624 -9.547 1.00 0.18 C ATOM 41 C1' DG A 2 4.922 2.522 -8.643 1.00 0.21 C ATOM 42 N9 DG A 2 4.554 2.474 -7.211 1.00 0.20 N ATOM 43 C8 DG A 2 5.389 2.422 -6.129 1.00 0.22 C ATOM 44 N7 DG A 2 4.774 2.378 -4.982 1.00 0.21 N ATOM 45 C5 DG A 2 3.427 2.405 -5.323 1.00 0.18 C ATOM 46 C6 DG A 2 2.277 2.379 -4.487 1.00 0.17 C ATOM 47 O6 DG A 2 2.227 2.328 -3.262 1.00 0.22 O ATOM 48 N1 DG A 2 1.107 2.420 -5.229 1.00 0.15 N ATOM 49 C2 DG A 2 1.044 2.479 -6.603 1.00 0.14 C ATOM 50 N2 DG A 2 -0.178 2.507 -7.134 1.00 0.14 N ATOM 51 N3 DG A 2 2.122 2.505 -7.392 1.00 0.15 N ATOM 52 C4 DG A 2 3.277 2.464 -6.687 1.00 0.17 C ATOM 0 H5' DG A 2 3.175 5.624 -10.567 1.00 0.21 H new ATOM 0 H5'' DG A 2 2.609 4.367 -11.650 1.00 0.21 H new ATOM 0 H4' DG A 2 5.033 4.309 -11.147 1.00 0.19 H new ATOM 0 H3' DG A 2 3.480 2.100 -11.590 1.00 0.17 H new ATOM 0 H2' DG A 2 3.052 1.573 -9.238 1.00 0.18 H new ATOM 0 H2'' DG A 2 4.472 0.601 -9.571 1.00 0.18 H new ATOM 0 H1' DG A 2 5.954 2.176 -8.697 1.00 0.21 H new ATOM 0 H8 DG A 2 6.465 2.418 -6.218 1.00 0.22 H new ATOM 0 H1 DG A 2 0.225 2.405 -4.718 1.00 0.15 H new ATOM 0 H21 DG A 2 -0.293 2.551 -8.147 1.00 0.14 H new ATOM 0 H22 DG A 2 -0.998 2.485 -6.528 1.00 0.14 H new ATOM 64 P DG A 3 5.786 0.438 -11.946 1.00 0.22 P ATOM 65 OP1 DG A 3 6.782 0.456 -13.040 1.00 0.30 O ATOM 66 OP2 DG A 3 4.478 -0.222 -12.152 1.00 0.28 O ATOM 67 O5' DG A 3 6.479 -0.215 -10.647 1.00 0.21 O ATOM 68 C5' DG A 3 7.866 0.008 -10.362 1.00 0.18 C ATOM 69 C4' DG A 3 8.308 -0.773 -9.127 1.00 0.22 C ATOM 70 O4' DG A 3 7.384 -0.533 -8.060 1.00 0.25 O ATOM 71 C3' DG A 3 8.372 -2.285 -9.348 1.00 0.24 C ATOM 72 O3' DG A 3 9.568 -2.807 -8.758 1.00 0.30 O ATOM 73 C2' DG A 3 7.154 -2.826 -8.614 1.00 0.23 C ATOM 74 C1' DG A 3 6.952 -1.786 -7.525 1.00 0.22 C ATOM 75 N9 DG A 3 5.547 -1.636 -7.099 1.00 0.19 N ATOM 76 C8 DG A 3 4.437 -1.427 -7.876 1.00 0.20 C ATOM 77 N7 DG A 3 3.325 -1.350 -7.201 1.00 0.19 N ATOM 78 C5 DG A 3 3.724 -1.520 -5.879 1.00 0.18 C ATOM 79 C6 DG A 3 2.946 -1.534 -4.689 1.00 0.18 C ATOM 80 O6 DG A 3 1.730 -1.394 -4.572 1.00 0.19 O ATOM 81 N1 DG A 3 3.738 -1.736 -3.566 1.00 0.18 N ATOM 82 C2 DG A 3 5.107 -1.903 -3.582 1.00 0.19 C ATOM 83 N2 DG A 3 5.694 -2.083 -2.400 1.00 0.22 N ATOM 84 N3 DG A 3 5.840 -1.891 -4.700 1.00 0.19 N ATOM 85 C4 DG A 3 5.084 -1.695 -5.806 1.00 0.18 C ATOM 0 H5' DG A 3 8.041 1.072 -10.204 1.00 0.18 H new ATOM 0 H5'' DG A 3 8.469 -0.291 -11.220 1.00 0.18 H new ATOM 0 H4' DG A 3 9.314 -0.425 -8.892 1.00 0.22 H new ATOM 0 H3' DG A 3 8.379 -2.558 -10.403 1.00 0.24 H new ATOM 0 H2' DG A 3 6.286 -2.905 -9.268 1.00 0.23 H new ATOM 0 H2'' DG A 3 7.334 -3.819 -8.201 1.00 0.23 H new ATOM 0 H1' DG A 3 7.516 -2.107 -6.649 1.00 0.22 H new ATOM 0 H8 DG A 3 4.480 -1.334 -8.951 1.00 0.20 H new ATOM 0 H1 DG A 3 3.271 -1.763 -2.660 1.00 0.18 H new ATOM 0 H21 DG A 3 6.704 -2.212 -2.347 1.00 0.22 H new ATOM 0 H22 DG A 3 5.133 -2.092 -1.548 1.00 0.22 H new ATOM 97 P DG A 4 9.931 -4.370 -8.898 1.00 0.34 P ATOM 98 OP1 DG A 4 11.388 -4.490 -9.129 1.00 0.42 O ATOM 99 OP2 DG A 4 8.980 -4.981 -9.852 1.00 0.32 O ATOM 100 O5' DG A 4 9.605 -4.941 -7.428 1.00 0.39 O ATOM 101 C5' DG A 4 10.462 -4.629 -6.325 1.00 0.42 C ATOM 102 C4' DG A 4 9.955 -5.254 -5.029 1.00 0.44 C ATOM 103 O4' DG A 4 8.627 -4.790 -4.761 1.00 0.39 O ATOM 104 C3' DG A 4 9.902 -6.787 -5.056 1.00 0.47 C ATOM 105 O3' DG A 4 10.504 -7.303 -3.863 1.00 0.52 O ATOM 106 C2' DG A 4 8.413 -7.111 -5.064 1.00 0.43 C ATOM 107 C1' DG A 4 7.845 -5.904 -4.344 1.00 0.40 C ATOM 108 N9 DG A 4 6.435 -5.616 -4.660 1.00 0.33 N ATOM 109 C8 DG A 4 5.867 -5.323 -5.873 1.00 0.29 C ATOM 110 N7 DG A 4 4.581 -5.119 -5.818 1.00 0.25 N ATOM 111 C5 DG A 4 4.272 -5.289 -4.472 1.00 0.24 C ATOM 112 C6 DG A 4 3.021 -5.191 -3.804 1.00 0.21 C ATOM 113 O6 DG A 4 1.919 -4.932 -4.284 1.00 0.21 O ATOM 114 N1 DG A 4 3.150 -5.435 -2.443 1.00 0.21 N ATOM 115 C2 DG A 4 4.334 -5.736 -1.803 1.00 0.27 C ATOM 116 N2 DG A 4 4.264 -5.939 -0.489 1.00 0.29 N ATOM 117 N3 DG A 4 5.510 -5.829 -2.430 1.00 0.30 N ATOM 118 C4 DG A 4 5.402 -5.593 -3.757 1.00 0.29 C ATOM 0 H5' DG A 4 10.527 -3.547 -6.208 1.00 0.42 H new ATOM 0 H5'' DG A 4 11.470 -4.988 -6.533 1.00 0.42 H new ATOM 0 H4' DG A 4 10.667 -4.954 -4.260 1.00 0.44 H new ATOM 0 H3' DG A 4 10.429 -7.217 -5.908 1.00 0.47 H new ATOM 0 H2' DG A 4 8.019 -7.210 -6.075 1.00 0.43 H new ATOM 0 H2'' DG A 4 8.192 -8.043 -4.543 1.00 0.43 H new ATOM 0 H1' DG A 4 7.881 -6.102 -3.273 1.00 0.40 H new ATOM 0 H8 DG A 4 6.434 -5.266 -6.791 1.00 0.29 H new ATOM 0 H1 DG A 4 2.305 -5.388 -1.874 1.00 0.21 H new ATOM 0 H21 DG A 4 5.108 -6.165 0.038 1.00 0.29 H new ATOM 0 H22 DG A 4 3.367 -5.868 -0.009 1.00 0.29 H new ATOM 130 P DI A 5 10.473 -8.881 -3.538 1.00 0.56 P ATOM 131 OP1 DI A 5 11.453 -9.154 -2.464 1.00 0.65 O ATOM 132 OP2 DI A 5 10.558 -9.618 -4.819 1.00 0.57 O ATOM 133 O5' DI A 5 8.993 -9.089 -2.937 1.00 0.50 O ATOM 134 C5' DI A 5 8.599 -8.421 -1.734 1.00 0.49 C ATOM 135 C4' DI A 5 7.092 -8.511 -1.511 1.00 0.41 C ATOM 136 O4' DI A 5 6.408 -8.103 -2.700 1.00 0.36 O ATOM 137 C3' DI A 5 6.596 -9.919 -1.160 1.00 0.39 C ATOM 138 O3' DI A 5 5.769 -9.853 0.008 1.00 0.37 O ATOM 139 C2' DI A 5 5.758 -10.341 -2.363 1.00 0.36 C ATOM 140 C1' DI A 5 5.323 -8.999 -2.921 1.00 0.32 C ATOM 141 N9 DI A 5 5.031 -9.010 -4.367 1.00 0.32 N ATOM 142 C8 DI A 5 5.796 -9.506 -5.391 1.00 0.38 C ATOM 143 N7 DI A 5 5.256 -9.366 -6.569 1.00 0.42 N ATOM 144 C5 DI A 5 4.046 -8.731 -6.310 1.00 0.37 C ATOM 145 C6 DI A 5 3.024 -8.319 -7.208 1.00 0.41 C ATOM 146 O6 DI A 5 2.987 -8.436 -8.431 1.00 0.50 O ATOM 147 N1 DI A 5 1.975 -7.719 -6.532 1.00 0.36 N ATOM 148 C2 DI A 5 1.921 -7.542 -5.167 1.00 0.30 C ATOM 149 N3 DI A 5 2.861 -7.918 -4.318 1.00 0.27 N ATOM 150 C4 DI A 5 3.899 -8.509 -4.962 1.00 0.30 C ATOM 0 H5'' DI A 5 9.120 -8.862 -0.884 1.00 0.49 H new ATOM 0 H2'' DI A 5 6.338 -10.916 -3.085 1.00 0.36 H new ATOM 0 H8 DI A 5 6.767 -9.975 -5.234 1.00 0.38 H new ATOM 0 H5' DI A 5 8.899 -7.374 -1.783 1.00 0.49 H new ATOM 0 H4' DI A 5 6.881 -7.860 -0.663 1.00 0.41 H new ATOM 0 H3' DI A 5 7.409 -10.615 -0.955 1.00 0.39 H new ATOM 0 H2' DI A 5 4.908 -10.959 -2.073 1.00 0.36 H new ATOM 0 H2 DI A 5 1.036 -7.055 -4.756 1.00 0.30 H new ATOM 0 H1' DI A 5 4.397 -8.713 -2.423 1.00 0.32 H new ATOM 0 H1 DI A 5 1.186 -7.384 -7.084 1.00 0.36 H new ATOM 161 P DA A 6 5.089 -11.182 0.612 1.00 0.36 P ATOM 162 OP1 DA A 6 4.839 -10.961 2.053 1.00 0.41 O ATOM 163 OP2 DA A 6 5.884 -12.350 0.172 1.00 0.41 O ATOM 164 O5' DA A 6 3.667 -11.228 -0.144 1.00 0.33 O ATOM 165 C5' DA A 6 2.627 -10.311 0.209 1.00 0.29 C ATOM 166 C4' DA A 6 1.428 -10.432 -0.730 1.00 0.27 C ATOM 167 O4' DA A 6 1.858 -10.248 -2.085 1.00 0.29 O ATOM 168 C3' DA A 6 0.727 -11.785 -0.674 1.00 0.28 C ATOM 169 O3' DA A 6 -0.348 -11.734 0.270 1.00 0.26 O ATOM 170 C2' DA A 6 0.174 -11.938 -2.080 1.00 0.28 C ATOM 171 C1' DA A 6 1.246 -11.246 -2.914 1.00 0.28 C ATOM 172 N9 DA A 6 2.313 -12.146 -3.397 1.00 0.30 N ATOM 173 C8 DA A 6 3.232 -12.864 -2.673 1.00 0.36 C ATOM 174 N7 DA A 6 4.049 -13.566 -3.406 1.00 0.40 N ATOM 175 C5 DA A 6 3.645 -13.295 -4.710 1.00 0.36 C ATOM 176 C6 DA A 6 4.112 -13.734 -5.959 1.00 0.40 C ATOM 177 N6 DA A 6 5.135 -14.577 -6.101 1.00 0.46 N ATOM 178 N1 DA A 6 3.482 -13.269 -7.051 1.00 0.39 N ATOM 179 C2 DA A 6 2.464 -12.429 -6.902 1.00 0.37 C ATOM 180 N3 DA A 6 1.935 -11.945 -5.789 1.00 0.32 N ATOM 181 C4 DA A 6 2.588 -12.431 -4.712 1.00 0.31 C ATOM 0 H5' DA A 6 3.013 -9.292 0.177 1.00 0.29 H new ATOM 0 H5'' DA A 6 2.308 -10.499 1.234 1.00 0.29 H new ATOM 0 H4' DA A 6 0.725 -9.667 -0.399 1.00 0.27 H new ATOM 0 H3' DA A 6 1.380 -12.604 -0.372 1.00 0.28 H new ATOM 0 H2' DA A 6 0.051 -12.984 -2.359 1.00 0.28 H new ATOM 0 H2'' DA A 6 -0.800 -11.462 -2.190 1.00 0.28 H new ATOM 0 H1' DA A 6 0.753 -10.839 -3.797 1.00 0.28 H new ATOM 0 H8 DA A 6 3.274 -12.848 -1.594 1.00 0.36 H new ATOM 0 H61 DA A 6 5.434 -14.864 -7.033 1.00 0.46 H new ATOM 0 H62 DA A 6 5.619 -14.935 -5.278 1.00 0.46 H new ATOM 0 H2 DA A 6 2.002 -12.093 -7.819 1.00 0.37 H new ATOM 193 P DG A 7 -0.919 -13.088 0.930 1.00 0.30 P ATOM 194 OP1 DG A 7 0.211 -13.806 1.564 1.00 0.47 O ATOM 195 OP2 DG A 7 -1.758 -13.777 -0.076 1.00 0.41 O ATOM 196 O5' DG A 7 -1.881 -12.535 2.097 1.00 0.28 O ATOM 197 C5' DG A 7 -1.533 -11.350 2.815 1.00 0.25 C ATOM 198 C4' DG A 7 -2.141 -10.109 2.170 1.00 0.19 C ATOM 199 O4' DG A 7 -1.954 -10.171 0.764 1.00 0.20 O ATOM 200 C3' DG A 7 -3.646 -9.958 2.404 1.00 0.19 C ATOM 201 O3' DG A 7 -3.877 -8.934 3.378 1.00 0.16 O ATOM 202 C2' DG A 7 -4.221 -9.518 1.055 1.00 0.23 C ATOM 203 C1' DG A 7 -2.995 -9.420 0.150 1.00 0.19 C ATOM 204 N9 DG A 7 -3.209 -9.982 -1.194 1.00 0.20 N ATOM 205 C8 DG A 7 -3.755 -11.190 -1.535 1.00 0.25 C ATOM 206 N7 DG A 7 -3.808 -11.403 -2.819 1.00 0.28 N ATOM 207 C5 DG A 7 -3.258 -10.251 -3.372 1.00 0.25 C ATOM 208 C6 DG A 7 -3.050 -9.905 -4.736 1.00 0.27 C ATOM 209 O6 DG A 7 -3.319 -10.561 -5.739 1.00 0.34 O ATOM 210 N1 DG A 7 -2.467 -8.650 -4.858 1.00 0.25 N ATOM 211 C2 DG A 7 -2.125 -7.829 -3.804 1.00 0.22 C ATOM 212 N2 DG A 7 -1.574 -6.658 -4.121 1.00 0.24 N ATOM 213 N3 DG A 7 -2.319 -8.153 -2.522 1.00 0.21 N ATOM 214 C4 DG A 7 -2.887 -9.374 -2.383 1.00 0.21 C ATOM 0 H5' DG A 7 -0.448 -11.249 2.850 1.00 0.25 H new ATOM 0 H5'' DG A 7 -1.879 -11.433 3.845 1.00 0.25 H new ATOM 0 H4' DG A 7 -1.635 -9.262 2.633 1.00 0.19 H new ATOM 0 H3' DG A 7 -4.101 -10.880 2.765 1.00 0.19 H new ATOM 0 H2' DG A 7 -4.943 -10.240 0.673 1.00 0.23 H new ATOM 0 H2'' DG A 7 -4.738 -8.561 1.133 1.00 0.23 H new ATOM 0 H1' DG A 7 -2.760 -8.363 0.029 1.00 0.19 H new ATOM 0 H8 DG A 7 -4.110 -11.902 -0.805 1.00 0.25 H new ATOM 0 H1 DG A 7 -2.277 -8.309 -5.800 1.00 0.25 H new ATOM 0 H21 DG A 7 -1.300 -6.008 -3.385 1.00 0.24 H new ATOM 0 H22 DG A 7 -1.427 -6.412 -5.100 1.00 0.24 H new ATOM 226 P DG A 8 -3.281 -7.455 3.158 1.00 0.16 P ATOM 227 OP1 DG A 8 -4.241 -6.683 2.339 1.00 0.23 O ATOM 228 OP2 DG A 8 -1.876 -7.591 2.716 1.00 0.19 O ATOM 229 O5' DG A 8 -3.285 -6.844 4.648 1.00 0.18 O ATOM 230 C5' DG A 8 -2.503 -7.443 5.684 1.00 0.21 C ATOM 231 C4' DG A 8 -1.060 -6.941 5.675 1.00 0.20 C ATOM 232 O4' DG A 8 -0.431 -7.278 4.429 1.00 0.19 O ATOM 233 C3' DG A 8 -0.926 -5.419 5.846 1.00 0.19 C ATOM 234 O3' DG A 8 0.012 -5.129 6.893 1.00 0.22 O ATOM 235 C2' DG A 8 -0.364 -4.938 4.513 1.00 0.16 C ATOM 236 C1' DG A 8 0.383 -6.174 4.051 1.00 0.16 C ATOM 237 N9 DG A 8 0.642 -6.238 2.597 1.00 0.16 N ATOM 238 C8 DG A 8 1.813 -6.570 1.966 1.00 0.19 C ATOM 239 N7 DG A 8 1.757 -6.495 0.669 1.00 0.20 N ATOM 240 C5 DG A 8 0.456 -6.084 0.410 1.00 0.17 C ATOM 241 C6 DG A 8 -0.182 -5.831 -0.833 1.00 0.17 C ATOM 242 O6 DG A 8 0.295 -5.909 -1.963 1.00 0.21 O ATOM 243 N1 DG A 8 -1.501 -5.439 -0.657 1.00 0.15 N ATOM 244 C2 DG A 8 -2.130 -5.304 0.563 1.00 0.15 C ATOM 245 N2 DG A 8 -3.407 -4.923 0.529 1.00 0.17 N ATOM 246 N3 DG A 8 -1.529 -5.537 1.734 1.00 0.15 N ATOM 247 C4 DG A 8 -0.240 -5.924 1.583 1.00 0.14 C ATOM 0 H5' DG A 8 -2.511 -8.526 5.564 1.00 0.21 H new ATOM 0 H5'' DG A 8 -2.956 -7.227 6.651 1.00 0.21 H new ATOM 0 H4' DG A 8 -0.584 -7.426 6.527 1.00 0.20 H new ATOM 0 H3' DG A 8 -1.871 -4.942 6.105 1.00 0.19 H new ATOM 0 H2' DG A 8 -1.149 -4.646 3.816 1.00 0.16 H new ATOM 0 H2'' DG A 8 0.295 -4.078 4.630 1.00 0.16 H new ATOM 0 H1' DG A 8 1.372 -6.169 4.510 1.00 0.16 H new ATOM 0 H8 DG A 8 2.704 -6.868 2.499 1.00 0.19 H new ATOM 0 H1 DG A 8 -2.047 -5.235 -1.494 1.00 0.15 H new ATOM 0 H21 DG A 8 -3.927 -4.805 1.398 1.00 0.17 H new ATOM 0 H22 DG A 8 -3.864 -4.749 -0.366 1.00 0.17 H new ATOM 259 P DG A 9 0.286 -3.607 7.349 1.00 0.25 P ATOM 260 OP1 DG A 9 -0.002 -3.498 8.797 1.00 0.35 O ATOM 261 OP2 DG A 9 -0.401 -2.708 6.394 1.00 0.29 O ATOM 262 O5' DG A 9 1.877 -3.443 7.139 1.00 0.21 O ATOM 263 C5' DG A 9 2.446 -3.516 5.829 1.00 0.18 C ATOM 264 C4' DG A 9 3.945 -3.229 5.836 1.00 0.18 C ATOM 265 O4' DG A 9 4.498 -3.569 4.560 1.00 0.18 O ATOM 266 C3' DG A 9 4.290 -1.769 6.090 1.00 0.18 C ATOM 267 O3' DG A 9 5.560 -1.678 6.747 1.00 0.23 O ATOM 268 C2' DG A 9 4.391 -1.195 4.689 1.00 0.16 C ATOM 269 C1' DG A 9 4.968 -2.375 3.921 1.00 0.16 C ATOM 270 N9 DG A 9 4.555 -2.427 2.506 1.00 0.15 N ATOM 271 C8 DG A 9 5.342 -2.497 1.386 1.00 0.15 C ATOM 272 N7 DG A 9 4.672 -2.497 0.267 1.00 0.18 N ATOM 273 C5 DG A 9 3.343 -2.424 0.673 1.00 0.18 C ATOM 274 C6 DG A 9 2.156 -2.391 -0.106 1.00 0.22 C ATOM 275 O6 DG A 9 2.046 -2.416 -1.331 1.00 0.24 O ATOM 276 N1 DG A 9 1.023 -2.318 0.693 1.00 0.24 N ATOM 277 C2 DG A 9 1.029 -2.280 2.071 1.00 0.22 C ATOM 278 N2 DG A 9 -0.164 -2.212 2.664 1.00 0.27 N ATOM 279 N3 DG A 9 2.145 -2.310 2.807 1.00 0.19 N ATOM 280 C4 DG A 9 3.261 -2.381 2.043 1.00 0.17 C ATOM 0 H5' DG A 9 1.944 -2.802 5.176 1.00 0.18 H new ATOM 0 H5'' DG A 9 2.269 -4.508 5.413 1.00 0.18 H new ATOM 0 H4' DG A 9 4.357 -3.825 6.650 1.00 0.18 H new ATOM 0 H3' DG A 9 3.566 -1.253 6.720 1.00 0.18 H new ATOM 0 H2' DG A 9 3.420 -0.887 4.300 1.00 0.16 H new ATOM 0 H2'' DG A 9 5.042 -0.321 4.649 1.00 0.16 H new ATOM 0 H1' DG A 9 6.053 -2.273 3.931 1.00 0.16 H new ATOM 0 H8 DG A 9 6.420 -2.548 1.426 1.00 0.15 H new ATOM 0 H1 DG A 9 0.117 -2.290 0.225 1.00 0.24 H new ATOM 0 H21 DG A 9 -0.227 -2.181 3.682 1.00 0.27 H new ATOM 0 H22 DG A 9 -1.013 -2.191 2.100 1.00 0.27 H new ATOM 292 P DG A 10 6.149 -0.246 7.193 1.00 0.27 P ATOM 293 OP1 DG A 10 7.264 -0.474 8.138 1.00 0.35 O ATOM 294 OP2 DG A 10 5.013 0.618 7.589 1.00 0.28 O ATOM 295 O5' DG A 10 6.763 0.331 5.821 1.00 0.28 O ATOM 296 C5' DG A 10 8.065 -0.068 5.379 1.00 0.29 C ATOM 297 C4' DG A 10 8.516 0.741 4.165 1.00 0.25 C ATOM 298 O4' DG A 10 7.605 0.523 3.082 1.00 0.23 O ATOM 299 C3' DG A 10 8.572 2.250 4.417 1.00 0.23 C ATOM 300 O3' DG A 10 9.806 2.782 3.928 1.00 0.23 O ATOM 301 C2' DG A 10 7.417 2.815 3.604 1.00 0.22 C ATOM 302 C1' DG A 10 7.288 1.784 2.499 1.00 0.22 C ATOM 303 N9 DG A 10 5.932 1.695 1.936 1.00 0.21 N ATOM 304 C8 DG A 10 4.738 1.630 2.602 1.00 0.21 C ATOM 305 N7 DG A 10 3.699 1.584 1.821 1.00 0.21 N ATOM 306 C5 DG A 10 4.240 1.622 0.542 1.00 0.20 C ATOM 307 C6 DG A 10 3.588 1.604 -0.719 1.00 0.20 C ATOM 308 O6 DG A 10 2.382 1.551 -0.952 1.00 0.22 O ATOM 309 N1 DG A 10 4.502 1.660 -1.762 1.00 0.20 N ATOM 310 C2 DG A 10 5.872 1.726 -1.614 1.00 0.20 C ATOM 311 N2 DG A 10 6.587 1.774 -2.739 1.00 0.22 N ATOM 312 N3 DG A 10 6.487 1.742 -0.428 1.00 0.20 N ATOM 313 C4 DG A 10 5.609 1.688 0.601 1.00 0.20 C ATOM 0 H5' DG A 10 8.056 -1.129 5.128 1.00 0.29 H new ATOM 0 H5'' DG A 10 8.781 0.061 6.190 1.00 0.29 H new ATOM 0 H4' DG A 10 9.525 0.399 3.936 1.00 0.25 H new ATOM 0 H3' DG A 10 8.504 2.497 5.477 1.00 0.23 H new ATOM 0 H2' DG A 10 6.504 2.900 4.194 1.00 0.22 H new ATOM 0 H2'' DG A 10 7.638 3.808 3.214 1.00 0.22 H new ATOM 0 H1' DG A 10 7.952 2.071 1.683 1.00 0.22 H new ATOM 0 H8 DG A 10 4.665 1.618 3.679 1.00 0.21 H new ATOM 0 H1 DG A 10 4.132 1.652 -2.712 1.00 0.20 H new ATOM 0 H21 DG A 10 7.605 1.824 -2.695 1.00 0.22 H new ATOM 0 H22 DG A 10 6.116 1.761 -3.644 1.00 0.22 H new ATOM 325 P DC A 11 10.004 4.376 3.814 1.00 0.27 P ATOM 326 OP1 DC A 11 9.466 4.819 2.508 1.00 0.32 O ATOM 327 OP2 DC A 11 11.400 4.698 4.186 1.00 0.38 O ATOM 328 O5' DC A 11 9.032 4.925 4.974 1.00 0.29 O ATOM 329 C5' DC A 11 9.261 6.195 5.586 1.00 0.34 C ATOM 330 C4' DC A 11 8.536 7.322 4.850 1.00 0.31 C ATOM 331 O4' DC A 11 9.086 7.496 3.556 1.00 0.41 O ATOM 332 C3' DC A 11 7.046 7.079 4.635 1.00 0.30 C ATOM 333 O3' DC A 11 6.302 7.730 5.672 1.00 0.33 O ATOM 334 C2' DC A 11 6.739 7.740 3.284 1.00 0.42 C ATOM 335 C1' DC A 11 8.113 8.204 2.794 1.00 0.46 C ATOM 336 N1 DC A 11 8.370 7.930 1.368 1.00 0.62 N ATOM 337 C2 DC A 11 8.153 8.963 0.471 1.00 0.81 C ATOM 338 O2 DC A 11 7.760 10.056 0.875 1.00 0.82 O ATOM 339 N3 DC A 11 8.385 8.732 -0.850 1.00 0.98 N ATOM 340 C4 DC A 11 8.814 7.535 -1.273 1.00 0.97 C ATOM 341 N4 DC A 11 9.032 7.341 -2.574 1.00 1.17 N ATOM 342 C5 DC A 11 9.041 6.466 -0.350 1.00 0.78 C ATOM 343 C6 DC A 11 8.807 6.706 0.955 1.00 0.62 C ATOM 0 H5' DC A 11 10.331 6.402 5.603 1.00 0.34 H new ATOM 0 H5'' DC A 11 8.926 6.164 6.623 1.00 0.34 H new ATOM 0 H4' DC A 11 8.665 8.192 5.494 1.00 0.31 H new ATOM 0 H3' DC A 11 6.785 6.021 4.651 1.00 0.30 H new ATOM 0 H2' DC A 11 6.281 7.037 2.588 1.00 0.42 H new ATOM 0 H2'' DC A 11 6.048 8.576 3.394 1.00 0.42 H new ATOM 0 H1' DC A 11 8.157 9.286 2.917 1.00 0.46 H new ATOM 0 H41 DC A 11 9.359 6.434 -2.907 1.00 1.17 H new ATOM 0 H42 DC A 11 8.872 8.100 -3.237 1.00 1.17 H new ATOM 0 H5 DC A 11 9.388 5.500 -0.687 1.00 0.78 H new ATOM 0 H6 DC A 11 8.967 5.922 1.680 1.00 0.62 H new ATOM 355 P DT A 12 5.777 6.901 6.950 1.00 0.26 P ATOM 356 OP1 DT A 12 5.747 7.811 8.116 1.00 0.34 O ATOM 357 OP2 DT A 12 6.536 5.634 7.023 1.00 0.25 O ATOM 358 O5' DT A 12 4.257 6.554 6.544 1.00 0.24 O ATOM 359 C5' DT A 12 3.872 5.209 6.249 1.00 0.27 C ATOM 360 C4' DT A 12 2.485 5.148 5.615 1.00 0.27 C ATOM 361 O4' DT A 12 2.488 5.883 4.397 1.00 0.24 O ATOM 362 C3' DT A 12 2.022 3.729 5.277 1.00 0.32 C ATOM 363 O3' DT A 12 0.969 3.346 6.168 1.00 0.38 O ATOM 364 C2' DT A 12 1.483 3.811 3.845 1.00 0.30 C ATOM 365 C1' DT A 12 1.519 5.304 3.534 1.00 0.26 C ATOM 366 N1 DT A 12 1.918 5.614 2.149 1.00 0.25 N ATOM 367 C2 DT A 12 1.005 6.269 1.345 1.00 0.27 C ATOM 368 O2 DT A 12 -0.115 6.585 1.738 1.00 0.30 O ATOM 369 N3 DT A 12 1.423 6.534 0.056 1.00 0.28 N ATOM 370 C4 DT A 12 2.649 6.209 -0.490 1.00 0.26 C ATOM 371 O4 DT A 12 2.912 6.496 -1.655 1.00 0.28 O ATOM 372 C5 DT A 12 3.534 5.527 0.420 1.00 0.26 C ATOM 373 C7 DT A 12 4.912 5.092 -0.065 1.00 0.28 C ATOM 374 C6 DT A 12 3.155 5.256 1.685 1.00 0.27 C ATOM 0 H5' DT A 12 3.880 4.618 7.165 1.00 0.27 H new ATOM 0 H5'' DT A 12 4.601 4.761 5.574 1.00 0.27 H new ATOM 0 H4' DT A 12 1.803 5.563 6.357 1.00 0.27 H new ATOM 0 H3' DT A 12 2.826 2.999 5.371 1.00 0.32 H new ATOM 0 H2' DT A 12 2.101 3.242 3.151 1.00 0.30 H new ATOM 0 H2'' DT A 12 0.472 3.411 3.774 1.00 0.30 H new ATOM 0 H1' DT A 12 0.511 5.696 3.673 1.00 0.26 H new ATOM 0 H3 DT A 12 0.762 7.017 -0.552 1.00 0.28 H new ATOM 0 H71 DT A 12 5.611 5.099 0.771 1.00 0.28 H new ATOM 0 H72 DT A 12 4.851 4.085 -0.478 1.00 0.28 H new ATOM 0 H73 DT A 12 5.261 5.780 -0.835 1.00 0.28 H new ATOM 0 H6 DT A 12 3.841 4.746 2.345 1.00 0.27 H new ATOM 387 P DG A 13 0.452 1.821 6.206 1.00 0.45 P ATOM 388 OP1 DG A 13 0.394 1.385 7.620 1.00 0.56 O ATOM 389 OP2 DG A 13 1.243 1.040 5.227 1.00 0.48 O ATOM 390 O5' DG A 13 -1.056 1.939 5.653 1.00 0.39 O ATOM 391 C5' DG A 13 -2.104 2.421 6.498 1.00 0.40 C ATOM 392 C4' DG A 13 -3.470 1.916 6.039 1.00 0.36 C ATOM 393 O4' DG A 13 -3.738 2.388 4.710 1.00 0.31 O ATOM 394 C3' DG A 13 -3.581 0.389 5.998 1.00 0.38 C ATOM 395 O3' DG A 13 -4.891 -0.003 6.434 1.00 0.39 O ATOM 396 C2' DG A 13 -3.402 0.068 4.525 1.00 0.34 C ATOM 397 C1' DG A 13 -4.097 1.265 3.904 1.00 0.29 C ATOM 398 N9 DG A 13 -3.703 1.552 2.510 1.00 0.28 N ATOM 399 C8 DG A 13 -4.509 1.801 1.430 1.00 0.30 C ATOM 400 N7 DG A 13 -3.858 2.004 0.318 1.00 0.32 N ATOM 401 C5 DG A 13 -2.522 1.883 0.686 1.00 0.30 C ATOM 402 C6 DG A 13 -1.348 2.004 -0.105 1.00 0.32 C ATOM 403 O6 DG A 13 -1.258 2.243 -1.307 1.00 0.36 O ATOM 404 N1 DG A 13 -0.201 1.809 0.654 1.00 0.30 N ATOM 405 C2 DG A 13 -0.187 1.534 2.006 1.00 0.29 C ATOM 406 N2 DG A 13 1.011 1.380 2.563 1.00 0.31 N ATOM 407 N3 DG A 13 -1.290 1.422 2.750 1.00 0.28 N ATOM 408 C4 DG A 13 -2.417 1.608 2.027 1.00 0.28 C ATOM 0 H5' DG A 13 -2.100 3.511 6.499 1.00 0.40 H new ATOM 0 H5'' DG A 13 -1.922 2.100 7.524 1.00 0.40 H new ATOM 0 H4' DG A 13 -4.183 2.295 6.771 1.00 0.36 H new ATOM 0 H3' DG A 13 -2.860 -0.122 6.636 1.00 0.38 H new ATOM 0 H2' DG A 13 -2.353 0.001 4.238 1.00 0.34 H new ATOM 0 H2'' DG A 13 -3.870 -0.876 4.245 1.00 0.34 H new ATOM 0 H1' DG A 13 -5.166 1.055 3.871 1.00 0.29 H new ATOM 0 H8 DG A 13 -5.587 1.827 1.494 1.00 0.30 H new ATOM 0 H1 DG A 13 0.698 1.874 0.176 1.00 0.30 H new ATOM 0 H21 DG A 13 1.088 1.175 3.559 1.00 0.31 H new ATOM 0 H22 DG A 13 1.853 1.467 1.994 1.00 0.31 H new ATOM 420 P DG A 14 -5.374 -1.538 6.334 1.00 0.39 P ATOM 421 OP1 DG A 14 -6.421 -1.765 7.356 1.00 0.42 O ATOM 422 OP2 DG A 14 -4.172 -2.401 6.308 1.00 0.42 O ATOM 423 O5' DG A 14 -6.068 -1.598 4.881 1.00 0.37 O ATOM 424 C5' DG A 14 -7.380 -1.063 4.676 1.00 0.35 C ATOM 425 C4' DG A 14 -7.881 -1.334 3.259 1.00 0.32 C ATOM 426 O4' DG A 14 -6.867 -0.971 2.313 1.00 0.28 O ATOM 427 C3' DG A 14 -8.231 -2.798 2.996 1.00 0.33 C ATOM 428 O3' DG A 14 -9.372 -2.867 2.132 1.00 0.34 O ATOM 429 C2' DG A 14 -7.004 -3.334 2.281 1.00 0.30 C ATOM 430 C1' DG A 14 -6.571 -2.108 1.495 1.00 0.28 C ATOM 431 N9 DG A 14 -5.133 -2.076 1.177 1.00 0.27 N ATOM 432 C8 DG A 14 -4.068 -2.290 2.011 1.00 0.30 C ATOM 433 N7 DG A 14 -2.907 -2.197 1.422 1.00 0.28 N ATOM 434 C5 DG A 14 -3.226 -1.898 0.101 1.00 0.20 C ATOM 435 C6 DG A 14 -2.373 -1.683 -1.015 1.00 0.17 C ATOM 436 O6 DG A 14 -1.145 -1.712 -1.054 1.00 0.20 O ATOM 437 N1 DG A 14 -3.100 -1.411 -2.167 1.00 0.14 N ATOM 438 C2 DG A 14 -4.476 -1.352 -2.238 1.00 0.12 C ATOM 439 N2 DG A 14 -4.996 -1.077 -3.435 1.00 0.15 N ATOM 440 N3 DG A 14 -5.280 -1.555 -1.190 1.00 0.15 N ATOM 441 C4 DG A 14 -4.588 -1.823 -0.058 1.00 0.19 C ATOM 0 H5' DG A 14 -7.368 0.011 4.859 1.00 0.35 H new ATOM 0 H5'' DG A 14 -8.070 -1.502 5.397 1.00 0.35 H new ATOM 0 H4' DG A 14 -8.789 -0.740 3.151 1.00 0.32 H new ATOM 0 H3' DG A 14 -8.473 -3.356 3.900 1.00 0.33 H new ATOM 0 H2' DG A 14 -6.235 -3.671 2.976 1.00 0.30 H new ATOM 0 H2'' DG A 14 -7.240 -4.178 1.633 1.00 0.30 H new ATOM 0 H1' DG A 14 -7.100 -2.118 0.542 1.00 0.28 H new ATOM 0 H8 DG A 14 -4.179 -2.515 3.061 1.00 0.30 H new ATOM 0 H1 DG A 14 -2.576 -1.242 -3.026 1.00 0.14 H new ATOM 0 H21 DG A 14 -6.008 -1.020 -3.551 1.00 0.15 H new ATOM 0 H22 DG A 14 -4.382 -0.924 -4.235 1.00 0.15 H new ATOM 453 P DG A 15 -9.944 -4.289 1.641 1.00 0.36 P ATOM 454 OP1 DG A 15 -11.376 -4.366 2.006 1.00 0.45 O ATOM 455 OP2 DG A 15 -9.010 -5.344 2.093 1.00 0.40 O ATOM 456 O5' DG A 15 -9.838 -4.178 0.037 1.00 0.36 O ATOM 457 C5' DG A 15 -10.761 -3.371 -0.703 1.00 0.34 C ATOM 458 C4' DG A 15 -10.526 -3.491 -2.206 1.00 0.27 C ATOM 459 O4' DG A 15 -9.158 -3.179 -2.503 1.00 0.26 O ATOM 460 C3' DG A 15 -10.798 -4.891 -2.761 1.00 0.26 C ATOM 461 O3' DG A 15 -11.462 -4.785 -4.026 1.00 0.26 O ATOM 462 C2' DG A 15 -9.413 -5.482 -2.959 1.00 0.25 C ATOM 463 C1' DG A 15 -8.609 -4.239 -3.288 1.00 0.22 C ATOM 464 N9 DG A 15 -7.173 -4.348 -2.966 1.00 0.21 N ATOM 465 C8 DG A 15 -6.583 -4.615 -1.759 1.00 0.28 C ATOM 466 N7 DG A 15 -5.281 -4.653 -1.803 1.00 0.28 N ATOM 467 C5 DG A 15 -4.983 -4.391 -3.137 1.00 0.20 C ATOM 468 C6 DG A 15 -3.723 -4.304 -3.788 1.00 0.18 C ATOM 469 O6 DG A 15 -2.602 -4.448 -3.303 1.00 0.23 O ATOM 470 N1 DG A 15 -3.868 -4.022 -5.140 1.00 0.14 N ATOM 471 C2 DG A 15 -5.072 -3.846 -5.788 1.00 0.15 C ATOM 472 N2 DG A 15 -5.009 -3.582 -7.093 1.00 0.21 N ATOM 473 N3 DG A 15 -6.259 -3.928 -5.177 1.00 0.16 N ATOM 474 C4 DG A 15 -6.136 -4.202 -3.856 1.00 0.17 C ATOM 0 H5' DG A 15 -10.660 -2.329 -0.400 1.00 0.34 H new ATOM 0 H5'' DG A 15 -11.781 -3.674 -0.468 1.00 0.34 H new ATOM 0 H4' DG A 15 -11.225 -2.796 -2.672 1.00 0.27 H new ATOM 0 H3' DG A 15 -11.428 -5.494 -2.107 1.00 0.26 H new ATOM 0 H2' DG A 15 -9.047 -5.984 -2.063 1.00 0.25 H new ATOM 0 H2'' DG A 15 -9.389 -6.214 -3.766 1.00 0.25 H new ATOM 0 H1' DG A 15 -8.673 -4.073 -4.363 1.00 0.22 H new ATOM 0 H8 DG A 15 -7.146 -4.779 -0.852 1.00 0.28 H new ATOM 0 H1 DG A 15 -3.018 -3.939 -5.697 1.00 0.14 H new ATOM 0 H21 DG A 15 -5.867 -3.442 -7.627 1.00 0.21 H new ATOM 0 H22 DG A 15 -4.103 -3.520 -7.558 1.00 0.21 H new ATOM 486 P DA A 16 -12.913 -4.096 -4.137 1.00 0.30 P ATOM 487 OP1 DA A 16 -13.639 -4.339 -2.871 1.00 0.32 O ATOM 488 OP2 DA A 16 -13.520 -4.502 -5.425 1.00 0.37 O ATOM 489 O5' DA A 16 -12.557 -2.529 -4.221 1.00 0.32 O ATOM 490 C5' DA A 16 -11.842 -2.004 -5.343 1.00 0.30 C ATOM 491 C4' DA A 16 -12.266 -0.572 -5.658 1.00 0.33 C ATOM 492 O4' DA A 16 -13.655 -0.551 -6.013 1.00 0.39 O ATOM 493 C3' DA A 16 -12.084 0.401 -4.489 1.00 0.34 C ATOM 494 O3' DA A 16 -11.512 1.622 -4.972 1.00 0.34 O ATOM 495 C2' DA A 16 -13.501 0.654 -3.997 1.00 0.34 C ATOM 496 C1' DA A 16 -14.289 0.497 -5.283 1.00 0.33 C ATOM 497 N9 DA A 16 -15.702 0.123 -5.088 1.00 0.33 N ATOM 498 C8 DA A 16 -16.241 -0.762 -4.190 1.00 0.39 C ATOM 499 N7 DA A 16 -17.539 -0.872 -4.271 1.00 0.44 N ATOM 500 C5 DA A 16 -17.883 0.004 -5.295 1.00 0.39 C ATOM 501 C6 DA A 16 -19.115 0.352 -5.873 1.00 0.44 C ATOM 502 N6 DA A 16 -20.278 -0.167 -5.479 1.00 0.54 N ATOM 503 N1 DA A 16 -19.097 1.253 -6.869 1.00 0.43 N ATOM 504 C2 DA A 16 -17.934 1.765 -7.257 1.00 0.39 C ATOM 505 N3 DA A 16 -16.718 1.521 -6.796 1.00 0.34 N ATOM 506 C4 DA A 16 -16.770 0.613 -5.798 1.00 0.33 C ATOM 0 H5' DA A 16 -12.016 -2.636 -6.214 1.00 0.30 H new ATOM 0 H5'' DA A 16 -10.772 -2.031 -5.138 1.00 0.30 H new ATOM 0 H4' DA A 16 -11.620 -0.246 -6.473 1.00 0.33 H new ATOM 0 H3' DA A 16 -11.429 0.015 -3.708 1.00 0.34 H new ATOM 0 H2' DA A 16 -13.807 -0.064 -3.236 1.00 0.34 H new ATOM 0 H2'' DA A 16 -13.615 1.647 -3.563 1.00 0.34 H new ATOM 0 H1' DA A 16 -14.296 1.460 -5.793 1.00 0.33 H new ATOM 0 H8 DA A 16 -15.646 -1.317 -3.480 1.00 0.39 H new ATOM 0 H61 DA A 16 -21.145 0.121 -5.933 1.00 0.54 H new ATOM 0 H62 DA A 16 -20.301 -0.852 -4.723 1.00 0.54 H new ATOM 0 H2 DA A 16 -17.989 2.482 -8.063 1.00 0.39 H new ATOM 518 P DG A 17 -11.249 2.857 -3.971 1.00 0.36 P ATOM 519 OP1 DG A 17 -10.187 2.466 -3.018 1.00 0.42 O ATOM 520 OP2 DG A 17 -12.556 3.331 -3.464 1.00 0.42 O ATOM 521 O5' DG A 17 -10.653 3.988 -4.952 1.00 0.34 O ATOM 522 C5' DG A 17 -9.244 4.224 -5.018 1.00 0.31 C ATOM 523 C4' DG A 17 -8.668 3.838 -6.378 1.00 0.17 C ATOM 524 O4' DG A 17 -7.270 4.141 -6.406 1.00 0.18 O ATOM 525 C3' DG A 17 -8.819 2.351 -6.720 1.00 0.17 C ATOM 526 O3' DG A 17 -9.404 2.218 -8.020 1.00 0.17 O ATOM 527 C2' DG A 17 -7.392 1.817 -6.740 1.00 0.25 C ATOM 528 C1' DG A 17 -6.598 3.070 -7.061 1.00 0.17 C ATOM 529 N9 DG A 17 -5.205 3.042 -6.580 1.00 0.18 N ATOM 530 C8 DG A 17 -4.046 3.173 -7.299 1.00 0.23 C ATOM 531 N7 DG A 17 -2.964 3.082 -6.577 1.00 0.25 N ATOM 532 C5 DG A 17 -3.439 2.878 -5.285 1.00 0.21 C ATOM 533 C6 DG A 17 -2.725 2.707 -4.068 1.00 0.24 C ATOM 534 O6 DG A 17 -1.508 2.699 -3.892 1.00 0.27 O ATOM 535 N1 DG A 17 -3.586 2.529 -2.993 1.00 0.23 N ATOM 536 C2 DG A 17 -4.963 2.518 -3.076 1.00 0.21 C ATOM 537 N2 DG A 17 -5.623 2.335 -1.933 1.00 0.26 N ATOM 538 N3 DG A 17 -5.635 2.678 -4.219 1.00 0.19 N ATOM 539 C4 DG A 17 -4.811 2.852 -5.278 1.00 0.18 C ATOM 0 H5' DG A 17 -8.743 3.654 -4.236 1.00 0.31 H new ATOM 0 H5'' DG A 17 -9.042 5.277 -4.823 1.00 0.31 H new ATOM 0 H4' DG A 17 -9.236 4.410 -7.112 1.00 0.17 H new ATOM 0 H3' DG A 17 -9.454 1.817 -6.013 1.00 0.17 H new ATOM 0 H2' DG A 17 -7.104 1.384 -5.782 1.00 0.25 H new ATOM 0 H2'' DG A 17 -7.256 1.042 -7.494 1.00 0.25 H new ATOM 0 H1' DG A 17 -6.544 3.170 -8.145 1.00 0.17 H new ATOM 0 H8 DG A 17 -4.030 3.337 -8.366 1.00 0.23 H new ATOM 0 H1 DG A 17 -3.168 2.396 -2.072 1.00 0.23 H new ATOM 0 H21 DG A 17 -6.643 2.317 -1.930 1.00 0.26 H new ATOM 0 H22 DG A 17 -5.108 2.213 -1.061 1.00 0.26 H new ATOM 551 P DG A 18 -9.536 0.770 -8.715 1.00 0.23 P ATOM 552 OP1 DG A 18 -10.486 0.881 -9.844 1.00 0.28 O ATOM 553 OP2 DG A 18 -9.768 -0.233 -7.652 1.00 0.30 O ATOM 554 O5' DG A 18 -8.062 0.531 -9.318 1.00 0.21 O ATOM 555 C5' DG A 18 -7.546 1.398 -10.332 1.00 0.16 C ATOM 556 C4' DG A 18 -6.135 0.995 -10.753 1.00 0.14 C ATOM 557 O4' DG A 18 -5.272 1.005 -9.614 1.00 0.14 O ATOM 558 C3' DG A 18 -6.050 -0.400 -11.378 1.00 0.17 C ATOM 559 O3' DG A 18 -5.508 -0.288 -12.699 1.00 0.25 O ATOM 560 C2' DG A 18 -5.088 -1.183 -10.482 1.00 0.20 C ATOM 561 C1' DG A 18 -4.356 -0.080 -9.734 1.00 0.15 C ATOM 562 N9 DG A 18 -3.929 -0.452 -8.370 1.00 0.13 N ATOM 563 C8 DG A 18 -4.706 -0.704 -7.268 1.00 0.16 C ATOM 564 N7 DG A 18 -4.027 -0.983 -6.193 1.00 0.17 N ATOM 565 C5 DG A 18 -2.701 -0.915 -6.606 1.00 0.13 C ATOM 566 C6 DG A 18 -1.507 -1.126 -5.865 1.00 0.13 C ATOM 567 O6 DG A 18 -1.387 -1.417 -4.678 1.00 0.16 O ATOM 568 N1 DG A 18 -0.380 -0.962 -6.659 1.00 0.15 N ATOM 569 C2 DG A 18 -0.396 -0.636 -7.999 1.00 0.17 C ATOM 570 N2 DG A 18 0.792 -0.526 -8.594 1.00 0.22 N ATOM 571 N3 DG A 18 -1.520 -0.436 -8.698 1.00 0.16 N ATOM 572 C4 DG A 18 -2.630 -0.592 -7.940 1.00 0.13 C ATOM 0 H5' DG A 18 -7.537 2.424 -9.964 1.00 0.16 H new ATOM 0 H5'' DG A 18 -8.205 1.376 -11.200 1.00 0.16 H new ATOM 0 H4' DG A 18 -5.834 1.722 -11.508 1.00 0.14 H new ATOM 0 H3' DG A 18 -7.022 -0.888 -11.451 1.00 0.17 H new ATOM 0 H2' DG A 18 -5.619 -1.850 -9.803 1.00 0.20 H new ATOM 0 H2'' DG A 18 -4.404 -1.800 -11.064 1.00 0.20 H new ATOM 0 H1' DG A 18 -3.450 0.154 -10.293 1.00 0.15 H new ATOM 0 H8 DG A 18 -5.785 -0.674 -7.290 1.00 0.16 H new ATOM 0 H1 DG A 18 0.530 -1.093 -6.217 1.00 0.15 H new ATOM 0 H21 DG A 18 0.846 -0.287 -9.584 1.00 0.22 H new ATOM 0 H22 DG A 18 1.647 -0.681 -8.059 1.00 0.22 H new ATOM 584 P DG A 19 -5.362 -1.588 -13.636 1.00 0.24 P ATOM 585 OP1 DG A 19 -5.850 -1.243 -14.990 1.00 0.32 O ATOM 586 OP2 DG A 19 -5.938 -2.745 -12.917 1.00 0.28 O ATOM 587 O5' DG A 19 -3.767 -1.784 -13.710 1.00 0.28 O ATOM 588 C5' DG A 19 -3.207 -3.060 -14.021 1.00 0.23 C ATOM 589 C4' DG A 19 -1.698 -3.076 -13.804 1.00 0.22 C ATOM 590 O4' DG A 19 -1.404 -2.634 -12.475 1.00 0.21 O ATOM 591 C3' DG A 19 -1.069 -4.455 -13.975 1.00 0.22 C ATOM 592 O3' DG A 19 0.201 -4.326 -14.624 1.00 0.23 O ATOM 593 C2' DG A 19 -0.874 -4.945 -12.551 1.00 0.22 C ATOM 594 C1' DG A 19 -0.642 -3.641 -11.806 1.00 0.21 C ATOM 595 N9 DG A 19 -1.079 -3.669 -10.399 1.00 0.21 N ATOM 596 C8 DG A 19 -2.344 -3.528 -9.892 1.00 0.22 C ATOM 597 N7 DG A 19 -2.406 -3.616 -8.592 1.00 0.23 N ATOM 598 C5 DG A 19 -1.085 -3.831 -8.209 1.00 0.21 C ATOM 599 C6 DG A 19 -0.529 -4.006 -6.913 1.00 0.20 C ATOM 600 O6 DG A 19 -1.107 -4.008 -5.828 1.00 0.23 O ATOM 601 N1 DG A 19 0.846 -4.194 -6.969 1.00 0.21 N ATOM 602 C2 DG A 19 1.594 -4.213 -8.128 1.00 0.23 C ATOM 603 N2 DG A 19 2.904 -4.406 -7.981 1.00 0.26 N ATOM 604 N3 DG A 19 1.073 -4.049 -9.347 1.00 0.21 N ATOM 605 C4 DG A 19 -0.267 -3.863 -9.310 1.00 0.20 C ATOM 0 H5' DG A 19 -3.429 -3.313 -15.058 1.00 0.23 H new ATOM 0 H5'' DG A 19 -3.673 -3.824 -13.399 1.00 0.23 H new ATOM 0 H4' DG A 19 -1.279 -2.417 -14.564 1.00 0.22 H new ATOM 0 H3' DG A 19 -1.676 -5.132 -14.576 1.00 0.22 H new ATOM 0 H2' DG A 19 -1.748 -5.479 -12.179 1.00 0.22 H new ATOM 0 H2'' DG A 19 -0.025 -5.623 -12.464 1.00 0.22 H new ATOM 0 H1' DG A 19 0.432 -3.453 -11.802 1.00 0.21 H new ATOM 0 H8 DG A 19 -3.212 -3.359 -10.513 1.00 0.22 H new ATOM 0 H1 DG A 19 1.340 -4.328 -6.087 1.00 0.21 H new ATOM 0 H21 DG A 19 3.511 -4.430 -8.800 1.00 0.26 H new ATOM 0 H22 DG A 19 3.300 -4.529 -7.049 1.00 0.26 H new ATOM 617 P DC A 20 0.914 -5.612 -15.281 1.00 0.26 P ATOM 618 OP1 DC A 20 2.130 -5.153 -15.991 1.00 0.33 O ATOM 619 OP2 DC A 20 -0.114 -6.392 -16.006 1.00 0.34 O ATOM 620 O5' DC A 20 1.373 -6.460 -13.992 1.00 0.20 O ATOM 621 C5' DC A 20 2.513 -6.057 -13.227 1.00 0.16 C ATOM 622 C4' DC A 20 2.879 -7.101 -12.176 1.00 0.20 C ATOM 623 O4' DC A 20 1.797 -7.271 -11.263 1.00 0.16 O ATOM 624 C3' DC A 20 3.168 -8.478 -12.750 1.00 0.36 C ATOM 625 O3' DC A 20 4.532 -8.599 -13.169 1.00 0.51 O ATOM 626 C2' DC A 20 2.857 -9.402 -11.583 1.00 0.40 C ATOM 627 C1' DC A 20 1.764 -8.640 -10.830 1.00 0.24 C ATOM 628 N1 DC A 20 0.401 -9.150 -11.072 1.00 0.37 N ATOM 629 C2 DC A 20 -0.250 -9.758 -10.010 1.00 0.59 C ATOM 630 O2 DC A 20 0.311 -9.860 -8.922 1.00 0.64 O ATOM 631 N3 DC A 20 -1.511 -10.230 -10.211 1.00 0.78 N ATOM 632 C4 DC A 20 -2.108 -10.110 -11.404 1.00 0.73 C ATOM 633 N4 DC A 20 -3.343 -10.584 -11.566 1.00 0.91 N ATOM 634 C5 DC A 20 -1.439 -9.484 -12.503 1.00 0.51 C ATOM 635 C6 DC A 20 -0.193 -9.020 -12.293 1.00 0.35 C ATOM 0 H5' DC A 20 2.307 -5.105 -12.739 1.00 0.16 H new ATOM 0 H5'' DC A 20 3.361 -5.897 -13.893 1.00 0.16 H new ATOM 0 H4' DC A 20 3.782 -6.720 -11.700 1.00 0.20 H new ATOM 0 H3' DC A 20 2.584 -8.702 -13.643 1.00 0.36 H new ATOM 0 H2' DC A 20 2.510 -10.378 -11.921 1.00 0.40 H new ATOM 0 H2'' DC A 20 3.734 -9.574 -10.959 1.00 0.40 H new ATOM 0 HO3' DC A 20 4.684 -9.497 -13.531 1.00 0.51 H new ATOM 0 H1' DC A 20 1.971 -8.762 -9.767 1.00 0.24 H new ATOM 0 H41 DC A 20 -3.808 -10.498 -12.470 1.00 0.91 H new ATOM 0 H42 DC A 20 -3.823 -11.032 -10.786 1.00 0.91 H new ATOM 0 H5 DC A 20 -1.917 -9.387 -13.467 1.00 0.51 H new ATOM 0 H6 DC A 20 0.342 -8.540 -13.099 1.00 0.35 H new TER 648 DC A 20