USER MOD reduce.3.24.130724 H: found=0, std=0, add=210, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 208 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 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -7.81! (180deg=-7.81!) USER MOD Single : A 5 DT C7 :methyl -30:sc= -12.6! (180deg=-15.3!) USER MOD Single : A 8 DT C7 :methyl -30:sc= -3.77 (180deg=-10!) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= -4.21! (180deg=-4.21!) USER MOD Single : A 11 DT C7 :methyl -30:sc= -5.18! (180deg=-10.3!) USER MOD Single : A 14 DT C7 :methyl 150:sc= -17.2! (180deg=-17.2!) USER MOD Single : A 15 DT C7 :methyl 150:sc= -8.33! (180deg=-8.33!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -5.53! (180deg=-5.53!) USER MOD Single : A 18 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.478 5.024 -7.809 1.00 0.44 O ATOM 2 C5' DG A 1 -6.229 4.909 -7.124 1.00 0.30 C ATOM 3 C4' DG A 1 -5.521 3.608 -7.491 1.00 0.20 C ATOM 4 O4' DG A 1 -4.258 3.545 -6.833 1.00 0.19 O ATOM 5 C3' DG A 1 -6.290 2.339 -7.071 1.00 0.20 C ATOM 6 O3' DG A 1 -6.764 1.585 -8.223 1.00 0.23 O ATOM 7 C2' DG A 1 -5.274 1.506 -6.293 1.00 0.16 C ATOM 8 C1' DG A 1 -3.957 2.168 -6.681 1.00 0.14 C ATOM 9 N9 DG A 1 -2.870 2.038 -5.693 1.00 0.12 N ATOM 10 C8 DG A 1 -1.559 1.775 -5.923 1.00 0.12 C ATOM 11 N7 DG A 1 -0.807 1.732 -4.867 1.00 0.12 N ATOM 12 C5 DG A 1 -1.698 1.995 -3.833 1.00 0.11 C ATOM 13 C6 DG A 1 -1.462 2.090 -2.439 1.00 0.11 C ATOM 14 O6 DG A 1 -0.402 1.962 -1.842 1.00 0.13 O ATOM 15 N1 DG A 1 -2.625 2.370 -1.743 1.00 0.11 N ATOM 16 C2 DG A 1 -3.865 2.536 -2.321 1.00 0.12 C ATOM 17 N2 DG A 1 -4.879 2.763 -1.502 1.00 0.14 N ATOM 18 N3 DG A 1 -4.089 2.454 -3.633 1.00 0.13 N ATOM 19 C4 DG A 1 -2.967 2.182 -4.327 1.00 0.11 C ATOM 0 H5' DG A 1 -6.396 4.945 -6.047 1.00 0.30 H new ATOM 0 H5'' DG A 1 -5.592 5.757 -7.376 1.00 0.30 H new ATOM 0 H4' DG A 1 -5.436 3.624 -8.578 1.00 0.20 H new ATOM 0 H3' DG A 1 -7.174 2.593 -6.487 1.00 0.20 H new ATOM 0 H2' DG A 1 -5.450 1.547 -5.218 1.00 0.16 H new ATOM 0 H2'' DG A 1 -5.303 0.455 -6.581 1.00 0.16 H new ATOM 0 HO5' DG A 1 -7.914 5.865 -7.556 1.00 0.44 H new ATOM 0 H1' DG A 1 -3.584 1.675 -7.579 1.00 0.14 H new ATOM 0 H8 DG A 1 -1.169 1.613 -6.917 1.00 0.12 H new ATOM 0 H1 DG A 1 -2.560 2.460 -0.729 1.00 0.11 H new ATOM 0 H21 DG A 1 -5.818 2.893 -1.877 1.00 0.14 H new ATOM 0 H22 DG A 1 -4.721 2.808 -0.495 1.00 0.14 H new ATOM 31 P DG A 2 -5.961 1.451 -9.636 1.00 0.19 P ATOM 32 OP1 DG A 2 -5.816 2.806 -10.211 1.00 0.27 O ATOM 33 OP2 DG A 2 -6.610 0.386 -10.434 1.00 0.26 O ATOM 34 O5' DG A 2 -4.488 0.933 -9.210 1.00 0.19 O ATOM 35 C5' DG A 2 -4.286 -0.317 -8.534 1.00 0.16 C ATOM 36 C4' DG A 2 -3.177 -1.136 -9.152 1.00 0.16 C ATOM 37 O4' DG A 2 -1.934 -0.681 -8.605 1.00 0.19 O ATOM 38 C3' DG A 2 -3.312 -2.627 -8.860 1.00 0.16 C ATOM 39 O3' DG A 2 -3.492 -3.340 -10.086 1.00 0.19 O ATOM 40 C2' DG A 2 -1.992 -3.040 -8.224 1.00 0.16 C ATOM 41 C1' DG A 2 -1.307 -1.735 -7.876 1.00 0.16 C ATOM 42 N9 DG A 2 -1.340 -1.438 -6.438 1.00 0.13 N ATOM 43 C8 DG A 2 -2.405 -1.234 -5.606 1.00 0.15 C ATOM 44 N7 DG A 2 -2.104 -1.118 -4.351 1.00 0.14 N ATOM 45 C5 DG A 2 -0.719 -1.254 -4.344 1.00 0.13 C ATOM 46 C6 DG A 2 0.187 -1.222 -3.259 1.00 0.13 C ATOM 47 O6 DG A 2 -0.066 -1.068 -2.072 1.00 0.15 O ATOM 48 N1 DG A 2 1.498 -1.402 -3.682 1.00 0.13 N ATOM 49 C2 DG A 2 1.882 -1.589 -5.001 1.00 0.13 C ATOM 50 N2 DG A 2 3.177 -1.750 -5.243 1.00 0.14 N ATOM 51 N3 DG A 2 1.026 -1.619 -6.016 1.00 0.12 N ATOM 52 C4 DG A 2 -0.249 -1.446 -5.616 1.00 0.12 C ATOM 0 H5' DG A 2 -5.212 -0.891 -8.554 1.00 0.16 H new ATOM 0 H5'' DG A 2 -4.052 -0.126 -7.487 1.00 0.16 H new ATOM 0 H4' DG A 2 -3.227 -1.006 -10.233 1.00 0.16 H new ATOM 0 H3' DG A 2 -4.163 -2.840 -8.213 1.00 0.16 H new ATOM 0 H2' DG A 2 -2.154 -3.651 -7.336 1.00 0.16 H new ATOM 0 H2'' DG A 2 -1.389 -3.632 -8.912 1.00 0.16 H new ATOM 0 H1' DG A 2 -0.256 -1.826 -8.150 1.00 0.16 H new ATOM 0 H8 DG A 2 -3.421 -1.174 -5.967 1.00 0.15 H new ATOM 0 H1 DG A 2 2.230 -1.396 -2.972 1.00 0.13 H new ATOM 0 H21 DG A 2 3.504 -1.891 -6.199 1.00 0.14 H new ATOM 0 H22 DG A 2 3.846 -1.733 -4.473 1.00 0.14 H new ATOM 64 P DT A 3 -3.931 -4.891 -10.066 1.00 0.21 P ATOM 65 OP1 DT A 3 -3.638 -5.471 -11.396 1.00 0.28 O ATOM 66 OP2 DT A 3 -5.302 -4.978 -9.512 1.00 0.29 O ATOM 67 O5' DT A 3 -2.907 -5.528 -8.992 1.00 0.19 O ATOM 68 C5' DT A 3 -3.355 -5.886 -7.679 1.00 0.19 C ATOM 69 C4' DT A 3 -2.202 -6.250 -6.748 1.00 0.17 C ATOM 70 O4' DT A 3 -2.666 -6.264 -5.409 1.00 0.18 O ATOM 71 C3' DT A 3 -1.688 -7.646 -6.960 1.00 0.16 C ATOM 72 O3' DT A 3 -0.472 -7.841 -6.214 1.00 0.19 O ATOM 73 C2' DT A 3 -2.824 -8.446 -6.335 1.00 0.20 C ATOM 74 C1' DT A 3 -3.299 -7.538 -5.205 1.00 0.18 C ATOM 75 N1 DT A 3 -4.749 -7.285 -5.165 1.00 0.22 N ATOM 76 C2 DT A 3 -5.633 -8.303 -5.489 1.00 0.34 C ATOM 77 O2 DT A 3 -5.268 -9.445 -5.755 1.00 0.42 O ATOM 78 N3 DT A 3 -6.973 -7.964 -5.459 1.00 0.39 N ATOM 79 C4 DT A 3 -7.494 -6.723 -5.139 1.00 0.36 C ATOM 80 O4 DT A 3 -8.708 -6.534 -5.158 1.00 0.44 O ATOM 81 C5 DT A 3 -6.490 -5.733 -4.811 1.00 0.26 C ATOM 82 C7 DT A 3 -6.915 -4.314 -4.437 1.00 0.31 C ATOM 83 C6 DT A 3 -5.180 -6.048 -4.835 1.00 0.19 C ATOM 0 H5' DT A 3 -4.041 -6.730 -7.750 1.00 0.19 H new ATOM 0 H5'' DT A 3 -3.915 -5.055 -7.251 1.00 0.19 H new ATOM 0 H4' DT A 3 -1.424 -5.514 -6.951 1.00 0.17 H new ATOM 0 H3' DT A 3 -1.453 -7.905 -7.992 1.00 0.16 H new ATOM 0 H2' DT A 3 -3.619 -8.647 -7.053 1.00 0.20 H new ATOM 0 H2'' DT A 3 -2.481 -9.411 -5.961 1.00 0.20 H new ATOM 0 H1' DT A 3 -3.045 -8.043 -4.273 1.00 0.18 H new ATOM 0 H3 DT A 3 -7.641 -8.698 -5.695 1.00 0.39 H new ATOM 0 H71 DT A 3 -6.188 -3.887 -3.746 1.00 0.31 H new ATOM 0 H72 DT A 3 -6.965 -3.700 -5.336 1.00 0.31 H new ATOM 0 H73 DT A 3 -7.895 -4.341 -3.961 1.00 0.31 H new ATOM 0 H6 DT A 3 -4.454 -5.290 -4.583 1.00 0.19 H new ATOM 96 P DT A 4 0.879 -7.028 -6.575 1.00 0.18 P ATOM 97 OP1 DT A 4 0.613 -6.188 -7.765 1.00 0.23 O ATOM 98 OP2 DT A 4 1.998 -7.994 -6.596 1.00 0.30 O ATOM 99 O5' DT A 4 1.080 -6.054 -5.301 1.00 0.17 O ATOM 100 C5' DT A 4 2.310 -5.329 -5.111 1.00 0.18 C ATOM 101 C4' DT A 4 3.054 -5.754 -3.871 1.00 0.17 C ATOM 102 O4' DT A 4 2.244 -5.632 -2.716 1.00 0.16 O ATOM 103 C3' DT A 4 3.519 -7.199 -3.916 1.00 0.18 C ATOM 104 O3' DT A 4 4.696 -7.366 -3.104 1.00 0.19 O ATOM 105 C2' DT A 4 2.335 -7.947 -3.306 1.00 0.17 C ATOM 106 C1' DT A 4 1.709 -6.921 -2.383 1.00 0.16 C ATOM 107 N1 DT A 4 0.251 -6.798 -2.505 1.00 0.16 N ATOM 108 C2 DT A 4 -0.563 -7.868 -2.172 1.00 0.18 C ATOM 109 O2 DT A 4 -0.123 -8.986 -1.923 1.00 0.23 O ATOM 110 N3 DT A 4 -1.918 -7.618 -2.213 1.00 0.20 N ATOM 111 C4 DT A 4 -2.511 -6.421 -2.569 1.00 0.20 C ATOM 112 O4 DT A 4 -3.732 -6.298 -2.559 1.00 0.25 O ATOM 113 C5 DT A 4 -1.567 -5.391 -2.923 1.00 0.17 C ATOM 114 C7 DT A 4 -2.040 -4.046 -3.439 1.00 0.21 C ATOM 115 C6 DT A 4 -0.262 -5.613 -2.871 1.00 0.16 C ATOM 0 H5' DT A 4 2.092 -4.263 -5.051 1.00 0.18 H new ATOM 0 H5'' DT A 4 2.950 -5.475 -5.981 1.00 0.18 H new ATOM 0 H4' DT A 4 3.918 -5.090 -3.829 1.00 0.17 H new ATOM 0 H3' DT A 4 3.784 -7.547 -4.914 1.00 0.18 H new ATOM 0 H2' DT A 4 1.633 -8.281 -4.071 1.00 0.17 H new ATOM 0 H2'' DT A 4 2.658 -8.834 -2.761 1.00 0.17 H new ATOM 0 H1' DT A 4 1.936 -7.255 -1.371 1.00 0.16 H new ATOM 0 H3 DT A 4 -2.539 -8.386 -1.958 1.00 0.20 H new ATOM 0 H71 DT A 4 -1.324 -3.275 -3.155 1.00 0.21 H new ATOM 0 H72 DT A 4 -2.123 -4.082 -4.525 1.00 0.21 H new ATOM 0 H73 DT A 4 -3.014 -3.813 -3.008 1.00 0.21 H new ATOM 0 H6 DT A 4 0.413 -4.812 -3.132 1.00 0.16 H new ATOM 128 P DT A 5 6.050 -6.523 -3.399 1.00 0.24 P ATOM 129 OP1 DT A 5 6.111 -6.235 -4.851 1.00 0.35 O ATOM 130 OP2 DT A 5 7.180 -7.205 -2.734 1.00 0.36 O ATOM 131 O5' DT A 5 5.779 -5.135 -2.618 1.00 0.24 O ATOM 132 C5' DT A 5 4.705 -5.028 -1.676 1.00 0.19 C ATOM 133 C4' DT A 5 5.213 -4.859 -0.236 1.00 0.16 C ATOM 134 O4' DT A 5 4.117 -4.941 0.674 1.00 0.16 O ATOM 135 C3' DT A 5 6.251 -5.899 0.184 1.00 0.19 C ATOM 136 O3' DT A 5 7.508 -5.242 0.392 1.00 0.23 O ATOM 137 C2' DT A 5 5.751 -6.477 1.510 1.00 0.23 C ATOM 138 C1' DT A 5 4.509 -5.660 1.851 1.00 0.19 C ATOM 139 N1 DT A 5 3.353 -6.488 2.221 1.00 0.16 N ATOM 140 C2 DT A 5 2.976 -6.589 3.554 1.00 0.17 C ATOM 141 O2 DT A 5 3.597 -6.045 4.464 1.00 0.23 O ATOM 142 N3 DT A 5 1.847 -7.355 3.796 1.00 0.17 N ATOM 143 C4 DT A 5 1.099 -8.011 2.847 1.00 0.16 C ATOM 144 O4 DT A 5 0.135 -8.692 3.177 1.00 0.20 O ATOM 145 C5 DT A 5 1.566 -7.832 1.502 1.00 0.14 C ATOM 146 C7 DT A 5 0.737 -8.344 0.348 1.00 0.16 C ATOM 147 C6 DT A 5 2.654 -7.105 1.239 1.00 0.14 C ATOM 0 H5' DT A 5 4.080 -5.919 -1.737 1.00 0.19 H new ATOM 0 H5'' DT A 5 4.075 -4.178 -1.940 1.00 0.19 H new ATOM 0 H4' DT A 5 5.696 -3.882 -0.208 1.00 0.16 H new ATOM 0 H3' DT A 5 6.383 -6.677 -0.568 1.00 0.19 H new ATOM 0 H2' DT A 5 5.513 -7.536 1.414 1.00 0.23 H new ATOM 0 H2'' DT A 5 6.508 -6.389 2.290 1.00 0.23 H new ATOM 0 H1' DT A 5 4.771 -5.023 2.696 1.00 0.19 H new ATOM 0 H3 DT A 5 1.543 -7.440 4.766 1.00 0.17 H new ATOM 0 H71 DT A 5 0.170 -9.218 0.667 1.00 0.16 H new ATOM 0 H72 DT A 5 0.049 -7.565 0.020 1.00 0.16 H new ATOM 0 H73 DT A 5 1.393 -8.619 -0.478 1.00 0.16 H new ATOM 0 H6 DT A 5 2.986 -7.006 0.216 1.00 0.14 H new ATOM 160 P DG A 6 8.875 -6.091 0.505 1.00 0.27 P ATOM 161 OP1 DG A 6 8.755 -7.295 -0.349 1.00 0.38 O ATOM 162 OP2 DG A 6 9.211 -6.240 1.940 1.00 0.43 O ATOM 163 O5' DG A 6 9.957 -5.103 -0.169 1.00 0.22 O ATOM 164 C5' DG A 6 9.861 -4.748 -1.555 1.00 0.26 C ATOM 165 C4' DG A 6 9.569 -3.275 -1.749 1.00 0.16 C ATOM 166 O4' DG A 6 8.218 -3.114 -2.135 1.00 0.17 O ATOM 167 C3' DG A 6 9.770 -2.422 -0.504 1.00 0.16 C ATOM 168 O3' DG A 6 11.002 -1.684 -0.615 1.00 0.17 O ATOM 169 C2' DG A 6 8.573 -1.479 -0.508 1.00 0.15 C ATOM 170 C1' DG A 6 7.889 -1.781 -1.835 1.00 0.12 C ATOM 171 N9 DG A 6 6.429 -1.668 -1.858 1.00 0.12 N ATOM 172 C8 DG A 6 5.633 -1.707 -2.947 1.00 0.12 C ATOM 173 N7 DG A 6 4.367 -1.572 -2.715 1.00 0.12 N ATOM 174 C5 DG A 6 4.314 -1.428 -1.335 1.00 0.11 C ATOM 175 C6 DG A 6 3.197 -1.240 -0.492 1.00 0.11 C ATOM 176 O6 DG A 6 2.021 -1.171 -0.817 1.00 0.12 O ATOM 177 N1 DG A 6 3.571 -1.134 0.837 1.00 0.10 N ATOM 178 C2 DG A 6 4.874 -1.203 1.293 1.00 0.11 C ATOM 179 N2 DG A 6 5.065 -1.072 2.593 1.00 0.12 N ATOM 180 N3 DG A 6 5.922 -1.381 0.502 1.00 0.12 N ATOM 181 C4 DG A 6 5.575 -1.485 -0.796 1.00 0.11 C ATOM 0 H5' DG A 6 9.074 -5.338 -2.026 1.00 0.26 H new ATOM 0 H5'' DG A 6 10.794 -5.001 -2.059 1.00 0.26 H new ATOM 0 H4' DG A 6 10.278 -2.939 -2.506 1.00 0.16 H new ATOM 0 H3' DG A 6 9.834 -3.006 0.414 1.00 0.16 H new ATOM 0 H2' DG A 6 7.911 -1.667 0.337 1.00 0.15 H new ATOM 0 H2'' DG A 6 8.883 -0.436 -0.444 1.00 0.15 H new ATOM 0 H1' DG A 6 8.237 -1.034 -2.548 1.00 0.12 H new ATOM 0 H8 DG A 6 6.026 -1.842 -3.944 1.00 0.12 H new ATOM 0 H1 DG A 6 2.833 -0.995 1.528 1.00 0.10 H new ATOM 0 H21 DG A 6 6.009 -1.116 2.977 1.00 0.12 H new ATOM 0 H22 DG A 6 4.268 -0.927 3.213 1.00 0.12 H new ATOM 193 P DG A 7 11.312 -0.732 -1.885 1.00 0.15 P ATOM 194 OP1 DG A 7 10.738 -1.350 -3.100 1.00 0.20 O ATOM 195 OP2 DG A 7 12.751 -0.376 -1.853 1.00 0.22 O ATOM 196 O5' DG A 7 10.467 0.585 -1.535 1.00 0.21 O ATOM 197 C5' DG A 7 10.312 1.626 -2.492 1.00 0.20 C ATOM 198 C4' DG A 7 9.516 1.166 -3.713 1.00 0.15 C ATOM 199 O4' DG A 7 8.305 0.494 -3.305 1.00 0.16 O ATOM 200 C3' DG A 7 9.058 2.318 -4.579 1.00 0.15 C ATOM 201 O3' DG A 7 8.704 1.814 -5.874 1.00 0.19 O ATOM 202 C2' DG A 7 7.826 2.742 -3.813 1.00 0.14 C ATOM 203 C1' DG A 7 7.204 1.384 -3.563 1.00 0.13 C ATOM 204 N9 DG A 7 6.303 1.359 -2.421 1.00 0.12 N ATOM 205 C8 DG A 7 6.595 1.385 -1.095 1.00 0.12 C ATOM 206 N7 DG A 7 5.573 1.517 -0.313 1.00 0.12 N ATOM 207 C5 DG A 7 4.509 1.571 -1.206 1.00 0.10 C ATOM 208 C6 DG A 7 3.135 1.710 -0.954 1.00 0.11 C ATOM 209 O6 DG A 7 2.598 1.866 0.132 1.00 0.12 O ATOM 210 N1 DG A 7 2.393 1.710 -2.132 1.00 0.12 N ATOM 211 C2 DG A 7 2.925 1.596 -3.396 1.00 0.13 C ATOM 212 N2 DG A 7 2.070 1.617 -4.415 1.00 0.15 N ATOM 213 N3 DG A 7 4.225 1.469 -3.632 1.00 0.13 N ATOM 214 C4 DG A 7 4.950 1.465 -2.495 1.00 0.11 C ATOM 0 H5' DG A 7 11.294 1.976 -2.810 1.00 0.20 H new ATOM 0 H5'' DG A 7 9.807 2.473 -2.028 1.00 0.20 H new ATOM 0 H4' DG A 7 10.192 0.515 -4.267 1.00 0.15 H new ATOM 0 H3' DG A 7 9.783 3.114 -4.748 1.00 0.15 H new ATOM 0 H2' DG A 7 8.068 3.268 -2.889 1.00 0.14 H new ATOM 0 H2'' DG A 7 7.178 3.399 -4.393 1.00 0.14 H new ATOM 0 H1' DG A 7 6.602 1.102 -4.427 1.00 0.13 H new ATOM 0 H8 DG A 7 7.605 1.302 -0.721 1.00 0.12 H new ATOM 0 H1 DG A 7 1.380 1.801 -2.052 1.00 0.12 H new ATOM 0 H21 DG A 7 2.415 1.536 -5.372 1.00 0.15 H new ATOM 0 H22 DG A 7 1.070 1.714 -4.240 1.00 0.15 H new ATOM 226 P DT A 8 8.422 2.807 -7.098 1.00 0.20 P ATOM 227 OP1 DT A 8 8.522 2.036 -8.354 1.00 0.28 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1.00 0.20 H new ATOM 0 H4' DT A 8 4.414 4.208 -7.113 1.00 0.15 H new ATOM 0 H3' DT A 8 5.325 6.893 -6.760 1.00 0.14 H new ATOM 0 H2' DT A 8 5.165 6.875 -4.362 1.00 0.13 H new ATOM 0 H2'' DT A 8 3.459 7.075 -4.711 1.00 0.13 H new ATOM 0 H1' DT A 8 3.007 4.744 -4.563 1.00 0.13 H new ATOM 0 H3 DT A 8 2.679 4.417 -0.155 1.00 0.20 H new ATOM 0 H71 DT A 8 7.317 5.070 0.269 1.00 0.23 H new ATOM 0 H72 DT A 8 7.629 3.667 -0.780 1.00 0.23 H new ATOM 0 H73 DT A 8 7.840 5.317 -1.414 1.00 0.23 H new ATOM 0 H6 DT A 8 6.356 4.970 -3.192 1.00 0.15 H new ATOM 258 P DT A 9 2.003 5.607 -6.736 1.00 0.19 P ATOM 259 OP1 DT A 9 2.276 4.151 -6.759 1.00 0.28 O ATOM 260 OP2 DT A 9 0.933 6.165 -7.595 1.00 0.28 O ATOM 261 O5' DT A 9 1.702 6.055 -5.203 1.00 0.15 O ATOM 262 C5' DT A 9 0.760 7.104 -4.893 1.00 0.13 C ATOM 263 C4' DT A 9 1.077 7.835 -3.592 1.00 0.12 C ATOM 264 O4' DT A 9 2.266 7.335 -2.969 1.00 0.13 O ATOM 265 C3' DT A 9 1.288 9.338 -3.789 1.00 0.13 C ATOM 266 O3' DT A 9 0.181 10.066 -3.249 1.00 0.16 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0.17 C ATOM 494 C1' DT A 16 -2.186 -3.970 7.619 1.00 0.16 C ATOM 495 N1 DT A 16 -3.504 -3.925 6.980 1.00 0.18 N ATOM 496 C2 DT A 16 -3.860 -4.995 6.199 1.00 0.18 C ATOM 497 O2 DT A 16 -3.273 -6.052 6.257 1.00 0.21 O ATOM 498 N3 DT A 16 -5.026 -4.882 5.507 1.00 0.19 N ATOM 499 C4 DT A 16 -5.905 -3.819 5.565 1.00 0.21 C ATOM 500 O4 DT A 16 -6.950 -3.837 4.924 1.00 0.25 O ATOM 501 C5 DT A 16 -5.471 -2.753 6.447 1.00 0.20 C ATOM 502 C7 DT A 16 -6.378 -1.550 6.699 1.00 0.27 C ATOM 503 C6 DT A 16 -4.298 -2.841 7.101 1.00 0.18 C ATOM 0 H5' DT A 16 0.876 -6.685 6.246 1.00 0.17 H new ATOM 0 H5'' DT A 16 -0.110 -7.631 7.344 1.00 0.17 H new ATOM 0 H4' DT A 16 0.525 -5.049 7.672 1.00 0.15 H new ATOM 0 H3' DT A 16 -1.512 -6.776 8.890 1.00 0.17 H new ATOM 0 H2' DT A 16 -3.204 -5.172 9.103 1.00 0.17 H new ATOM 0 H2'' DT A 16 -2.054 -4.034 9.778 1.00 0.17 H new ATOM 0 H1' DT A 16 -1.847 -2.954 7.820 1.00 0.16 H new ATOM 0 H3 DT A 16 -5.274 -5.654 4.888 1.00 0.19 H new ATOM 0 H71 DT A 16 -6.192 -1.157 7.699 1.00 0.27 H new ATOM 0 H72 DT A 16 -6.169 -0.776 5.961 1.00 0.27 H new ATOM 0 H73 DT A 16 -7.421 -1.857 6.618 1.00 0.27 H new ATOM 0 H6 DT A 16 -3.985 -2.026 7.737 1.00 0.18 H new ATOM 516 P DG A 17 0.755 -4.266 10.015 1.00 0.15 P ATOM 517 OP1 DG A 17 1.966 -4.493 9.195 1.00 0.20 O ATOM 518 OP2 DG A 17 0.889 -3.924 11.450 1.00 0.21 O ATOM 519 O5' DG A 17 -0.127 -3.111 9.303 1.00 0.16 O ATOM 520 C5' DG A 17 0.509 -2.018 8.631 1.00 0.13 C ATOM 521 C4' DG A 17 1.326 -1.170 9.591 1.00 0.13 C ATOM 522 O4' DG A 17 2.631 -1.126 9.083 1.00 0.13 O ATOM 523 C3' DG A 17 0.877 0.284 9.762 1.00 0.16 C ATOM 524 O3' DG A 17 1.280 0.797 11.046 1.00 0.25 O ATOM 525 C2' DG A 17 1.644 1.020 8.685 1.00 0.13 C ATOM 526 C1' DG A 17 2.707 0.008 8.244 1.00 0.10 C ATOM 527 N9 DG A 17 2.595 -0.409 6.846 1.00 0.09 N ATOM 528 C8 DG A 17 3.611 -0.657 6.007 1.00 0.10 C ATOM 529 N7 DG A 17 3.305 -0.765 4.764 1.00 0.10 N ATOM 530 C5 DG A 17 1.937 -0.598 4.766 1.00 0.09 C ATOM 531 C6 DG A 17 1.041 -0.623 3.686 1.00 0.10 C ATOM 532 O6 DG A 17 1.310 -0.741 2.495 1.00 0.13 O ATOM 533 N1 DG A 17 -0.267 -0.439 4.103 1.00 0.10 N ATOM 534 C2 DG A 17 -0.655 -0.243 5.427 1.00 0.10 C ATOM 535 N2 DG A 17 -1.959 -0.139 5.686 1.00 0.11 N ATOM 536 N3 DG A 17 0.204 -0.200 6.443 1.00 0.10 N ATOM 537 C4 DG A 17 1.478 -0.388 6.043 1.00 0.09 C ATOM 0 H5' DG A 17 -0.246 -1.397 8.149 1.00 0.13 H new ATOM 0 H5'' DG A 17 1.156 -2.402 7.843 1.00 0.13 H new ATOM 0 H4' DG A 17 1.215 -1.638 10.569 1.00 0.13 H new ATOM 0 H3' DG A 17 -0.206 0.391 9.694 1.00 0.16 H new ATOM 0 H2' DG A 17 0.996 1.308 7.857 1.00 0.13 H new ATOM 0 H2'' DG A 17 2.096 1.935 9.069 1.00 0.13 H new ATOM 0 H1' DG A 17 3.672 0.508 8.330 1.00 0.10 H new ATOM 0 H8 DG A 17 4.628 -0.760 6.356 1.00 0.10 H new ATOM 0 H1 DG A 17 -0.997 -0.448 3.391 1.00 0.10 H new ATOM 0 H21 DG A 17 -2.279 0.005 6.644 1.00 0.11 H new ATOM 0 H22 DG A 17 -2.637 -0.203 4.926 1.00 0.11 H new ATOM 549 P DG A 18 2.758 0.549 11.666 1.00 0.29 P ATOM 550 OP1 DG A 18 2.938 -0.906 11.870 1.00 0.34 O ATOM 551 OP2 DG A 18 2.925 1.468 12.814 1.00 0.45 O ATOM 552 O5' DG A 18 3.777 1.026 10.501 1.00 0.26 O ATOM 553 C5' DG A 18 5.088 0.444 10.406 1.00 0.28 C ATOM 554 C4' DG A 18 5.993 1.192 9.420 1.00 0.22 C ATOM 555 O4' DG A 18 5.504 1.021 8.075 1.00 0.19 O ATOM 556 C3' DG A 18 6.090 2.700 9.684 1.00 0.21 C ATOM 557 O3' DG A 18 7.451 3.148 9.655 1.00 0.29 O ATOM 558 C2' DG A 18 5.285 3.298 8.542 1.00 0.18 C ATOM 559 C1' DG A 18 5.527 2.293 7.432 1.00 0.14 C ATOM 560 N9 DG A 18 4.490 2.310 6.390 1.00 0.11 N ATOM 561 C8 DG A 18 3.154 2.499 6.548 1.00 0.13 C ATOM 562 N7 DG A 18 2.470 2.489 5.463 1.00 0.13 N ATOM 563 C5 DG A 18 3.411 2.272 4.475 1.00 0.11 C ATOM 564 C6 DG A 18 3.226 2.163 3.075 1.00 0.10 C ATOM 565 O6 DG A 18 2.173 2.257 2.453 1.00 0.12 O ATOM 566 N1 DG A 18 4.428 1.940 2.414 1.00 0.11 N ATOM 567 C2 DG A 18 5.658 1.839 3.044 1.00 0.11 C ATOM 568 N2 DG A 18 6.707 1.633 2.254 1.00 0.14 N ATOM 569 N3 DG A 18 5.831 1.944 4.371 1.00 0.11 N ATOM 570 C4 DG A 18 4.665 2.159 5.023 1.00 0.10 C ATOM 0 H5' DG A 18 4.998 -0.597 10.094 1.00 0.28 H new ATOM 0 H5'' DG A 18 5.553 0.442 11.392 1.00 0.28 H new ATOM 0 H4' DG A 18 6.985 0.761 9.555 1.00 0.22 H new ATOM 0 H3' DG A 18 5.718 2.989 10.667 1.00 0.21 H new ATOM 0 H2' DG A 18 4.227 3.387 8.790 1.00 0.18 H new ATOM 0 H2'' DG A 18 5.634 4.295 8.274 1.00 0.18 H new ATOM 0 HO3' DG A 18 7.482 4.113 9.825 1.00 0.29 H new ATOM 0 H1' DG A 18 6.465 2.525 6.927 1.00 0.14 H new ATOM 0 H8 DG A 18 2.701 2.647 7.517 1.00 0.13 H new ATOM 0 H1 DG A 18 4.403 1.844 1.399 1.00 0.11 H new ATOM 0 H21 DG A 18 7.640 1.550 2.657 1.00 0.14 H new ATOM 0 H22 DG A 18 6.579 1.558 1.245 1.00 0.14 H new TER 582 DG A 18