USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 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 -135:sc= 0.804 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.145 (180deg=-1.77) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.151 (180deg=-0.151) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 9.220 2.661 -11.710 1.00 0.27 O ATOM 2 C5' DG A 1 9.269 2.502 -13.133 1.00 0.27 C ATOM 3 C4' DG A 1 9.445 1.061 -13.618 1.00 0.23 C ATOM 4 O4' DG A 1 10.726 0.533 -13.160 1.00 0.24 O ATOM 5 C3' DG A 1 8.361 0.124 -13.100 1.00 0.22 C ATOM 6 O3' DG A 1 8.021 -0.895 -14.026 1.00 0.21 O ATOM 7 C2' DG A 1 9.199 -0.482 -11.969 1.00 0.16 C ATOM 8 C1' DG A 1 10.537 -0.779 -12.598 1.00 0.16 C ATOM 9 N9 DG A 1 11.593 -1.191 -11.659 1.00 0.14 N ATOM 10 C8 DG A 1 12.955 -1.188 -11.836 1.00 0.20 C ATOM 11 N7 DG A 1 13.621 -1.578 -10.774 1.00 0.21 N ATOM 12 C5 DG A 1 12.639 -1.861 -9.838 1.00 0.15 C ATOM 13 C6 DG A 1 12.769 -2.329 -8.499 1.00 0.17 C ATOM 14 O6 DG A 1 13.804 -2.574 -7.872 1.00 0.23 O ATOM 15 N1 DG A 1 11.535 -2.478 -7.915 1.00 0.15 N ATOM 16 C2 DG A 1 10.343 -2.223 -8.519 1.00 0.14 C ATOM 17 N2 DG A 1 9.224 -2.394 -7.847 1.00 0.21 N ATOM 18 N3 DG A 1 10.225 -1.793 -9.759 1.00 0.12 N ATOM 19 C4 DG A 1 11.404 -1.632 -10.370 1.00 0.12 C ATOM 0 H5' DG A 1 10.091 3.103 -13.522 1.00 0.27 H new ATOM 0 H5'' DG A 1 8.350 2.903 -13.560 1.00 0.27 H new ATOM 0 H4' DG A 1 9.387 1.101 -14.706 1.00 0.23 H new ATOM 0 H3' DG A 1 7.406 0.592 -12.861 1.00 0.22 H new ATOM 0 H2' DG A 1 9.299 0.213 -11.135 1.00 0.16 H new ATOM 0 H2'' DG A 1 8.737 -1.388 -11.576 1.00 0.16 H new ATOM 0 HO5' DG A 1 8.488 3.268 -11.474 1.00 0.27 H new ATOM 0 H1' DG A 1 10.577 -1.629 -13.280 1.00 0.16 H new ATOM 0 H8 DG A 1 13.432 -0.893 -12.759 1.00 0.20 H new ATOM 0 H1 DG A 1 11.510 -2.807 -6.950 1.00 0.15 H new ATOM 0 H21 DG A 1 8.327 -2.205 -8.294 1.00 0.21 H new ATOM 0 H22 DG A 1 9.254 -2.716 -6.880 1.00 0.21 H new ATOM 32 P DG A 2 7.107 -2.129 -13.624 1.00 0.17 P ATOM 33 OP1 DG A 2 6.304 -2.520 -14.806 1.00 0.19 O ATOM 34 OP2 DG A 2 6.458 -1.856 -12.325 1.00 0.19 O ATOM 35 O5' DG A 2 8.203 -3.303 -13.389 1.00 0.16 O ATOM 36 C5' DG A 2 9.077 -3.797 -14.417 1.00 0.19 C ATOM 37 C4' DG A 2 9.868 -5.018 -13.935 1.00 0.17 C ATOM 38 O4' DG A 2 10.596 -4.735 -12.698 1.00 0.16 O ATOM 39 C3' DG A 2 8.938 -6.260 -13.595 1.00 0.17 C ATOM 40 O3' DG A 2 9.416 -7.613 -13.865 1.00 0.20 O ATOM 41 C2' DG A 2 8.817 -5.974 -12.139 1.00 0.14 C ATOM 42 C1' DG A 2 10.250 -5.714 -11.710 1.00 0.13 C ATOM 43 N9 DG A 2 10.553 -5.531 -10.278 1.00 0.14 N ATOM 44 C8 DG A 2 9.661 -5.347 -9.238 1.00 0.22 C ATOM 45 N7 DG A 2 10.215 -5.308 -8.078 1.00 0.24 N ATOM 46 C5 DG A 2 11.564 -5.476 -8.343 1.00 0.15 C ATOM 47 C6 DG A 2 12.629 -5.522 -7.440 1.00 0.15 C ATOM 48 O6 DG A 2 12.549 -5.453 -6.223 1.00 0.21 O ATOM 49 N1 DG A 2 13.828 -5.696 -8.095 1.00 0.16 N ATOM 50 C2 DG A 2 13.985 -5.823 -9.448 1.00 0.19 C ATOM 51 N2 DG A 2 15.218 -5.986 -9.917 1.00 0.28 N ATOM 52 N3 DG A 2 12.983 -5.789 -10.317 1.00 0.17 N ATOM 53 C4 DG A 2 11.799 -5.612 -9.686 1.00 0.12 C ATOM 0 H5' DG A 2 9.768 -3.010 -14.720 1.00 0.19 H new ATOM 0 H5'' DG A 2 8.492 -4.064 -15.297 1.00 0.19 H new ATOM 0 H4' DG A 2 10.539 -5.249 -14.762 1.00 0.17 H new ATOM 0 H3' DG A 2 8.044 -6.311 -14.217 1.00 0.17 H new ATOM 0 H2' DG A 2 8.179 -5.111 -11.951 1.00 0.14 H new ATOM 0 H2'' DG A 2 8.383 -6.815 -11.599 1.00 0.14 H new ATOM 0 H1' DG A 2 10.921 -6.573 -11.709 1.00 0.13 H new ATOM 0 H8 DG A 2 8.596 -5.245 -9.386 1.00 0.22 H new ATOM 0 H1 DG A 2 14.671 -5.733 -7.522 1.00 0.16 H new ATOM 0 H21 DG A 2 15.373 -6.084 -10.920 1.00 0.28 H new ATOM 0 H22 DG A 2 16.009 -6.013 -9.274 1.00 0.28 H new ATOM 65 P DT A 3 9.714 -8.886 -12.908 1.00 0.22 P ATOM 66 OP1 DT A 3 10.858 -8.535 -12.050 1.00 0.27 O ATOM 67 OP2 DT A 3 9.824 -10.060 -13.796 1.00 0.27 O ATOM 68 O5' DT A 3 8.396 -9.096 -11.978 1.00 0.24 O ATOM 69 C5' DT A 3 7.472 -10.188 -12.135 1.00 0.25 C ATOM 70 C4' DT A 3 6.056 -9.649 -12.433 1.00 0.23 C ATOM 71 O4' DT A 3 6.075 -8.807 -13.615 1.00 0.22 O ATOM 72 C3' DT A 3 5.329 -8.799 -11.347 1.00 0.22 C ATOM 73 O3' DT A 3 6.200 -7.965 -10.580 1.00 0.19 O ATOM 74 C2' DT A 3 4.591 -7.851 -12.372 1.00 0.22 C ATOM 75 C1' DT A 3 5.718 -7.454 -13.318 1.00 0.16 C ATOM 76 N1 DT A 3 5.447 -6.595 -14.498 1.00 0.16 N ATOM 77 C2 DT A 3 5.418 -5.248 -14.253 1.00 0.20 C ATOM 78 O2 DT A 3 5.603 -4.787 -13.147 1.00 0.29 O ATOM 79 N3 DT A 3 5.195 -4.416 -15.304 1.00 0.22 N ATOM 80 C4 DT A 3 4.991 -4.805 -16.600 1.00 0.20 C ATOM 81 O4 DT A 3 4.788 -3.910 -17.411 1.00 0.24 O ATOM 82 C5 DT A 3 5.041 -6.256 -16.805 1.00 0.21 C ATOM 83 C7 DT A 3 4.885 -6.877 -18.213 1.00 0.27 C ATOM 84 C6 DT A 3 5.258 -7.093 -15.772 1.00 0.18 C ATOM 0 H5' DT A 3 7.455 -10.793 -11.229 1.00 0.25 H new ATOM 0 H5'' DT A 3 7.800 -10.838 -12.946 1.00 0.25 H new ATOM 0 H4' DT A 3 5.499 -10.582 -12.523 1.00 0.23 H new ATOM 0 H3' DT A 3 4.775 -9.381 -10.610 1.00 0.22 H new ATOM 0 H2' DT A 3 3.785 -8.366 -12.894 1.00 0.22 H new ATOM 0 H2'' DT A 3 4.150 -6.985 -11.879 1.00 0.22 H new ATOM 0 H1' DT A 3 6.454 -6.767 -12.900 1.00 0.16 H new ATOM 0 H3 DT A 3 5.178 -3.415 -15.110 1.00 0.22 H new ATOM 0 H71 DT A 3 5.447 -7.810 -18.264 1.00 0.27 H new ATOM 0 H72 DT A 3 3.831 -7.077 -18.408 1.00 0.27 H new ATOM 0 H73 DT A 3 5.266 -6.182 -18.961 1.00 0.27 H new ATOM 0 H6 DT A 3 5.284 -8.159 -15.941 1.00 0.18 H new ATOM 97 P DT A 4 5.766 -7.065 -9.307 1.00 0.20 P ATOM 98 OP1 DT A 4 4.422 -6.516 -9.551 1.00 0.31 O ATOM 99 OP2 DT A 4 6.869 -6.133 -9.014 1.00 0.28 O ATOM 100 O5' DT A 4 5.698 -8.122 -8.096 1.00 0.26 O ATOM 101 C5' DT A 4 4.768 -9.197 -8.014 1.00 0.24 C ATOM 102 C4' DT A 4 4.947 -9.987 -6.759 1.00 0.17 C ATOM 103 O4' DT A 4 6.312 -10.477 -6.509 1.00 0.20 O ATOM 104 C3' DT A 4 4.610 -9.104 -5.558 1.00 0.17 C ATOM 105 O3' DT A 4 4.102 -9.970 -4.563 1.00 0.22 O ATOM 106 C2' DT A 4 6.089 -8.620 -5.284 1.00 0.19 C ATOM 107 C1' DT A 4 6.991 -9.852 -5.384 1.00 0.22 C ATOM 108 N1 DT A 4 8.435 -9.582 -5.709 1.00 0.23 N ATOM 109 C2 DT A 4 9.318 -9.544 -4.638 1.00 0.30 C ATOM 110 O2 DT A 4 9.014 -9.783 -3.484 1.00 0.39 O ATOM 111 N3 DT A 4 10.619 -9.268 -4.942 1.00 0.30 N ATOM 112 C4 DT A 4 11.146 -9.037 -6.173 1.00 0.23 C ATOM 113 O4 DT A 4 12.345 -8.791 -6.234 1.00 0.27 O ATOM 114 C5 DT A 4 10.199 -9.104 -7.252 1.00 0.18 C ATOM 115 C7 DT A 4 10.701 -8.930 -8.710 1.00 0.20 C ATOM 116 C6 DT A 4 8.901 -9.360 -7.004 1.00 0.20 C ATOM 0 H5' DT A 4 4.891 -9.852 -8.877 1.00 0.24 H new ATOM 0 H5'' DT A 4 3.752 -8.804 -8.055 1.00 0.24 H new ATOM 0 H4' DT A 4 4.293 -10.849 -6.888 1.00 0.17 H new ATOM 0 H3' DT A 4 3.882 -8.297 -5.642 1.00 0.17 H new ATOM 0 H2' DT A 4 6.388 -7.864 -6.010 1.00 0.19 H new ATOM 0 H2'' DT A 4 6.168 -8.163 -4.297 1.00 0.19 H new ATOM 0 H1' DT A 4 7.088 -10.411 -4.453 1.00 0.22 H new ATOM 0 H3 DT A 4 11.269 -9.231 -4.157 1.00 0.30 H new ATOM 0 H71 DT A 4 11.575 -8.279 -8.719 1.00 0.20 H new ATOM 0 H72 DT A 4 10.969 -9.903 -9.121 1.00 0.20 H new ATOM 0 H73 DT A 4 9.912 -8.485 -9.316 1.00 0.20 H new ATOM 0 H6 DT A 4 8.204 -9.394 -7.828 1.00 0.20 H new ATOM 129 P DG A 5 3.164 -9.666 -3.339 1.00 0.24 P ATOM 130 OP1 DG A 5 3.006 -10.913 -2.602 1.00 0.44 O ATOM 131 OP2 DG A 5 1.985 -8.961 -3.803 1.00 0.45 O ATOM 132 O5' DG A 5 3.930 -8.653 -2.358 1.00 0.20 O ATOM 133 C5' DG A 5 3.237 -7.853 -1.381 1.00 0.24 C ATOM 134 C4' DG A 5 3.755 -6.452 -1.403 1.00 0.16 C ATOM 135 O4' DG A 5 5.182 -6.400 -1.134 1.00 0.18 O ATOM 136 C3' DG A 5 3.520 -5.796 -2.782 1.00 0.17 C ATOM 137 O3' DG A 5 3.389 -4.377 -2.619 1.00 0.20 O ATOM 138 C2' DG A 5 4.944 -6.072 -3.356 1.00 0.16 C ATOM 139 C1' DG A 5 5.842 -5.625 -2.150 1.00 0.18 C ATOM 140 N9 DG A 5 7.213 -5.987 -2.354 1.00 0.20 N ATOM 141 C8 DG A 5 8.113 -6.558 -1.462 1.00 0.26 C ATOM 142 N7 DG A 5 9.288 -6.773 -1.993 1.00 0.28 N ATOM 143 C5 DG A 5 9.148 -6.318 -3.314 1.00 0.22 C ATOM 144 C6 DG A 5 10.082 -6.290 -4.387 1.00 0.20 C ATOM 145 O6 DG A 5 11.243 -6.675 -4.359 1.00 0.29 O ATOM 146 N1 DG A 5 9.539 -5.762 -5.514 1.00 0.15 N ATOM 147 C2 DG A 5 8.240 -5.314 -5.618 1.00 0.14 C ATOM 148 N2 DG A 5 7.816 -4.842 -6.773 1.00 0.19 N ATOM 149 N3 DG A 5 7.380 -5.333 -4.634 1.00 0.15 N ATOM 150 C4 DG A 5 7.892 -5.847 -3.522 1.00 0.16 C ATOM 0 H5' DG A 5 3.370 -8.282 -0.388 1.00 0.24 H new ATOM 0 H5'' DG A 5 2.167 -7.857 -1.589 1.00 0.24 H new ATOM 0 H4' DG A 5 3.212 -5.916 -0.625 1.00 0.16 H new ATOM 0 H3' DG A 5 2.655 -6.140 -3.349 1.00 0.17 H new ATOM 0 H2' DG A 5 5.089 -7.121 -3.612 1.00 0.16 H new ATOM 0 H2'' DG A 5 5.145 -5.493 -4.257 1.00 0.16 H new ATOM 0 H1' DG A 5 5.916 -4.557 -1.947 1.00 0.18 H new ATOM 0 H8 DG A 5 7.867 -6.799 -0.438 1.00 0.26 H new ATOM 0 H1 DG A 5 10.133 -5.692 -6.340 1.00 0.15 H new ATOM 0 H21 DG A 5 6.857 -4.507 -6.866 1.00 0.19 H new ATOM 0 H22 DG A 5 8.447 -4.812 -7.574 1.00 0.19 H new ATOM 162 P DG A 6 2.891 -3.374 -3.755 1.00 0.18 P ATOM 163 OP1 DG A 6 1.621 -3.879 -4.302 1.00 0.27 O ATOM 164 OP2 DG A 6 4.007 -3.092 -4.677 1.00 0.24 O ATOM 165 O5' DG A 6 2.565 -2.002 -2.916 1.00 0.23 O ATOM 166 C5' DG A 6 3.477 -1.081 -2.315 1.00 0.25 C ATOM 167 C4' DG A 6 4.592 -1.685 -1.441 1.00 0.23 C ATOM 168 O4' DG A 6 5.510 -2.448 -2.266 1.00 0.26 O ATOM 169 C3' DG A 6 5.487 -0.604 -0.759 1.00 0.29 C ATOM 170 O3' DG A 6 5.987 -1.047 0.485 1.00 0.33 O ATOM 171 C2' DG A 6 6.609 -0.632 -1.735 1.00 0.28 C ATOM 172 C1' DG A 6 6.832 -2.111 -2.004 1.00 0.18 C ATOM 173 N9 DG A 6 7.780 -2.299 -3.082 1.00 0.19 N ATOM 174 C8 DG A 6 7.565 -2.326 -4.469 1.00 0.22 C ATOM 175 N7 DG A 6 8.652 -2.513 -5.137 1.00 0.21 N ATOM 176 C5 DG A 6 9.640 -2.616 -4.153 1.00 0.19 C ATOM 177 C6 DG A 6 11.033 -2.826 -4.283 1.00 0.18 C ATOM 178 O6 DG A 6 11.658 -2.960 -5.328 1.00 0.19 O ATOM 179 N1 DG A 6 11.654 -2.858 -3.063 1.00 0.18 N ATOM 180 C2 DG A 6 11.034 -2.716 -1.854 1.00 0.18 C ATOM 181 N2 DG A 6 11.832 -2.727 -0.771 1.00 0.21 N ATOM 182 N3 DG A 6 9.735 -2.522 -1.737 1.00 0.18 N ATOM 183 C4 DG A 6 9.108 -2.487 -2.908 1.00 0.19 C ATOM 0 H5' DG A 6 2.904 -0.385 -1.703 1.00 0.25 H new ATOM 0 H5'' DG A 6 3.944 -0.498 -3.108 1.00 0.25 H new ATOM 0 H4' DG A 6 4.075 -2.284 -0.692 1.00 0.23 H new ATOM 0 H3' DG A 6 4.991 0.347 -0.562 1.00 0.29 H new ATOM 0 H2' DG A 6 6.355 -0.095 -2.649 1.00 0.28 H new ATOM 0 H2'' DG A 6 7.504 -0.162 -1.327 1.00 0.28 H new ATOM 0 H1' DG A 6 7.287 -2.727 -1.228 1.00 0.18 H new ATOM 0 H8 DG A 6 6.595 -2.203 -4.927 1.00 0.22 H new ATOM 0 H1 DG A 6 12.664 -3.000 -3.056 1.00 0.18 H new ATOM 0 H21 DG A 6 11.429 -2.625 0.160 1.00 0.21 H new ATOM 0 H22 DG A 6 12.840 -2.837 -0.881 1.00 0.21 H new ATOM 195 P DT A 7 5.349 -0.603 1.875 1.00 0.30 P ATOM 196 OP1 DT A 7 4.591 -1.733 2.354 1.00 0.52 O ATOM 197 OP2 DT A 7 4.699 0.666 1.660 1.00 0.51 O ATOM 198 O5' DT A 7 6.612 -0.349 2.817 1.00 0.24 O ATOM 199 C5' DT A 7 7.463 -1.393 3.320 1.00 0.22 C ATOM 200 C4' DT A 7 8.903 -1.328 2.726 1.00 0.20 C ATOM 201 O4' DT A 7 9.637 -2.499 3.148 1.00 0.23 O ATOM 202 C3' DT A 7 8.950 -1.321 1.182 1.00 0.21 C ATOM 203 O3' DT A 7 10.224 -0.874 0.673 1.00 0.25 O ATOM 204 C2' DT A 7 8.899 -2.847 1.031 1.00 0.18 C ATOM 205 C1' DT A 7 9.983 -3.341 2.021 1.00 0.22 C ATOM 206 N1 DT A 7 10.087 -4.790 2.267 1.00 0.24 N ATOM 207 C2 DT A 7 10.634 -5.588 1.312 1.00 0.27 C ATOM 208 O2 DT A 7 11.065 -5.159 0.268 1.00 0.28 O ATOM 209 N3 DT A 7 10.709 -6.912 1.577 1.00 0.37 N ATOM 210 C4 DT A 7 10.281 -7.546 2.722 1.00 0.47 C ATOM 211 O4 DT A 7 10.398 -8.769 2.784 1.00 0.59 O ATOM 212 C5 DT A 7 9.705 -6.635 3.705 1.00 0.45 C ATOM 213 C7 DT A 7 9.149 -7.129 5.025 1.00 0.60 C ATOM 214 C6 DT A 7 9.630 -5.319 3.449 1.00 0.34 C ATOM 0 H5' DT A 7 7.021 -2.362 3.087 1.00 0.22 H new ATOM 0 H5'' DT A 7 7.518 -1.321 4.406 1.00 0.22 H new ATOM 0 H4' DT A 7 9.329 -0.392 3.087 1.00 0.20 H new ATOM 0 H3' DT A 7 8.208 -0.696 0.685 1.00 0.21 H new ATOM 0 H2' DT A 7 7.915 -3.243 1.282 1.00 0.18 H new ATOM 0 H2'' DT A 7 9.116 -3.157 0.009 1.00 0.18 H new ATOM 0 H1' DT A 7 11.007 -3.243 1.660 1.00 0.22 H new ATOM 0 H3 DT A 7 11.125 -7.501 0.855 1.00 0.37 H new ATOM 0 H71 DT A 7 9.267 -6.354 5.782 1.00 0.60 H new ATOM 0 H72 DT A 7 8.091 -7.365 4.909 1.00 0.60 H new ATOM 0 H73 DT A 7 9.688 -8.024 5.335 1.00 0.60 H new ATOM 0 H6 DT A 7 9.200 -4.661 4.190 1.00 0.34 H new ATOM 227 P DG A 8 11.044 0.455 0.997 1.00 0.18 P ATOM 228 OP1 DG A 8 12.373 0.200 0.404 1.00 0.23 O ATOM 229 OP2 DG A 8 10.929 0.765 2.435 1.00 0.23 O ATOM 230 O5' DG A 8 10.300 1.617 0.123 1.00 0.21 O ATOM 231 C5' DG A 8 11.070 2.619 -0.541 1.00 0.19 C ATOM 232 C4' DG A 8 11.632 2.141 -1.911 1.00 0.17 C ATOM 233 O4' DG A 8 10.602 2.169 -2.985 1.00 0.24 O ATOM 234 C3' DG A 8 12.854 2.856 -2.550 1.00 0.16 C ATOM 235 O3' DG A 8 13.204 4.132 -2.027 1.00 0.24 O ATOM 236 C2' DG A 8 12.425 2.943 -4.076 1.00 0.18 C ATOM 237 C1' DG A 8 11.104 2.115 -4.356 1.00 0.20 C ATOM 238 N9 DG A 8 10.190 2.720 -5.344 1.00 0.20 N ATOM 239 C8 DG A 8 9.094 3.530 -5.124 1.00 0.24 C ATOM 240 N7 DG A 8 8.469 3.873 -6.201 1.00 0.26 N ATOM 241 C5 DG A 8 9.187 3.259 -7.211 1.00 0.21 C ATOM 242 C6 DG A 8 8.960 3.282 -8.611 1.00 0.22 C ATOM 243 O6 DG A 8 8.073 3.848 -9.242 1.00 0.29 O ATOM 244 N1 DG A 8 9.903 2.540 -9.289 1.00 0.17 N ATOM 245 C2 DG A 8 10.933 1.859 -8.721 1.00 0.15 C ATOM 246 N2 DG A 8 11.720 1.211 -9.562 1.00 0.20 N ATOM 247 N3 DG A 8 11.159 1.828 -7.411 1.00 0.15 N ATOM 248 C4 DG A 8 10.248 2.549 -6.707 1.00 0.16 C ATOM 0 H5' DG A 8 11.898 2.919 0.101 1.00 0.19 H new ATOM 0 H5'' DG A 8 10.451 3.503 -0.696 1.00 0.19 H new ATOM 0 H4' DG A 8 11.967 1.153 -1.594 1.00 0.17 H new ATOM 0 H3' DG A 8 13.769 2.301 -2.344 1.00 0.16 H new ATOM 0 H2' DG A 8 12.267 3.986 -4.352 1.00 0.18 H new ATOM 0 H2'' DG A 8 13.232 2.566 -4.704 1.00 0.18 H new ATOM 0 H1' DG A 8 11.235 1.132 -4.808 1.00 0.20 H new ATOM 0 H8 DG A 8 8.787 3.849 -4.139 1.00 0.24 H new ATOM 0 H1 DG A 8 9.821 2.498 -10.305 1.00 0.17 H new ATOM 0 H21 DG A 8 12.514 0.677 -9.209 1.00 0.20 H new ATOM 0 H22 DG A 8 11.533 1.245 -10.564 1.00 0.20 H new ATOM 260 P DT A 9 14.219 4.350 -0.779 1.00 0.25 P ATOM 261 OP1 DT A 9 13.842 3.429 0.302 1.00 0.32 O ATOM 262 OP2 DT A 9 14.297 5.799 -0.499 1.00 0.32 O ATOM 263 O5' DT A 9 15.703 3.888 -1.310 1.00 0.22 O ATOM 264 C5' DT A 9 16.835 3.931 -0.410 1.00 0.24 C ATOM 265 C4' DT A 9 18.018 3.022 -0.826 1.00 0.19 C ATOM 266 O4' DT A 9 17.568 1.673 -0.941 1.00 0.19 O ATOM 267 C3' DT A 9 18.665 3.305 -2.196 1.00 0.20 C ATOM 268 O3' DT A 9 20.058 2.851 -2.298 1.00 0.19 O ATOM 269 C2' DT A 9 17.713 2.483 -3.065 1.00 0.17 C ATOM 270 C1' DT A 9 17.380 1.195 -2.279 1.00 0.14 C ATOM 271 N1 DT A 9 15.972 0.658 -2.529 1.00 0.12 N ATOM 272 C2 DT A 9 15.085 0.534 -1.430 1.00 0.11 C ATOM 273 O2 DT A 9 15.368 0.778 -0.272 1.00 0.17 O ATOM 274 N3 DT A 9 13.836 0.097 -1.700 1.00 0.11 N ATOM 275 C4 DT A 9 13.337 -0.240 -2.946 1.00 0.11 C ATOM 276 O4 DT A 9 12.165 -0.597 -3.043 1.00 0.16 O ATOM 277 C5 DT A 9 14.281 -0.109 -4.017 1.00 0.13 C ATOM 278 C7 DT A 9 13.844 -0.477 -5.409 1.00 0.17 C ATOM 279 C6 DT A 9 15.534 0.318 -3.816 1.00 0.14 C ATOM 0 H5' DT A 9 16.503 3.641 0.587 1.00 0.24 H new ATOM 0 H5'' DT A 9 17.190 4.959 -0.341 1.00 0.24 H new ATOM 0 H4' DT A 9 18.753 3.217 -0.045 1.00 0.19 H new ATOM 0 H3' DT A 9 18.761 4.360 -2.453 1.00 0.20 H new ATOM 0 H2' DT A 9 16.806 3.047 -3.283 1.00 0.17 H new ATOM 0 H2'' DT A 9 18.176 2.242 -4.022 1.00 0.17 H new ATOM 0 H1' DT A 9 17.988 0.333 -2.555 1.00 0.14 H new ATOM 0 H3 DT A 9 13.199 0.007 -0.909 1.00 0.11 H new ATOM 0 H71 DT A 9 14.389 0.128 -6.133 1.00 0.17 H new ATOM 0 H72 DT A 9 14.051 -1.532 -5.588 1.00 0.17 H new ATOM 0 H73 DT A 9 12.775 -0.294 -5.515 1.00 0.17 H new ATOM 0 H6 DT A 9 16.212 0.401 -4.652 1.00 0.14 H new ATOM 292 P DG A 10 20.715 1.377 -2.154 1.00 0.17 P ATOM 293 OP1 DG A 10 22.156 1.538 -2.380 1.00 0.24 O ATOM 294 OP2 DG A 10 19.996 0.395 -2.973 1.00 0.23 O ATOM 295 O5' DG A 10 20.495 1.012 -0.598 1.00 0.23 O ATOM 296 C5' DG A 10 20.741 -0.298 -0.055 1.00 0.23 C ATOM 297 C4' DG A 10 19.942 -0.631 1.227 1.00 0.23 C ATOM 298 O4' DG A 10 18.522 -0.494 0.979 1.00 0.22 O ATOM 299 C3' DG A 10 20.250 -2.087 1.629 1.00 0.21 C ATOM 300 O3' DG A 10 20.265 -2.523 2.994 1.00 0.19 O ATOM 301 C2' DG A 10 18.914 -2.653 1.071 1.00 0.20 C ATOM 302 C1' DG A 10 17.797 -1.650 1.406 1.00 0.20 C ATOM 303 N9 DG A 10 16.611 -1.993 0.569 1.00 0.19 N ATOM 304 C8 DG A 10 15.313 -2.317 0.886 1.00 0.18 C ATOM 305 N7 DG A 10 14.550 -2.628 -0.138 1.00 0.19 N ATOM 306 C5 DG A 10 15.419 -2.494 -1.216 1.00 0.18 C ATOM 307 C6 DG A 10 15.204 -2.696 -2.604 1.00 0.19 C ATOM 308 O6 DG A 10 14.196 -3.044 -3.201 1.00 0.23 O ATOM 309 N1 DG A 10 16.339 -2.456 -3.342 1.00 0.19 N ATOM 310 C2 DG A 10 17.538 -2.069 -2.831 1.00 0.19 C ATOM 311 N2 DG A 10 18.515 -1.823 -3.661 1.00 0.21 N ATOM 312 N3 DG A 10 17.761 -1.884 -1.549 1.00 0.20 N ATOM 313 C4 DG A 10 16.664 -2.112 -0.793 1.00 0.19 C ATOM 0 H5' DG A 10 21.805 -0.391 0.163 1.00 0.23 H new ATOM 0 H5'' DG A 10 20.505 -1.041 -0.816 1.00 0.23 H new ATOM 0 H4' DG A 10 20.227 0.054 2.025 1.00 0.23 H new ATOM 0 H3' DG A 10 21.258 -2.352 1.309 1.00 0.21 H new ATOM 0 H2' DG A 10 18.983 -2.801 -0.007 1.00 0.20 H new ATOM 0 H2'' DG A 10 18.698 -3.626 1.513 1.00 0.20 H new ATOM 0 H1' DG A 10 17.387 -1.581 2.414 1.00 0.20 H new ATOM 0 H8 DG A 10 14.947 -2.316 1.902 1.00 0.18 H new ATOM 0 H1 DG A 10 16.277 -2.578 -4.353 1.00 0.19 H new ATOM 0 H21 DG A 10 19.425 -1.531 -3.305 1.00 0.21 H new ATOM 0 H22 DG A 10 18.368 -1.923 -4.665 1.00 0.21 H new ATOM 325 P DG A 11 20.615 -4.103 3.265 1.00 0.19 P ATOM 326 OP1 DG A 11 20.995 -4.300 4.678 1.00 0.29 O ATOM 327 OP2 DG A 11 21.527 -4.504 2.189 1.00 0.32 O ATOM 328 O5' DG A 11 19.243 -4.843 3.051 1.00 0.18 O ATOM 329 C5' DG A 11 18.078 -4.452 3.785 1.00 0.19 C ATOM 330 C4' DG A 11 16.800 -5.004 3.169 1.00 0.20 C ATOM 331 O4' DG A 11 16.773 -4.622 1.748 1.00 0.19 O ATOM 332 C3' DG A 11 16.756 -6.544 3.166 1.00 0.23 C ATOM 333 O3' DG A 11 15.628 -7.119 3.813 1.00 0.31 O ATOM 334 C2' DG A 11 16.718 -6.793 1.697 1.00 0.26 C ATOM 335 C1' DG A 11 16.090 -5.647 1.003 1.00 0.22 C ATOM 336 N9 DG A 11 16.305 -5.596 -0.443 1.00 0.18 N ATOM 337 C8 DG A 11 17.473 -5.487 -1.211 1.00 0.20 C ATOM 338 N7 DG A 11 17.242 -5.530 -2.526 1.00 0.19 N ATOM 339 C5 DG A 11 15.842 -5.665 -2.588 1.00 0.16 C ATOM 340 C6 DG A 11 14.994 -5.758 -3.726 1.00 0.18 C ATOM 341 O6 DG A 11 15.327 -5.749 -4.895 1.00 0.23 O ATOM 342 N1 DG A 11 13.696 -5.870 -3.388 1.00 0.17 N ATOM 343 C2 DG A 11 13.239 -5.895 -2.104 1.00 0.17 C ATOM 344 N2 DG A 11 11.937 -5.978 -1.942 1.00 0.19 N ATOM 345 N3 DG A 11 14.011 -5.814 -1.026 1.00 0.19 N ATOM 346 C4 DG A 11 15.297 -5.700 -1.334 1.00 0.16 C ATOM 0 H5' DG A 11 18.022 -3.364 3.822 1.00 0.19 H new ATOM 0 H5'' DG A 11 18.164 -4.802 4.814 1.00 0.19 H new ATOM 0 H4' DG A 11 15.972 -4.610 3.757 1.00 0.20 H new ATOM 0 H3' DG A 11 17.582 -6.992 3.719 1.00 0.23 H new ATOM 0 H2' DG A 11 17.729 -6.947 1.320 1.00 0.26 H new ATOM 0 H2'' DG A 11 16.158 -7.705 1.489 1.00 0.26 H new ATOM 0 H1' DG A 11 15.000 -5.618 1.005 1.00 0.22 H new ATOM 0 H8 DG A 11 18.459 -5.379 -0.783 1.00 0.20 H new ATOM 0 H1 DG A 11 13.011 -5.941 -4.140 1.00 0.17 H new ATOM 0 H21 DG A 11 11.540 -6.000 -1.003 1.00 0.19 H new ATOM 0 H22 DG A 11 11.324 -6.020 -2.756 1.00 0.19 H new ATOM 358 P DT A 12 15.826 -7.925 5.151 1.00 0.52 P ATOM 359 OP1 DT A 12 14.684 -8.798 5.295 1.00 0.77 O ATOM 360 OP2 DT A 12 16.156 -6.996 6.210 1.00 0.67 O ATOM 361 O5' DT A 12 17.147 -8.819 4.841 1.00 0.49 O ATOM 362 C5' DT A 12 17.165 -9.960 3.975 1.00 0.52 C ATOM 363 C4' DT A 12 18.572 -10.411 3.532 1.00 0.55 C ATOM 364 O4' DT A 12 19.487 -10.759 4.611 1.00 0.63 O ATOM 365 C3' DT A 12 19.274 -9.334 2.680 1.00 0.45 C ATOM 366 O3' DT A 12 18.999 -9.551 1.287 1.00 0.43 O ATOM 367 C2' DT A 12 20.725 -9.672 2.964 1.00 0.54 C ATOM 368 C1' DT A 12 20.639 -9.889 4.508 1.00 0.57 C ATOM 369 N1 DT A 12 20.268 -8.664 5.309 1.00 0.46 N ATOM 370 C2 DT A 12 20.715 -7.411 4.885 1.00 0.38 C ATOM 371 O2 DT A 12 21.379 -7.198 3.881 1.00 0.40 O ATOM 372 N3 DT A 12 20.360 -6.342 5.657 1.00 0.35 N ATOM 373 C4 DT A 12 19.616 -6.366 6.794 1.00 0.41 C ATOM 374 O4 DT A 12 19.373 -5.328 7.392 1.00 0.44 O ATOM 375 C5 DT A 12 19.178 -7.694 7.189 1.00 0.49 C ATOM 376 C7 DT A 12 18.359 -7.920 8.440 1.00 0.65 C ATOM 377 C6 DT A 12 19.507 -8.763 6.454 1.00 0.52 C ATOM 0 H5' DT A 12 16.574 -9.735 3.087 1.00 0.52 H new ATOM 0 H5'' DT A 12 16.675 -10.791 4.481 1.00 0.52 H new ATOM 0 H4' DT A 12 18.366 -11.316 2.960 1.00 0.55 H new ATOM 0 H3' DT A 12 18.977 -8.308 2.900 1.00 0.45 H new ATOM 0 H2' DT A 12 21.059 -10.563 2.433 1.00 0.54 H new ATOM 0 H2'' DT A 12 21.405 -8.865 2.691 1.00 0.54 H new ATOM 0 H1' DT A 12 21.603 -10.230 4.886 1.00 0.57 H new ATOM 0 H3 DT A 12 20.688 -5.427 5.347 1.00 0.35 H new ATOM 0 H71 DT A 12 17.712 -8.786 8.300 1.00 0.65 H new ATOM 0 H72 DT A 12 19.025 -8.098 9.284 1.00 0.65 H new ATOM 0 H73 DT A 12 17.748 -7.039 8.639 1.00 0.65 H new ATOM 0 H6 DT A 12 19.164 -9.737 6.769 1.00 0.52 H new ATOM 390 P DT A 13 19.144 -8.477 0.138 1.00 0.40 P ATOM 391 OP1 DT A 13 19.409 -7.189 0.760 1.00 0.40 O ATOM 392 OP2 DT A 13 17.958 -8.583 -0.695 1.00 0.51 O ATOM 393 O5' DT A 13 20.404 -8.935 -0.662 1.00 0.44 O ATOM 394 C5' DT A 13 20.694 -10.184 -1.235 1.00 0.33 C ATOM 395 C4' DT A 13 20.006 -10.501 -2.546 1.00 0.21 C ATOM 396 O4' DT A 13 18.569 -10.724 -2.452 1.00 0.25 O ATOM 397 C3' DT A 13 20.236 -9.460 -3.651 1.00 0.27 C ATOM 398 O3' DT A 13 20.631 -10.038 -4.875 1.00 0.31 O ATOM 399 C2' DT A 13 18.759 -8.990 -3.766 1.00 0.26 C ATOM 400 C1' DT A 13 17.885 -10.219 -3.621 1.00 0.15 C ATOM 401 N1 DT A 13 16.449 -9.958 -3.464 1.00 0.24 N ATOM 402 C2 DT A 13 15.703 -9.636 -4.591 1.00 0.20 C ATOM 403 O2 DT A 13 16.174 -9.573 -5.703 1.00 0.21 O ATOM 404 N3 DT A 13 14.374 -9.378 -4.412 1.00 0.33 N ATOM 405 C4 DT A 13 13.730 -9.406 -3.229 1.00 0.52 C ATOM 406 O4 DT A 13 12.539 -9.150 -3.209 1.00 0.65 O ATOM 407 C5 DT A 13 14.551 -9.752 -2.073 1.00 0.59 C ATOM 408 C7 DT A 13 13.974 -9.817 -0.689 1.00 0.84 C ATOM 409 C6 DT A 13 15.858 -10.010 -2.240 1.00 0.43 C ATOM 0 H5' DT A 13 20.431 -10.959 -0.515 1.00 0.33 H new ATOM 0 H5'' DT A 13 21.771 -10.246 -1.391 1.00 0.33 H new ATOM 0 H4' DT A 13 20.493 -11.438 -2.815 1.00 0.21 H new ATOM 0 H3' DT A 13 21.008 -8.720 -3.442 1.00 0.27 H new ATOM 0 H2' DT A 13 18.526 -8.259 -2.992 1.00 0.26 H new ATOM 0 H2'' DT A 13 18.583 -8.504 -4.726 1.00 0.26 H new ATOM 0 H1' DT A 13 17.810 -10.888 -4.478 1.00 0.15 H new ATOM 0 H3 DT A 13 13.825 -9.146 -5.240 1.00 0.33 H new ATOM 0 H71 DT A 13 14.521 -10.553 -0.101 1.00 0.84 H new ATOM 0 H72 DT A 13 14.056 -8.839 -0.214 1.00 0.84 H new ATOM 0 H73 DT A 13 12.924 -10.105 -0.746 1.00 0.84 H new ATOM 0 H6 DT A 13 16.457 -10.266 -1.378 1.00 0.43 H new ATOM 422 P DG A 14 22.140 -10.458 -5.214 1.00 0.38 P ATOM 423 OP1 DG A 14 22.134 -11.777 -5.835 1.00 0.48 O ATOM 424 OP2 DG A 14 22.989 -10.211 -4.059 1.00 0.60 O ATOM 425 O5' DG A 14 22.546 -9.408 -6.341 1.00 0.31 O ATOM 426 C5' DG A 14 23.414 -9.711 -7.436 1.00 0.31 C ATOM 427 C4' DG A 14 23.447 -8.627 -8.497 1.00 0.23 C ATOM 428 O4' DG A 14 22.113 -8.280 -8.971 1.00 0.22 O ATOM 429 C3' DG A 14 24.047 -7.347 -7.949 1.00 0.27 C ATOM 430 O3' DG A 14 24.653 -6.590 -9.009 1.00 0.27 O ATOM 431 C2' DG A 14 22.654 -6.693 -7.574 1.00 0.35 C ATOM 432 C1' DG A 14 21.826 -6.897 -8.811 1.00 0.26 C ATOM 433 N9 DG A 14 20.377 -6.584 -8.729 1.00 0.25 N ATOM 434 C8 DG A 14 19.432 -6.488 -9.731 1.00 0.33 C ATOM 435 N7 DG A 14 18.234 -6.216 -9.303 1.00 0.33 N ATOM 436 C5 DG A 14 18.384 -6.122 -7.944 1.00 0.23 C ATOM 437 C6 DG A 14 17.418 -5.851 -6.981 1.00 0.20 C ATOM 438 O6 DG A 14 16.237 -5.610 -7.160 1.00 0.28 O ATOM 439 N1 DG A 14 17.929 -5.834 -5.722 1.00 0.17 N ATOM 440 C2 DG A 14 19.237 -6.053 -5.402 1.00 0.16 C ATOM 441 N2 DG A 14 19.568 -5.913 -4.121 1.00 0.21 N ATOM 442 N3 DG A 14 20.171 -6.321 -6.307 1.00 0.16 N ATOM 443 C4 DG A 14 19.675 -6.342 -7.567 1.00 0.19 C ATOM 0 H5' DG A 14 23.096 -10.648 -7.894 1.00 0.31 H new ATOM 0 H5'' DG A 14 24.424 -9.869 -7.057 1.00 0.31 H new ATOM 0 H4' DG A 14 24.046 -9.034 -9.311 1.00 0.23 H new ATOM 0 H3' DG A 14 24.811 -7.433 -7.177 1.00 0.27 H new ATOM 0 H2' DG A 14 22.205 -7.176 -6.706 1.00 0.35 H new ATOM 0 H2'' DG A 14 22.759 -5.636 -7.331 1.00 0.35 H new ATOM 0 H1' DG A 14 22.066 -6.224 -9.634 1.00 0.26 H new ATOM 0 H8 DG A 14 19.666 -6.626 -10.776 1.00 0.33 H new ATOM 0 H1 DG A 14 17.284 -5.642 -4.956 1.00 0.17 H new ATOM 0 H21 DG A 14 20.532 -6.064 -3.824 1.00 0.21 H new ATOM 0 H22 DG A 14 18.858 -5.654 -3.436 1.00 0.21 H new ATOM 455 P DG A 15 25.382 -5.174 -8.780 1.00 0.35 P ATOM 456 OP1 DG A 15 26.549 -5.110 -9.665 1.00 0.44 O ATOM 457 OP2 DG A 15 25.541 -4.916 -7.334 1.00 0.41 O ATOM 458 O5' DG A 15 24.286 -4.143 -9.356 1.00 0.35 O ATOM 459 C5' DG A 15 23.777 -4.303 -10.686 1.00 0.31 C ATOM 460 C4' DG A 15 22.616 -3.373 -11.026 1.00 0.33 C ATOM 461 O4' DG A 15 21.514 -3.620 -10.100 1.00 0.29 O ATOM 462 C3' DG A 15 22.978 -1.873 -10.877 1.00 0.38 C ATOM 463 O3' DG A 15 22.030 -1.043 -11.569 1.00 0.41 O ATOM 464 C2' DG A 15 22.683 -1.782 -9.347 1.00 0.35 C ATOM 465 C1' DG A 15 21.304 -2.464 -9.256 1.00 0.32 C ATOM 466 N9 DG A 15 20.417 -2.681 -8.072 1.00 0.27 N ATOM 467 C8 DG A 15 20.617 -2.906 -6.717 1.00 0.28 C ATOM 468 N7 DG A 15 19.502 -2.996 -6.044 1.00 0.26 N ATOM 469 C5 DG A 15 18.509 -2.824 -6.991 1.00 0.22 C ATOM 470 C6 DG A 15 17.097 -2.816 -6.845 1.00 0.21 C ATOM 471 O6 DG A 15 16.412 -2.980 -5.842 1.00 0.25 O ATOM 472 N1 DG A 15 16.458 -2.616 -8.038 1.00 0.21 N ATOM 473 C2 DG A 15 17.086 -2.433 -9.229 1.00 0.23 C ATOM 474 N2 DG A 15 16.343 -2.264 -10.297 1.00 0.24 N ATOM 475 N3 DG A 15 18.404 -2.432 -9.383 1.00 0.25 N ATOM 476 C4 DG A 15 19.055 -2.631 -8.221 1.00 0.23 C ATOM 0 H5' DG A 15 23.452 -5.335 -10.817 1.00 0.31 H new ATOM 0 H5'' DG A 15 24.586 -4.131 -11.396 1.00 0.31 H new ATOM 0 H4' DG A 15 22.355 -3.579 -12.064 1.00 0.33 H new ATOM 0 H3' DG A 15 23.960 -1.572 -11.242 1.00 0.38 H new ATOM 0 H2' DG A 15 23.436 -2.300 -8.753 1.00 0.35 H new ATOM 0 H2'' DG A 15 22.654 -0.750 -8.996 1.00 0.35 H new ATOM 0 HO3' DG A 15 22.278 -0.101 -11.459 1.00 0.41 H new ATOM 0 H1' DG A 15 20.596 -1.669 -9.493 1.00 0.32 H new ATOM 0 H8 DG A 15 21.594 -2.997 -6.266 1.00 0.28 H new ATOM 0 H1 DG A 15 15.438 -2.603 -8.033 1.00 0.21 H new ATOM 0 H21 DG A 15 16.782 -2.124 -11.207 1.00 0.24 H new ATOM 0 H22 DG A 15 15.326 -2.273 -10.217 1.00 0.24 H new TER 489 DG A 15