USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=5 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 69:sc= 1.03 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.0353 (180deg=-3.05!) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.505 (180deg=-4.12!) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.787 (180deg=-0.787) USER MOD Single : A 13 DT C7 :methyl -30:sc= 0 (180deg=-1.13) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.535 -1.998 -9.427 1.00 0.45 O ATOM 2 C5' DG A 1 6.008 -0.993 -10.318 1.00 0.36 C ATOM 3 C4' DG A 1 6.797 -0.914 -11.637 1.00 0.25 C ATOM 4 O4' DG A 1 8.187 -0.685 -11.320 1.00 0.20 O ATOM 5 C3' DG A 1 6.720 -2.163 -12.508 1.00 0.32 C ATOM 6 O3' DG A 1 6.869 -1.942 -13.901 1.00 0.36 O ATOM 7 C2' DG A 1 7.939 -2.869 -11.954 1.00 0.31 C ATOM 8 C1' DG A 1 8.966 -1.761 -11.845 1.00 0.21 C ATOM 9 N9 DG A 1 10.153 -2.087 -11.038 1.00 0.18 N ATOM 10 C8 DG A 1 11.438 -2.366 -11.466 1.00 0.20 C ATOM 11 N7 DG A 1 12.280 -2.596 -10.507 1.00 0.20 N ATOM 12 C5 DG A 1 11.503 -2.464 -9.360 1.00 0.16 C ATOM 13 C6 DG A 1 11.879 -2.602 -7.993 1.00 0.17 C ATOM 14 O6 DG A 1 12.990 -2.890 -7.556 1.00 0.23 O ATOM 15 N1 DG A 1 10.803 -2.385 -7.135 1.00 0.14 N ATOM 16 C2 DG A 1 9.538 -2.086 -7.542 1.00 0.09 C ATOM 17 N2 DG A 1 8.607 -1.917 -6.621 1.00 0.14 N ATOM 18 N3 DG A 1 9.182 -1.955 -8.817 1.00 0.12 N ATOM 19 C4 DG A 1 10.206 -2.153 -9.674 1.00 0.14 C ATOM 0 H5' DG A 1 6.033 -0.022 -9.823 1.00 0.36 H new ATOM 0 H5'' DG A 1 4.963 -1.214 -10.534 1.00 0.36 H new ATOM 0 H4' DG A 1 6.343 -0.106 -12.211 1.00 0.25 H new ATOM 0 H3' DG A 1 5.757 -2.673 -12.463 1.00 0.32 H new ATOM 0 H2' DG A 1 7.734 -3.324 -10.985 1.00 0.31 H new ATOM 0 H2'' DG A 1 8.277 -3.667 -12.616 1.00 0.31 H new ATOM 0 HO5' DG A 1 7.412 -1.714 -9.096 1.00 0.45 H new ATOM 0 H1' DG A 1 9.438 -1.535 -12.801 1.00 0.21 H new ATOM 0 H8 DG A 1 11.716 -2.390 -12.509 1.00 0.20 H new ATOM 0 H1 DG A 1 10.975 -2.455 -6.132 1.00 0.14 H new ATOM 0 H21 DG A 1 7.651 -1.692 -6.897 1.00 0.14 H new ATOM 0 H22 DG A 1 8.844 -2.011 -5.633 1.00 0.14 H new ATOM 32 P DG A 2 6.704 -3.068 -15.036 1.00 0.49 P ATOM 33 OP1 DG A 2 6.976 -2.447 -16.325 1.00 0.63 O ATOM 34 OP2 DG A 2 5.482 -3.846 -14.848 1.00 0.65 O ATOM 35 O5' DG A 2 7.937 -4.084 -14.754 1.00 0.41 O ATOM 36 C5' DG A 2 9.289 -3.786 -15.098 1.00 0.37 C ATOM 37 C4' DG A 2 10.272 -4.717 -14.416 1.00 0.31 C ATOM 38 O4' DG A 2 10.355 -4.473 -12.989 1.00 0.22 O ATOM 39 C3' DG A 2 10.036 -6.227 -14.622 1.00 0.25 C ATOM 40 O3' DG A 2 11.214 -6.925 -14.988 1.00 0.35 O ATOM 41 C2' DG A 2 9.748 -6.561 -13.178 1.00 0.20 C ATOM 42 C1' DG A 2 10.718 -5.705 -12.383 1.00 0.21 C ATOM 43 N9 DG A 2 10.664 -5.675 -10.907 1.00 0.17 N ATOM 44 C8 DG A 2 9.686 -5.233 -10.060 1.00 0.17 C ATOM 45 N7 DG A 2 9.974 -5.351 -8.794 1.00 0.19 N ATOM 46 C5 DG A 2 11.241 -5.920 -8.798 1.00 0.19 C ATOM 47 C6 DG A 2 12.096 -6.295 -7.726 1.00 0.23 C ATOM 48 O6 DG A 2 11.923 -6.221 -6.514 1.00 0.27 O ATOM 49 N1 DG A 2 13.287 -6.825 -8.183 1.00 0.26 N ATOM 50 C2 DG A 2 13.619 -6.989 -9.498 1.00 0.24 C ATOM 51 N2 DG A 2 14.799 -7.515 -9.813 1.00 0.27 N ATOM 52 N3 DG A 2 12.839 -6.647 -10.502 1.00 0.19 N ATOM 53 C4 DG A 2 11.666 -6.120 -10.084 1.00 0.17 C ATOM 0 H5' DG A 2 9.514 -2.756 -14.821 1.00 0.37 H new ATOM 0 H5'' DG A 2 9.412 -3.859 -16.179 1.00 0.37 H new ATOM 0 H4' DG A 2 11.207 -4.470 -14.919 1.00 0.31 H new ATOM 0 H3' DG A 2 9.303 -6.472 -15.390 1.00 0.25 H new ATOM 0 H2' DG A 2 8.714 -6.334 -12.918 1.00 0.20 H new ATOM 0 H2'' DG A 2 9.901 -7.622 -12.979 1.00 0.20 H new ATOM 0 H1' DG A 2 11.746 -6.063 -12.437 1.00 0.21 H new ATOM 0 H8 DG A 2 8.752 -4.820 -10.411 1.00 0.17 H new ATOM 0 H1 DG A 2 13.971 -7.116 -7.485 1.00 0.26 H new ATOM 0 H21 DG A 2 15.056 -7.641 -10.792 1.00 0.27 H new ATOM 0 H22 DG A 2 15.447 -7.792 -9.076 1.00 0.27 H new ATOM 65 P DT A 3 11.145 -8.233 -15.904 1.00 0.40 P ATOM 66 OP1 DT A 3 12.233 -9.123 -15.506 1.00 0.57 O ATOM 67 OP2 DT A 3 11.059 -7.752 -17.272 1.00 0.48 O ATOM 68 O5' DT A 3 9.728 -8.874 -15.503 1.00 0.43 O ATOM 69 C5' DT A 3 9.489 -9.977 -14.628 1.00 0.48 C ATOM 70 C4' DT A 3 8.007 -10.131 -14.249 1.00 0.37 C ATOM 71 O4' DT A 3 7.180 -10.202 -15.391 1.00 0.42 O ATOM 72 C3' DT A 3 7.456 -8.906 -13.523 1.00 0.22 C ATOM 73 O3' DT A 3 7.778 -8.890 -12.125 1.00 0.22 O ATOM 74 C2' DT A 3 5.929 -9.037 -13.759 1.00 0.31 C ATOM 75 C1' DT A 3 6.069 -9.311 -15.263 1.00 0.37 C ATOM 76 N1 DT A 3 6.230 -8.086 -16.090 1.00 0.40 N ATOM 77 C2 DT A 3 5.547 -6.942 -15.782 1.00 0.48 C ATOM 78 O2 DT A 3 4.773 -6.845 -14.859 1.00 0.57 O ATOM 79 N3 DT A 3 5.780 -5.873 -16.605 1.00 0.53 N ATOM 80 C4 DT A 3 6.612 -5.811 -17.685 1.00 0.51 C ATOM 81 O4 DT A 3 6.695 -4.757 -18.301 1.00 0.58 O ATOM 82 C5 DT A 3 7.278 -7.026 -17.936 1.00 0.51 C ATOM 83 C7 DT A 3 8.250 -7.116 -19.091 1.00 0.67 C ATOM 84 C6 DT A 3 7.084 -8.099 -17.168 1.00 0.47 C ATOM 0 H5' DT A 3 10.079 -9.849 -13.721 1.00 0.48 H new ATOM 0 H5'' DT A 3 9.834 -10.894 -15.106 1.00 0.48 H new ATOM 0 H4' DT A 3 7.989 -11.032 -13.636 1.00 0.37 H new ATOM 0 H3' DT A 3 7.882 -7.973 -13.892 1.00 0.22 H new ATOM 0 H2' DT A 3 5.465 -9.852 -13.203 1.00 0.31 H new ATOM 0 H2'' DT A 3 5.367 -8.132 -13.526 1.00 0.31 H new ATOM 0 H1' DT A 3 5.149 -9.750 -15.650 1.00 0.37 H new ATOM 0 H3 DT A 3 5.269 -5.018 -16.384 1.00 0.53 H new ATOM 0 H71 DT A 3 9.027 -7.844 -18.857 1.00 0.67 H new ATOM 0 H72 DT A 3 7.719 -7.429 -19.990 1.00 0.67 H new ATOM 0 H73 DT A 3 8.706 -6.140 -19.260 1.00 0.67 H new ATOM 0 H6 DT A 3 7.616 -9.010 -17.401 1.00 0.47 H new ATOM 97 P DT A 4 7.331 -7.742 -11.084 1.00 0.17 P ATOM 98 OP1 DT A 4 7.279 -6.455 -11.795 1.00 0.25 O ATOM 99 OP2 DT A 4 8.225 -7.829 -9.933 1.00 0.23 O ATOM 100 O5' DT A 4 5.851 -8.148 -10.661 1.00 0.22 O ATOM 101 C5' DT A 4 5.332 -9.331 -9.986 1.00 0.24 C ATOM 102 C4' DT A 4 5.814 -9.515 -8.540 1.00 0.25 C ATOM 103 O4' DT A 4 7.196 -9.896 -8.503 1.00 0.27 O ATOM 104 C3' DT A 4 5.635 -8.243 -7.685 1.00 0.24 C ATOM 105 O3' DT A 4 4.794 -8.336 -6.559 1.00 0.38 O ATOM 106 C2' DT A 4 7.070 -8.011 -7.316 1.00 0.24 C ATOM 107 C1' DT A 4 7.736 -9.383 -7.279 1.00 0.26 C ATOM 108 N1 DT A 4 9.236 -9.385 -7.299 1.00 0.27 N ATOM 109 C2 DT A 4 9.919 -8.902 -6.188 1.00 0.32 C ATOM 110 O2 DT A 4 9.359 -8.500 -5.178 1.00 0.41 O ATOM 111 N3 DT A 4 11.284 -8.910 -6.283 1.00 0.34 N ATOM 112 C4 DT A 4 12.023 -9.335 -7.352 1.00 0.35 C ATOM 113 O4 DT A 4 13.241 -9.244 -7.265 1.00 0.42 O ATOM 114 C5 DT A 4 11.245 -9.823 -8.457 1.00 0.31 C ATOM 115 C7 DT A 4 11.961 -10.338 -9.733 1.00 0.37 C ATOM 116 C6 DT A 4 9.907 -9.837 -8.406 1.00 0.28 C ATOM 0 H5' DT A 4 5.613 -10.213 -10.562 1.00 0.24 H new ATOM 0 H5'' DT A 4 4.243 -9.283 -9.987 1.00 0.24 H new ATOM 0 H4' DT A 4 5.192 -10.305 -8.119 1.00 0.25 H new ATOM 0 H3' DT A 4 5.119 -7.445 -8.218 1.00 0.24 H new ATOM 0 H2' DT A 4 7.558 -7.363 -8.044 1.00 0.24 H new ATOM 0 H2'' DT A 4 7.146 -7.517 -6.348 1.00 0.24 H new ATOM 0 H1' DT A 4 7.544 -9.939 -6.361 1.00 0.26 H new ATOM 0 H3 DT A 4 11.802 -8.564 -5.475 1.00 0.34 H new ATOM 0 H71 DT A 4 11.354 -11.112 -10.204 1.00 0.37 H new ATOM 0 H72 DT A 4 12.101 -9.512 -10.430 1.00 0.37 H new ATOM 0 H73 DT A 4 12.932 -10.753 -9.463 1.00 0.37 H new ATOM 0 H6 DT A 4 9.347 -10.210 -9.251 1.00 0.28 H new ATOM 129 P DG A 5 4.300 -6.977 -5.781 1.00 0.38 P ATOM 130 OP1 DG A 5 2.836 -6.880 -5.843 1.00 0.51 O ATOM 131 OP2 DG A 5 5.109 -5.863 -6.296 1.00 0.36 O ATOM 132 O5' DG A 5 4.744 -7.277 -4.266 1.00 0.42 O ATOM 133 C5' DG A 5 3.856 -7.425 -3.166 1.00 0.37 C ATOM 134 C4' DG A 5 3.916 -6.280 -2.136 1.00 0.34 C ATOM 135 O4' DG A 5 5.273 -6.233 -1.674 1.00 0.29 O ATOM 136 C3' DG A 5 3.593 -4.879 -2.686 1.00 0.33 C ATOM 137 O3' DG A 5 3.261 -3.962 -1.618 1.00 0.33 O ATOM 138 C2' DG A 5 5.001 -4.577 -3.161 1.00 0.29 C ATOM 139 C1' DG A 5 5.859 -4.967 -1.973 1.00 0.19 C ATOM 140 N9 DG A 5 7.295 -4.931 -2.211 1.00 0.21 N ATOM 141 C8 DG A 5 8.272 -4.817 -1.270 1.00 0.27 C ATOM 142 N7 DG A 5 9.477 -4.772 -1.751 1.00 0.33 N ATOM 143 C5 DG A 5 9.298 -4.859 -3.120 1.00 0.28 C ATOM 144 C6 DG A 5 10.248 -4.860 -4.172 1.00 0.32 C ATOM 145 O6 DG A 5 11.459 -4.743 -4.122 1.00 0.38 O ATOM 146 N1 DG A 5 9.631 -4.972 -5.402 1.00 0.28 N ATOM 147 C2 DG A 5 8.289 -5.066 -5.603 1.00 0.23 C ATOM 148 N2 DG A 5 7.874 -5.131 -6.850 1.00 0.25 N ATOM 149 N3 DG A 5 7.390 -5.062 -4.634 1.00 0.21 N ATOM 150 C4 DG A 5 7.958 -4.962 -3.414 1.00 0.22 C ATOM 0 H5' DG A 5 4.079 -8.364 -2.660 1.00 0.37 H new ATOM 0 H5'' DG A 5 2.837 -7.502 -3.546 1.00 0.37 H new ATOM 0 H4' DG A 5 3.164 -6.496 -1.377 1.00 0.34 H new ATOM 0 H3' DG A 5 2.769 -4.809 -3.396 1.00 0.33 H new ATOM 0 H2' DG A 5 5.258 -5.153 -4.050 1.00 0.29 H new ATOM 0 H2'' DG A 5 5.122 -3.525 -3.417 1.00 0.29 H new ATOM 0 H1' DG A 5 5.848 -4.275 -1.131 1.00 0.19 H new ATOM 0 H8 DG A 5 8.062 -4.768 -0.212 1.00 0.27 H new ATOM 0 H1 DG A 5 10.230 -4.985 -6.227 1.00 0.28 H new ATOM 0 H21 DG A 5 6.877 -5.202 -7.053 1.00 0.25 H new ATOM 0 H22 DG A 5 8.549 -5.110 -7.614 1.00 0.25 H new ATOM 162 P DG A 6 2.918 -2.398 -1.919 1.00 0.31 P ATOM 163 OP1 DG A 6 1.503 -2.311 -2.331 1.00 0.43 O ATOM 164 OP2 DG A 6 3.954 -1.754 -2.741 1.00 0.34 O ATOM 165 O5' DG A 6 3.040 -1.807 -0.433 1.00 0.28 O ATOM 166 C5' DG A 6 3.557 -0.517 -0.071 1.00 0.25 C ATOM 167 C4' DG A 6 5.024 -0.602 0.341 1.00 0.19 C ATOM 168 O4' DG A 6 5.912 -1.088 -0.681 1.00 0.25 O ATOM 169 C3' DG A 6 5.551 0.770 0.784 1.00 0.20 C ATOM 170 O3' DG A 6 6.122 0.630 2.080 1.00 0.24 O ATOM 171 C2' DG A 6 6.573 1.011 -0.337 1.00 0.18 C ATOM 172 C1' DG A 6 7.144 -0.358 -0.635 1.00 0.18 C ATOM 173 N9 DG A 6 7.910 -0.638 -1.873 1.00 0.17 N ATOM 174 C8 DG A 6 7.444 -0.836 -3.146 1.00 0.21 C ATOM 175 N7 DG A 6 8.351 -1.143 -4.018 1.00 0.19 N ATOM 176 C5 DG A 6 9.526 -1.150 -3.283 1.00 0.15 C ATOM 177 C6 DG A 6 10.862 -1.420 -3.703 1.00 0.16 C ATOM 178 O6 DG A 6 11.280 -1.719 -4.817 1.00 0.19 O ATOM 179 N1 DG A 6 11.752 -1.319 -2.646 1.00 0.16 N ATOM 180 C2 DG A 6 11.406 -1.000 -1.355 1.00 0.15 C ATOM 181 N2 DG A 6 12.356 -0.925 -0.465 1.00 0.19 N ATOM 182 N3 DG A 6 10.169 -0.751 -0.965 1.00 0.15 N ATOM 183 C4 DG A 6 9.271 -0.842 -1.968 1.00 0.14 C ATOM 0 H5' DG A 6 2.970 -0.105 0.750 1.00 0.25 H new ATOM 0 H5'' DG A 6 3.453 0.168 -0.912 1.00 0.25 H new ATOM 0 H4' DG A 6 5.025 -1.324 1.158 1.00 0.19 H new ATOM 0 H3' DG A 6 4.841 1.590 0.890 1.00 0.20 H new ATOM 0 H2' DG A 6 6.100 1.443 -1.219 1.00 0.18 H new ATOM 0 H2'' DG A 6 7.352 1.705 -0.021 1.00 0.18 H new ATOM 0 H1' DG A 6 7.925 -0.582 0.092 1.00 0.18 H new ATOM 0 H8 DG A 6 6.399 -0.743 -3.403 1.00 0.21 H new ATOM 0 H1 DG A 6 12.738 -1.495 -2.841 1.00 0.16 H new ATOM 0 H21 DG A 6 12.132 -0.690 0.502 1.00 0.19 H new ATOM 0 H22 DG A 6 13.324 -1.101 -0.736 1.00 0.19 H new ATOM 195 P DT A 7 5.307 0.174 3.410 1.00 0.22 P ATOM 196 OP1 DT A 7 4.831 -1.201 3.182 1.00 0.25 O ATOM 197 OP2 DT A 7 4.333 1.219 3.812 1.00 0.29 O ATOM 198 O5' DT A 7 6.461 0.055 4.572 1.00 0.22 O ATOM 199 C5' DT A 7 7.271 -1.113 4.899 1.00 0.22 C ATOM 200 C4' DT A 7 8.640 -1.083 4.199 1.00 0.17 C ATOM 201 O4' DT A 7 9.476 -2.224 4.516 1.00 0.19 O ATOM 202 C3' DT A 7 8.540 -1.083 2.677 1.00 0.19 C ATOM 203 O3' DT A 7 8.905 0.179 2.060 1.00 0.27 O ATOM 204 C2' DT A 7 9.448 -2.210 2.325 1.00 0.19 C ATOM 205 C1' DT A 7 10.455 -2.321 3.453 1.00 0.18 C ATOM 206 N1 DT A 7 11.297 -3.535 3.409 1.00 0.19 N ATOM 207 C2 DT A 7 12.144 -3.706 2.329 1.00 0.17 C ATOM 208 O2 DT A 7 12.227 -2.912 1.406 1.00 0.19 O ATOM 209 N3 DT A 7 12.910 -4.847 2.309 1.00 0.19 N ATOM 210 C4 DT A 7 12.926 -5.837 3.250 1.00 0.23 C ATOM 211 O4 DT A 7 13.657 -6.800 3.084 1.00 0.30 O ATOM 212 C5 DT A 7 12.017 -5.607 4.375 1.00 0.25 C ATOM 213 C7 DT A 7 11.906 -6.590 5.530 1.00 0.32 C ATOM 214 C6 DT A 7 11.254 -4.479 4.402 1.00 0.24 C ATOM 0 H5' DT A 7 6.736 -2.017 4.609 1.00 0.22 H new ATOM 0 H5'' DT A 7 7.417 -1.161 5.978 1.00 0.22 H new ATOM 0 H4' DT A 7 9.076 -0.156 4.571 1.00 0.17 H new ATOM 0 H3' DT A 7 7.522 -1.207 2.307 1.00 0.19 H new ATOM 0 H2' DT A 7 8.888 -3.138 2.212 1.00 0.19 H new ATOM 0 H2'' DT A 7 9.949 -2.022 1.375 1.00 0.19 H new ATOM 0 H1' DT A 7 11.271 -1.600 3.495 1.00 0.18 H new ATOM 0 H3 DT A 7 13.531 -4.967 1.509 1.00 0.19 H new ATOM 0 H71 DT A 7 12.117 -7.598 5.172 1.00 0.32 H new ATOM 0 H72 DT A 7 12.624 -6.323 6.305 1.00 0.32 H new ATOM 0 H73 DT A 7 10.897 -6.555 5.942 1.00 0.32 H new ATOM 0 H6 DT A 7 10.589 -4.322 5.239 1.00 0.24 H new ATOM 227 P DG A 8 10.237 1.046 2.331 1.00 0.22 P ATOM 228 OP1 DG A 8 11.330 0.360 1.638 1.00 0.22 O ATOM 229 OP2 DG A 8 10.304 1.313 3.778 1.00 0.36 O ATOM 230 O5' DG A 8 9.851 2.442 1.595 1.00 0.27 O ATOM 231 C5' DG A 8 10.779 3.377 0.984 1.00 0.27 C ATOM 232 C4' DG A 8 11.583 2.737 -0.149 1.00 0.25 C ATOM 233 O4' DG A 8 10.657 2.158 -1.072 1.00 0.31 O ATOM 234 C3' DG A 8 12.436 3.727 -0.996 1.00 0.27 C ATOM 235 O3' DG A 8 12.804 4.959 -0.404 1.00 0.27 O ATOM 236 C2' DG A 8 11.488 3.919 -2.120 1.00 0.28 C ATOM 237 C1' DG A 8 10.942 2.533 -2.404 1.00 0.27 C ATOM 238 N9 DG A 8 9.701 2.405 -3.172 1.00 0.27 N ATOM 239 C8 DG A 8 8.428 2.760 -2.821 1.00 0.30 C ATOM 240 N7 DG A 8 7.541 2.480 -3.709 1.00 0.29 N ATOM 241 C5 DG A 8 8.270 1.896 -4.727 1.00 0.24 C ATOM 242 C6 DG A 8 7.831 1.385 -5.969 1.00 0.26 C ATOM 243 O6 DG A 8 6.706 1.331 -6.445 1.00 0.32 O ATOM 244 N1 DG A 8 8.878 0.884 -6.699 1.00 0.23 N ATOM 245 C2 DG A 8 10.184 0.875 -6.304 1.00 0.19 C ATOM 246 N2 DG A 8 11.014 0.344 -7.174 1.00 0.20 N ATOM 247 N3 DG A 8 10.634 1.346 -5.146 1.00 0.18 N ATOM 248 C4 DG A 8 9.604 1.847 -4.407 1.00 0.21 C ATOM 0 H5' DG A 8 11.463 3.756 1.743 1.00 0.27 H new ATOM 0 H5'' DG A 8 10.227 4.233 0.597 1.00 0.27 H new ATOM 0 H4' DG A 8 12.260 2.034 0.337 1.00 0.25 H new ATOM 0 H3' DG A 8 13.430 3.337 -1.215 1.00 0.27 H new ATOM 0 H2' DG A 8 10.690 4.611 -1.851 1.00 0.28 H new ATOM 0 H2'' DG A 8 11.989 4.334 -2.994 1.00 0.28 H new ATOM 0 H1' DG A 8 11.640 1.964 -3.018 1.00 0.27 H new ATOM 0 H8 DG A 8 8.189 3.234 -1.881 1.00 0.30 H new ATOM 0 H1 DG A 8 8.663 0.485 -7.613 1.00 0.23 H new ATOM 0 H21 DG A 8 12.011 0.295 -6.963 1.00 0.20 H new ATOM 0 H22 DG A 8 10.661 -0.019 -8.060 1.00 0.20 H new ATOM 260 P DT A 9 14.034 5.054 0.700 1.00 0.31 P ATOM 261 OP1 DT A 9 13.543 4.397 1.937 1.00 0.30 O ATOM 262 OP2 DT A 9 14.462 6.463 0.754 1.00 0.31 O ATOM 263 O5' DT A 9 15.167 4.204 0.058 1.00 0.35 O ATOM 264 C5' DT A 9 15.856 3.207 0.813 1.00 0.30 C ATOM 265 C4' DT A 9 16.610 2.179 -0.056 1.00 0.25 C ATOM 266 O4' DT A 9 15.694 1.518 -0.976 1.00 0.24 O ATOM 267 C3' DT A 9 17.669 2.855 -0.917 1.00 0.24 C ATOM 268 O3' DT A 9 18.868 2.085 -0.820 1.00 0.27 O ATOM 269 C2' DT A 9 16.964 2.791 -2.249 1.00 0.21 C ATOM 270 C1' DT A 9 16.375 1.405 -2.234 1.00 0.18 C ATOM 271 N1 DT A 9 15.633 1.095 -3.485 1.00 0.17 N ATOM 272 C2 DT A 9 14.252 1.158 -3.473 1.00 0.18 C ATOM 273 O2 DT A 9 13.562 1.454 -2.496 1.00 0.21 O ATOM 274 N3 DT A 9 13.627 0.852 -4.652 1.00 0.16 N ATOM 275 C4 DT A 9 14.227 0.490 -5.823 1.00 0.17 C ATOM 276 O4 DT A 9 13.559 0.223 -6.796 1.00 0.23 O ATOM 277 C5 DT A 9 15.673 0.452 -5.760 1.00 0.17 C ATOM 278 C7 DT A 9 16.508 0.051 -6.966 1.00 0.23 C ATOM 279 C6 DT A 9 16.304 0.747 -4.633 1.00 0.17 C ATOM 0 H5' DT A 9 15.138 2.680 1.442 1.00 0.30 H new ATOM 0 H5'' DT A 9 16.566 3.696 1.480 1.00 0.30 H new ATOM 0 H4' DT A 9 17.068 1.467 0.631 1.00 0.25 H new ATOM 0 H3' DT A 9 17.988 3.868 -0.670 1.00 0.24 H new ATOM 0 H2' DT A 9 16.195 3.559 -2.340 1.00 0.21 H new ATOM 0 H2'' DT A 9 17.654 2.931 -3.081 1.00 0.21 H new ATOM 0 H1' DT A 9 17.021 0.528 -2.262 1.00 0.18 H new ATOM 0 H3 DT A 9 12.608 0.899 -4.656 1.00 0.16 H new ATOM 0 H71 DT A 9 15.945 -0.652 -7.581 1.00 0.23 H new ATOM 0 H72 DT A 9 16.747 0.937 -7.554 1.00 0.23 H new ATOM 0 H73 DT A 9 17.431 -0.420 -6.629 1.00 0.23 H new ATOM 0 H6 DT A 9 17.383 0.713 -4.616 1.00 0.17 H new ATOM 292 P DG A 10 19.804 1.720 -2.082 1.00 0.28 P ATOM 293 OP1 DG A 10 20.210 2.983 -2.717 1.00 0.40 O ATOM 294 OP2 DG A 10 19.119 0.705 -2.888 1.00 0.29 O ATOM 295 O5' DG A 10 21.099 1.054 -1.435 1.00 0.41 O ATOM 296 C5' DG A 10 21.284 -0.330 -1.087 1.00 0.37 C ATOM 297 C4' DG A 10 20.704 -0.698 0.300 1.00 0.30 C ATOM 298 O4' DG A 10 19.294 -0.413 0.304 1.00 0.25 O ATOM 299 C3' DG A 10 20.880 -2.199 0.610 1.00 0.27 C ATOM 300 O3' DG A 10 21.211 -2.564 1.986 1.00 0.22 O ATOM 301 C2' DG A 10 19.527 -2.629 0.182 1.00 0.23 C ATOM 302 C1' DG A 10 18.534 -1.580 0.668 1.00 0.15 C ATOM 303 N9 DG A 10 17.247 -1.614 -0.076 1.00 0.15 N ATOM 304 C8 DG A 10 15.970 -1.429 0.403 1.00 0.20 C ATOM 305 N7 DG A 10 15.044 -1.517 -0.513 1.00 0.21 N ATOM 306 C5 DG A 10 15.778 -1.775 -1.680 1.00 0.14 C ATOM 307 C6 DG A 10 15.337 -1.971 -3.016 1.00 0.15 C ATOM 308 O6 DG A 10 14.193 -1.963 -3.452 1.00 0.18 O ATOM 309 N1 DG A 10 16.384 -2.205 -3.867 1.00 0.20 N ATOM 310 C2 DG A 10 17.695 -2.243 -3.504 1.00 0.24 C ATOM 311 N2 DG A 10 18.615 -2.458 -4.419 1.00 0.32 N ATOM 312 N3 DG A 10 18.119 -2.066 -2.273 1.00 0.20 N ATOM 313 C4 DG A 10 17.115 -1.835 -1.414 1.00 0.14 C ATOM 0 H5' DG A 10 22.349 -0.561 -1.100 1.00 0.37 H new ATOM 0 H5'' DG A 10 20.813 -0.954 -1.847 1.00 0.37 H new ATOM 0 H4' DG A 10 21.237 -0.115 1.051 1.00 0.30 H new ATOM 0 H3' DG A 10 21.738 -2.664 0.125 1.00 0.27 H new ATOM 0 H2' DG A 10 19.481 -2.726 -0.903 1.00 0.23 H new ATOM 0 H2'' DG A 10 19.286 -3.607 0.600 1.00 0.23 H new ATOM 0 H1' DG A 10 18.229 -1.677 1.710 1.00 0.15 H new ATOM 0 H8 DG A 10 15.754 -1.229 1.442 1.00 0.20 H new ATOM 0 H1 DG A 10 16.164 -2.363 -4.850 1.00 0.20 H new ATOM 0 H21 DG A 10 19.600 -2.488 -4.155 1.00 0.32 H new ATOM 0 H22 DG A 10 18.344 -2.595 -5.393 1.00 0.32 H new ATOM 325 P DG A 11 21.262 -4.121 2.427 1.00 0.18 P ATOM 326 OP1 DG A 11 21.993 -4.185 3.708 1.00 0.21 O ATOM 327 OP2 DG A 11 21.704 -4.939 1.279 1.00 0.27 O ATOM 328 O5' DG A 11 19.717 -4.431 2.762 1.00 0.20 O ATOM 329 C5' DG A 11 18.933 -3.722 3.721 1.00 0.18 C ATOM 330 C4' DG A 11 17.443 -4.042 3.597 1.00 0.17 C ATOM 331 O4' DG A 11 16.992 -3.851 2.240 1.00 0.17 O ATOM 332 C3' DG A 11 17.258 -5.554 3.935 1.00 0.18 C ATOM 333 O3' DG A 11 15.986 -5.956 4.504 1.00 0.22 O ATOM 334 C2' DG A 11 17.368 -6.076 2.517 1.00 0.18 C ATOM 335 C1' DG A 11 16.485 -5.100 1.766 1.00 0.18 C ATOM 336 N9 DG A 11 16.455 -5.179 0.284 1.00 0.18 N ATOM 337 C8 DG A 11 17.467 -5.356 -0.604 1.00 0.30 C ATOM 338 N7 DG A 11 17.100 -5.318 -1.843 1.00 0.30 N ATOM 339 C5 DG A 11 15.750 -5.111 -1.780 1.00 0.19 C ATOM 340 C6 DG A 11 14.826 -4.983 -2.808 1.00 0.21 C ATOM 341 O6 DG A 11 15.068 -5.060 -3.996 1.00 0.25 O ATOM 342 N1 DG A 11 13.553 -4.777 -2.342 1.00 0.26 N ATOM 343 C2 DG A 11 13.233 -4.693 -1.001 1.00 0.32 C ATOM 344 N2 DG A 11 12.000 -4.432 -0.684 1.00 0.49 N ATOM 345 N3 DG A 11 14.113 -4.819 0.000 1.00 0.24 N ATOM 346 C4 DG A 11 15.349 -5.018 -0.485 1.00 0.16 C ATOM 0 H5' DG A 11 19.085 -2.650 3.592 1.00 0.18 H new ATOM 0 H5'' DG A 11 19.275 -3.973 4.725 1.00 0.18 H new ATOM 0 H4' DG A 11 16.879 -3.391 4.265 1.00 0.17 H new ATOM 0 H3' DG A 11 17.949 -5.904 4.701 1.00 0.18 H new ATOM 0 H2' DG A 11 18.396 -6.063 2.154 1.00 0.18 H new ATOM 0 H2'' DG A 11 17.012 -7.102 2.429 1.00 0.18 H new ATOM 0 H1' DG A 11 15.432 -5.303 1.962 1.00 0.18 H new ATOM 0 H8 DG A 11 18.491 -5.515 -0.301 1.00 0.30 H new ATOM 0 H1 DG A 11 12.800 -4.680 -3.024 1.00 0.26 H new ATOM 0 H21 DG A 11 11.729 -4.363 0.297 1.00 0.49 H new ATOM 0 H22 DG A 11 11.303 -4.296 -1.416 1.00 0.49 H new ATOM 358 P DT A 12 15.989 -7.199 5.520 1.00 0.32 P ATOM 359 OP1 DT A 12 14.677 -7.852 5.458 1.00 0.40 O ATOM 360 OP2 DT A 12 16.482 -6.700 6.805 1.00 0.46 O ATOM 361 O5' DT A 12 17.119 -8.209 4.937 1.00 0.32 O ATOM 362 C5' DT A 12 16.902 -9.401 4.182 1.00 0.36 C ATOM 363 C4' DT A 12 18.209 -9.945 3.619 1.00 0.40 C ATOM 364 O4' DT A 12 19.151 -10.086 4.688 1.00 0.46 O ATOM 365 C3' DT A 12 18.915 -9.041 2.658 1.00 0.34 C ATOM 366 O3' DT A 12 18.436 -9.251 1.329 1.00 0.40 O ATOM 367 C2' DT A 12 20.417 -9.514 2.812 1.00 0.41 C ATOM 368 C1' DT A 12 20.397 -9.461 4.352 1.00 0.42 C ATOM 369 N1 DT A 12 20.556 -8.144 5.009 1.00 0.35 N ATOM 370 C2 DT A 12 21.341 -7.179 4.440 1.00 0.34 C ATOM 371 O2 DT A 12 21.991 -7.313 3.417 1.00 0.40 O ATOM 372 N3 DT A 12 21.376 -6.002 5.146 1.00 0.32 N ATOM 373 C4 DT A 12 20.745 -5.679 6.318 1.00 0.37 C ATOM 374 O4 DT A 12 20.895 -4.558 6.787 1.00 0.41 O ATOM 375 C5 DT A 12 19.973 -6.740 6.812 1.00 0.43 C ATOM 376 C7 DT A 12 19.211 -6.524 8.104 1.00 0.58 C ATOM 377 C6 DT A 12 19.887 -7.904 6.190 1.00 0.41 C ATOM 0 H5' DT A 12 16.209 -9.196 3.366 1.00 0.36 H new ATOM 0 H5'' DT A 12 16.434 -10.155 4.815 1.00 0.36 H new ATOM 0 H4' DT A 12 17.919 -10.866 3.113 1.00 0.40 H new ATOM 0 H3' DT A 12 18.771 -7.978 2.851 1.00 0.34 H new ATOM 0 H2' DT A 12 20.610 -10.508 2.407 1.00 0.41 H new ATOM 0 H2'' DT A 12 21.141 -8.838 2.357 1.00 0.41 H new ATOM 0 H1' DT A 12 21.288 -9.960 4.734 1.00 0.42 H new ATOM 0 H3 DT A 12 21.953 -5.265 4.741 1.00 0.32 H new ATOM 0 H71 DT A 12 18.306 -7.132 8.099 1.00 0.58 H new ATOM 0 H72 DT A 12 19.837 -6.812 8.948 1.00 0.58 H new ATOM 0 H73 DT A 12 18.940 -5.472 8.195 1.00 0.58 H new ATOM 0 H6 DT A 12 19.277 -8.686 6.618 1.00 0.41 H new ATOM 390 P DT A 13 18.906 -8.386 0.052 1.00 0.41 P ATOM 391 OP1 DT A 13 19.451 -7.093 0.521 1.00 0.42 O ATOM 392 OP2 DT A 13 17.805 -8.399 -0.920 1.00 0.51 O ATOM 393 O5' DT A 13 20.136 -9.249 -0.523 1.00 0.43 O ATOM 394 C5' DT A 13 20.232 -10.656 -0.729 1.00 0.36 C ATOM 395 C4' DT A 13 19.702 -11.164 -2.061 1.00 0.27 C ATOM 396 O4' DT A 13 18.295 -10.919 -2.210 1.00 0.24 O ATOM 397 C3' DT A 13 20.403 -10.550 -3.289 1.00 0.29 C ATOM 398 O3' DT A 13 20.743 -11.617 -4.196 1.00 0.35 O ATOM 399 C2' DT A 13 19.207 -9.743 -3.836 1.00 0.26 C ATOM 400 C1' DT A 13 18.011 -10.615 -3.577 1.00 0.16 C ATOM 401 N1 DT A 13 16.679 -9.969 -3.740 1.00 0.14 N ATOM 402 C2 DT A 13 16.141 -9.930 -5.009 1.00 0.21 C ATOM 403 O2 DT A 13 16.695 -10.350 -6.004 1.00 0.30 O ATOM 404 N3 DT A 13 14.906 -9.376 -5.106 1.00 0.27 N ATOM 405 C4 DT A 13 14.159 -8.861 -4.071 1.00 0.28 C ATOM 406 O4 DT A 13 13.042 -8.417 -4.323 1.00 0.37 O ATOM 407 C5 DT A 13 14.792 -8.930 -2.782 1.00 0.26 C ATOM 408 C7 DT A 13 14.089 -8.397 -1.541 1.00 0.42 C ATOM 409 C6 DT A 13 16.021 -9.478 -2.672 1.00 0.21 C ATOM 0 H5' DT A 13 19.692 -11.160 0.072 1.00 0.36 H new ATOM 0 H5'' DT A 13 21.279 -10.947 -0.640 1.00 0.36 H new ATOM 0 H4' DT A 13 19.911 -12.233 -2.032 1.00 0.27 H new ATOM 0 H3' DT A 13 21.318 -9.983 -3.117 1.00 0.29 H new ATOM 0 H2' DT A 13 19.113 -8.782 -3.331 1.00 0.26 H new ATOM 0 H2'' DT A 13 19.323 -9.535 -4.900 1.00 0.26 H new ATOM 0 H1' DT A 13 17.907 -11.445 -4.276 1.00 0.16 H new ATOM 0 H3 DT A 13 14.491 -9.337 -6.037 1.00 0.27 H new ATOM 0 H71 DT A 13 13.432 -7.573 -1.820 1.00 0.42 H new ATOM 0 H72 DT A 13 13.499 -9.193 -1.087 1.00 0.42 H new ATOM 0 H73 DT A 13 14.832 -8.042 -0.826 1.00 0.42 H new ATOM 0 H6 DT A 13 16.490 -9.524 -1.700 1.00 0.21 H new ATOM 422 P DG A 14 22.083 -11.681 -5.099 1.00 0.37 P ATOM 423 OP1 DG A 14 22.505 -13.071 -5.207 1.00 0.48 O ATOM 424 OP2 DG A 14 22.998 -10.692 -4.554 1.00 0.55 O ATOM 425 O5' DG A 14 21.621 -11.214 -6.532 1.00 0.38 O ATOM 426 C5' DG A 14 22.444 -11.220 -7.701 1.00 0.39 C ATOM 427 C4' DG A 14 22.396 -9.898 -8.482 1.00 0.35 C ATOM 428 O4' DG A 14 21.017 -9.615 -8.818 1.00 0.31 O ATOM 429 C3' DG A 14 22.868 -8.713 -7.647 1.00 0.32 C ATOM 430 O3' DG A 14 23.160 -7.618 -8.550 1.00 0.33 O ATOM 431 C2' DG A 14 21.547 -8.457 -6.985 1.00 0.28 C ATOM 432 C1' DG A 14 20.639 -8.384 -8.182 1.00 0.29 C ATOM 433 N9 DG A 14 19.222 -8.201 -7.966 1.00 0.23 N ATOM 434 C8 DG A 14 18.190 -8.595 -8.782 1.00 0.24 C ATOM 435 N7 DG A 14 17.029 -8.251 -8.338 1.00 0.24 N ATOM 436 C5 DG A 14 17.311 -7.591 -7.152 1.00 0.19 C ATOM 437 C6 DG A 14 16.424 -6.998 -6.231 1.00 0.23 C ATOM 438 O6 DG A 14 15.210 -6.948 -6.304 1.00 0.31 O ATOM 439 N1 DG A 14 17.090 -6.437 -5.166 1.00 0.22 N ATOM 440 C2 DG A 14 18.448 -6.445 -4.992 1.00 0.20 C ATOM 441 N2 DG A 14 18.916 -5.858 -3.925 1.00 0.25 N ATOM 442 N3 DG A 14 19.291 -7.001 -5.853 1.00 0.21 N ATOM 443 C4 DG A 14 18.653 -7.558 -6.910 1.00 0.19 C ATOM 0 H5' DG A 14 22.129 -12.033 -8.355 1.00 0.39 H new ATOM 0 H5'' DG A 14 23.474 -11.426 -7.411 1.00 0.39 H new ATOM 0 H4' DG A 14 23.042 -10.017 -9.352 1.00 0.35 H new ATOM 0 H3' DG A 14 23.739 -8.844 -7.005 1.00 0.32 H new ATOM 0 H2' DG A 14 21.266 -9.258 -6.302 1.00 0.28 H new ATOM 0 H2'' DG A 14 21.546 -7.532 -6.409 1.00 0.28 H new ATOM 0 H1' DG A 14 20.772 -7.475 -8.768 1.00 0.29 H new ATOM 0 H8 DG A 14 18.336 -9.139 -9.704 1.00 0.24 H new ATOM 0 H1 DG A 14 16.527 -5.979 -4.449 1.00 0.22 H new ATOM 0 H21 DG A 14 19.921 -5.839 -3.753 1.00 0.25 H new ATOM 0 H22 DG A 14 18.277 -5.418 -3.263 1.00 0.25 H new ATOM 455 P DG A 15 23.864 -6.253 -8.105 1.00 0.30 P ATOM 456 OP1 DG A 15 25.147 -6.688 -7.545 1.00 0.31 O ATOM 457 OP2 DG A 15 22.949 -5.422 -7.300 1.00 0.33 O ATOM 458 O5' DG A 15 24.153 -5.524 -9.527 1.00 0.35 O ATOM 459 C5' DG A 15 23.203 -4.951 -10.456 1.00 0.34 C ATOM 460 C4' DG A 15 21.981 -5.843 -10.724 1.00 0.34 C ATOM 461 O4' DG A 15 21.122 -5.794 -9.553 1.00 0.32 O ATOM 462 C3' DG A 15 21.074 -5.367 -11.876 1.00 0.41 C ATOM 463 O3' DG A 15 20.246 -6.457 -12.325 1.00 0.45 O ATOM 464 C2' DG A 15 20.226 -4.434 -11.075 1.00 0.35 C ATOM 465 C1' DG A 15 19.792 -5.365 -9.880 1.00 0.29 C ATOM 466 N9 DG A 15 19.105 -4.669 -8.776 1.00 0.25 N ATOM 467 C8 DG A 15 19.599 -4.202 -7.574 1.00 0.28 C ATOM 468 N7 DG A 15 18.697 -3.663 -6.816 1.00 0.27 N ATOM 469 C5 DG A 15 17.529 -3.767 -7.548 1.00 0.22 C ATOM 470 C6 DG A 15 16.220 -3.342 -7.219 1.00 0.22 C ATOM 471 O6 DG A 15 15.830 -2.769 -6.204 1.00 0.28 O ATOM 472 N1 DG A 15 15.330 -3.625 -8.219 1.00 0.21 N ATOM 473 C2 DG A 15 15.644 -4.242 -9.396 1.00 0.20 C ATOM 474 N2 DG A 15 14.662 -4.409 -10.257 1.00 0.22 N ATOM 475 N3 DG A 15 16.873 -4.649 -9.718 1.00 0.21 N ATOM 476 C4 DG A 15 17.764 -4.377 -8.746 1.00 0.20 C ATOM 0 H5' DG A 15 23.709 -4.750 -11.401 1.00 0.34 H new ATOM 0 H5'' DG A 15 22.862 -3.992 -10.067 1.00 0.34 H new ATOM 0 H4' DG A 15 22.389 -6.823 -10.971 1.00 0.34 H new ATOM 0 H3' DG A 15 21.576 -4.967 -12.757 1.00 0.41 H new ATOM 0 H2' DG A 15 20.783 -3.561 -10.735 1.00 0.35 H new ATOM 0 H2'' DG A 15 19.371 -4.066 -11.642 1.00 0.35 H new ATOM 0 HO3' DG A 15 19.670 -6.150 -13.056 1.00 0.45 H new ATOM 0 H1' DG A 15 19.051 -6.134 -10.099 1.00 0.29 H new ATOM 0 H8 DG A 15 20.639 -4.279 -7.292 1.00 0.28 H new ATOM 0 H1 DG A 15 14.357 -3.354 -8.074 1.00 0.21 H new ATOM 0 H21 DG A 15 14.841 -4.864 -11.152 1.00 0.22 H new ATOM 0 H22 DG A 15 13.723 -4.083 -10.029 1.00 0.22 H new TER 489 DG A 15