USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 251 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 38:sc= 1.38 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 5 DT C7 :methyl 150:sc= -2.47! (180deg=-2.47!) USER MOD Single : A 10 DT C7 :methyl -30:sc= 0 (180deg=-0.486) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 16 DT C7 :methyl 150:sc=-0.00647 (180deg=-0.00647) USER MOD Single : A 17 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT C7 :methyl -30:sc= -1.44 (180deg=-2.25!) USER MOD Single : A 22 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.118 -4.182 7.305 1.00 0.34 O ATOM 2 C5' DG A 1 0.907 -3.959 8.477 1.00 0.34 C ATOM 3 C4' DG A 1 1.025 -2.468 8.794 1.00 0.27 C ATOM 4 O4' DG A 1 1.722 -1.805 7.729 1.00 0.25 O ATOM 5 C3' DG A 1 -0.324 -1.763 8.957 1.00 0.23 C ATOM 6 O3' DG A 1 -0.260 -0.831 10.043 1.00 0.20 O ATOM 7 C2' DG A 1 -0.495 -1.010 7.651 1.00 0.25 C ATOM 8 C1' DG A 1 0.946 -0.680 7.315 1.00 0.25 C ATOM 9 N9 DG A 1 1.191 -0.461 5.882 1.00 0.24 N ATOM 10 C8 DG A 1 1.775 0.609 5.261 1.00 0.26 C ATOM 11 N7 DG A 1 1.829 0.502 3.963 1.00 0.26 N ATOM 12 C5 DG A 1 1.236 -0.732 3.707 1.00 0.24 C ATOM 13 C6 DG A 1 1.007 -1.398 2.472 1.00 0.25 C ATOM 14 O6 DG A 1 1.279 -1.013 1.336 1.00 0.27 O ATOM 15 N1 DG A 1 0.381 -2.623 2.664 1.00 0.24 N ATOM 16 C2 DG A 1 0.019 -3.141 3.891 1.00 0.22 C ATOM 17 N2 DG A 1 -0.580 -4.324 3.884 1.00 0.23 N ATOM 18 N3 DG A 1 0.234 -2.517 5.046 1.00 0.22 N ATOM 19 C4 DG A 1 0.844 -1.324 4.878 1.00 0.23 C ATOM 0 H5' DG A 1 1.901 -4.382 8.334 1.00 0.34 H new ATOM 0 H5'' DG A 1 0.458 -4.478 9.324 1.00 0.34 H new ATOM 0 H4' DG A 1 1.557 -2.409 9.743 1.00 0.27 H new ATOM 0 H3' DG A 1 -1.141 -2.453 9.167 1.00 0.23 H new ATOM 0 H2' DG A 1 -0.968 -1.621 6.882 1.00 0.25 H new ATOM 0 H2'' DG A 1 -1.106 -0.115 7.768 1.00 0.25 H new ATOM 0 HO5' DG A 1 0.312 -3.486 6.643 1.00 0.34 H new ATOM 0 H1' DG A 1 1.207 0.251 7.818 1.00 0.25 H new ATOM 0 H8 DG A 1 2.157 1.465 5.798 1.00 0.26 H new ATOM 0 H1 DG A 1 0.173 -3.182 1.836 1.00 0.24 H new ATOM 0 H21 DG A 1 -0.869 -4.754 4.762 1.00 0.23 H new ATOM 0 H22 DG A 1 -0.751 -4.804 3.000 1.00 0.23 H new ATOM 32 P DG A 2 -1.425 0.268 10.244 1.00 0.19 P ATOM 33 OP1 DG A 2 -1.376 0.746 11.645 1.00 0.27 O ATOM 34 OP2 DG A 2 -2.685 -0.289 9.696 1.00 0.23 O ATOM 35 O5' DG A 2 -0.950 1.480 9.284 1.00 0.15 O ATOM 36 C5' DG A 2 0.169 2.310 9.643 1.00 0.19 C ATOM 37 C4' DG A 2 0.348 3.495 8.685 1.00 0.24 C ATOM 38 O4' DG A 2 0.410 3.019 7.333 1.00 0.24 O ATOM 39 C3' DG A 2 -0.774 4.537 8.743 1.00 0.27 C ATOM 40 O3' DG A 2 -0.211 5.857 8.630 1.00 0.37 O ATOM 41 C2' DG A 2 -1.615 4.227 7.514 1.00 0.25 C ATOM 42 C1' DG A 2 -0.551 3.731 6.549 1.00 0.24 C ATOM 43 N9 DG A 2 -1.044 2.806 5.512 1.00 0.19 N ATOM 44 C8 DG A 2 -1.735 1.632 5.668 1.00 0.19 C ATOM 45 N7 DG A 2 -1.981 1.009 4.549 1.00 0.19 N ATOM 46 C5 DG A 2 -1.415 1.831 3.580 1.00 0.19 C ATOM 47 C6 DG A 2 -1.367 1.673 2.170 1.00 0.22 C ATOM 48 O6 DG A 2 -1.821 0.754 1.489 1.00 0.26 O ATOM 49 N1 DG A 2 -0.704 2.730 1.564 1.00 0.23 N ATOM 50 C2 DG A 2 -0.156 3.806 2.224 1.00 0.20 C ATOM 51 N2 DG A 2 0.439 4.722 1.466 1.00 0.22 N ATOM 52 N3 DG A 2 -0.199 3.957 3.547 1.00 0.18 N ATOM 53 C4 DG A 2 -0.842 2.935 4.159 1.00 0.18 C ATOM 0 H5' DG A 2 1.078 1.708 9.647 1.00 0.19 H new ATOM 0 H5'' DG A 2 0.030 2.684 10.657 1.00 0.19 H new ATOM 0 H4' DG A 2 1.270 3.980 9.006 1.00 0.24 H new ATOM 0 H3' DG A 2 -1.346 4.504 9.670 1.00 0.27 H new ATOM 0 H2' DG A 2 -2.374 3.471 7.714 1.00 0.25 H new ATOM 0 H2'' DG A 2 -2.134 5.108 7.137 1.00 0.25 H new ATOM 0 H1' DG A 2 -0.156 4.602 6.026 1.00 0.24 H new ATOM 0 H8 DG A 2 -2.048 1.257 6.631 1.00 0.19 H new ATOM 0 H1 DG A 2 -0.616 2.708 0.548 1.00 0.23 H new ATOM 0 H21 DG A 2 0.864 5.543 1.897 1.00 0.22 H new ATOM 0 H22 DG A 2 0.470 4.604 0.453 1.00 0.22 H new ATOM 65 P DG A 3 -1.058 7.167 9.055 1.00 0.46 P ATOM 66 OP1 DG A 3 -0.153 8.338 9.028 1.00 0.57 O ATOM 67 OP2 DG A 3 -1.811 6.847 10.289 1.00 0.52 O ATOM 68 O5' DG A 3 -2.117 7.318 7.842 1.00 0.38 O ATOM 69 C5' DG A 3 -1.804 8.103 6.681 1.00 0.39 C ATOM 70 C4' DG A 3 -2.839 7.918 5.568 1.00 0.33 C ATOM 71 O4' DG A 3 -2.842 6.564 5.143 1.00 0.29 O ATOM 72 C3' DG A 3 -4.275 8.242 5.982 1.00 0.35 C ATOM 73 O3' DG A 3 -4.627 9.579 5.565 1.00 0.36 O ATOM 74 C2' DG A 3 -5.139 7.213 5.243 1.00 0.32 C ATOM 75 C1' DG A 3 -4.123 6.268 4.593 1.00 0.27 C ATOM 76 N9 DG A 3 -4.387 4.839 4.848 1.00 0.25 N ATOM 77 C8 DG A 3 -4.600 4.208 6.046 1.00 0.28 C ATOM 78 N7 DG A 3 -4.791 2.924 5.942 1.00 0.25 N ATOM 79 C5 DG A 3 -4.698 2.683 4.575 1.00 0.20 C ATOM 80 C6 DG A 3 -4.820 1.464 3.858 1.00 0.17 C ATOM 81 O6 DG A 3 -5.023 0.336 4.302 1.00 0.17 O ATOM 82 N1 DG A 3 -4.661 1.658 2.494 1.00 0.16 N ATOM 83 C2 DG A 3 -4.416 2.872 1.892 1.00 0.16 C ATOM 84 N2 DG A 3 -4.293 2.860 0.569 1.00 0.16 N ATOM 85 N3 DG A 3 -4.299 4.017 2.562 1.00 0.18 N ATOM 86 C4 DG A 3 -4.452 3.849 3.896 1.00 0.21 C ATOM 0 H5' DG A 3 -0.818 7.824 6.309 1.00 0.39 H new ATOM 0 H5'' DG A 3 -1.754 9.156 6.958 1.00 0.39 H new ATOM 0 H4' DG A 3 -2.541 8.615 4.785 1.00 0.33 H new ATOM 0 H3' DG A 3 -4.412 8.197 7.062 1.00 0.35 H new ATOM 0 H2' DG A 3 -5.797 6.680 5.929 1.00 0.32 H new ATOM 0 H2'' DG A 3 -5.775 7.689 4.496 1.00 0.32 H new ATOM 0 H1' DG A 3 -4.185 6.426 3.516 1.00 0.27 H new ATOM 0 H8 DG A 3 -4.609 4.729 6.992 1.00 0.28 H new ATOM 0 H1 DG A 3 -4.731 0.839 1.890 1.00 0.16 H new ATOM 0 H21 DG A 3 -4.111 3.728 0.066 1.00 0.16 H new ATOM 0 H22 DG A 3 -4.381 1.982 0.057 1.00 0.16 H new ATOM 98 P DT A 4 -4.637 10.038 4.011 1.00 0.36 P ATOM 99 OP1 DT A 4 -3.508 9.369 3.326 1.00 0.45 O ATOM 100 OP2 DT A 4 -4.754 11.515 3.972 1.00 0.38 O ATOM 101 O5' DT A 4 -6.012 9.405 3.456 1.00 0.37 O ATOM 102 C5' DT A 4 -6.837 10.122 2.529 1.00 0.28 C ATOM 103 C4' DT A 4 -6.229 10.159 1.125 1.00 0.17 C ATOM 104 O4' DT A 4 -5.044 10.938 1.121 1.00 0.17 O ATOM 105 C3' DT A 4 -5.829 8.794 0.578 1.00 0.24 C ATOM 106 O3' DT A 4 -6.889 8.279 -0.233 1.00 0.22 O ATOM 107 C2' DT A 4 -4.597 9.077 -0.293 1.00 0.33 C ATOM 108 C1' DT A 4 -4.303 10.560 -0.036 1.00 0.27 C ATOM 109 N1 DT A 4 -2.879 10.869 0.226 1.00 0.32 N ATOM 110 C2 DT A 4 -2.312 11.923 -0.470 1.00 0.39 C ATOM 111 O2 DT A 4 -2.940 12.575 -1.300 1.00 0.45 O ATOM 112 N3 DT A 4 -0.990 12.198 -0.185 1.00 0.45 N ATOM 113 C4 DT A 4 -0.196 11.523 0.722 1.00 0.45 C ATOM 114 O4 DT A 4 0.969 11.864 0.904 1.00 0.52 O ATOM 115 C5 DT A 4 -0.867 10.436 1.399 1.00 0.40 C ATOM 116 C7 DT A 4 -0.103 9.601 2.425 1.00 0.47 C ATOM 117 C6 DT A 4 -2.156 10.148 1.138 1.00 0.33 C ATOM 0 H5' DT A 4 -6.983 11.141 2.887 1.00 0.28 H new ATOM 0 H5'' DT A 4 -7.821 9.656 2.485 1.00 0.28 H new ATOM 0 H4' DT A 4 -7.018 10.576 0.499 1.00 0.17 H new ATOM 0 H3' DT A 4 -5.626 8.065 1.363 1.00 0.24 H new ATOM 0 H2' DT A 4 -3.754 8.447 -0.011 1.00 0.33 H new ATOM 0 H2'' DT A 4 -4.799 8.886 -1.347 1.00 0.33 H new ATOM 0 H1' DT A 4 -4.578 11.103 -0.940 1.00 0.27 H new ATOM 0 H3 DT A 4 -0.559 12.972 -0.691 1.00 0.45 H new ATOM 0 H71 DT A 4 -0.795 9.231 3.181 1.00 0.47 H new ATOM 0 H72 DT A 4 0.373 8.757 1.925 1.00 0.47 H new ATOM 0 H73 DT A 4 0.659 10.218 2.901 1.00 0.47 H new ATOM 0 H6 DT A 4 -2.630 9.330 1.660 1.00 0.33 H new ATOM 130 P DT A 5 -7.942 7.214 0.361 1.00 0.27 P ATOM 131 OP1 DT A 5 -9.301 7.614 -0.066 1.00 0.34 O ATOM 132 OP2 DT A 5 -7.649 7.016 1.799 1.00 0.32 O ATOM 133 O5' DT A 5 -7.549 5.859 -0.422 1.00 0.40 O ATOM 134 C5' DT A 5 -7.093 5.896 -1.785 1.00 0.29 C ATOM 135 C4' DT A 5 -7.169 4.518 -2.453 1.00 0.20 C ATOM 136 O4' DT A 5 -6.731 3.518 -1.525 1.00 0.21 O ATOM 137 C3' DT A 5 -8.572 4.115 -2.905 1.00 0.21 C ATOM 138 O3' DT A 5 -8.493 3.267 -4.064 1.00 0.22 O ATOM 139 C2' DT A 5 -9.105 3.325 -1.725 1.00 0.24 C ATOM 140 C1' DT A 5 -7.837 2.667 -1.189 1.00 0.18 C ATOM 141 N1 DT A 5 -7.838 2.479 0.278 1.00 0.19 N ATOM 142 C2 DT A 5 -7.960 1.189 0.752 1.00 0.19 C ATOM 143 O2 DT A 5 -8.023 0.222 0.004 1.00 0.18 O ATOM 144 N3 DT A 5 -7.999 1.046 2.122 1.00 0.23 N ATOM 145 C4 DT A 5 -7.926 2.065 3.049 1.00 0.28 C ATOM 146 O4 DT A 5 -7.970 1.820 4.251 1.00 0.34 O ATOM 147 C5 DT A 5 -7.796 3.381 2.467 1.00 0.29 C ATOM 148 C7 DT A 5 -7.714 4.599 3.381 1.00 0.37 C ATOM 149 C6 DT A 5 -7.755 3.547 1.130 1.00 0.25 C ATOM 0 H5' DT A 5 -6.065 6.257 -1.814 1.00 0.29 H new ATOM 0 H5'' DT A 5 -7.696 6.607 -2.350 1.00 0.29 H new ATOM 0 H4' DT A 5 -6.537 4.589 -3.338 1.00 0.20 H new ATOM 0 H3' DT A 5 -9.197 4.966 -3.174 1.00 0.21 H new ATOM 0 H2' DT A 5 -9.577 3.968 -0.982 1.00 0.24 H new ATOM 0 H2'' DT A 5 -9.850 2.589 -2.029 1.00 0.24 H new ATOM 0 H1' DT A 5 -7.769 1.676 -1.638 1.00 0.18 H new ATOM 0 H3 DT A 5 -8.090 0.097 2.485 1.00 0.23 H new ATOM 0 H71 DT A 5 -7.118 5.375 2.901 1.00 0.37 H new ATOM 0 H72 DT A 5 -8.718 4.979 3.572 1.00 0.37 H new ATOM 0 H73 DT A 5 -7.248 4.315 4.324 1.00 0.37 H new ATOM 0 H6 DT A 5 -7.655 4.542 0.723 1.00 0.25 H new ATOM 162 P DA A 6 -8.925 3.808 -5.525 1.00 0.23 P ATOM 163 OP1 DA A 6 -10.097 4.699 -5.360 1.00 0.32 O ATOM 164 OP2 DA A 6 -9.003 2.651 -6.449 1.00 0.32 O ATOM 165 O5' DA A 6 -7.661 4.712 -5.951 1.00 0.21 O ATOM 166 C5' DA A 6 -6.466 4.107 -6.468 1.00 0.19 C ATOM 167 C4' DA A 6 -5.328 5.120 -6.595 1.00 0.14 C ATOM 168 O4' DA A 6 -4.984 5.617 -5.296 1.00 0.21 O ATOM 169 C3' DA A 6 -4.050 4.548 -7.216 1.00 0.17 C ATOM 170 O3' DA A 6 -3.492 5.510 -8.126 1.00 0.23 O ATOM 171 C2' DA A 6 -3.121 4.345 -6.025 1.00 0.18 C ATOM 172 C1' DA A 6 -3.579 5.447 -5.085 1.00 0.20 C ATOM 173 N9 DA A 6 -3.382 5.146 -3.652 1.00 0.22 N ATOM 174 C8 DA A 6 -3.758 4.029 -2.949 1.00 0.23 C ATOM 175 N7 DA A 6 -3.466 4.082 -1.679 1.00 0.26 N ATOM 176 C5 DA A 6 -2.853 5.322 -1.529 1.00 0.27 C ATOM 177 C6 DA A 6 -2.309 5.986 -0.417 1.00 0.31 C ATOM 178 N6 DA A 6 -2.300 5.467 0.811 1.00 0.34 N ATOM 179 N1 DA A 6 -1.779 7.204 -0.623 1.00 0.33 N ATOM 180 C2 DA A 6 -1.796 7.718 -1.849 1.00 0.32 C ATOM 181 N3 DA A 6 -2.273 7.196 -2.966 1.00 0.27 N ATOM 182 C4 DA A 6 -2.796 5.977 -2.727 1.00 0.25 C ATOM 0 H5' DA A 6 -6.673 3.668 -7.444 1.00 0.19 H new ATOM 0 H5'' DA A 6 -6.157 3.293 -5.812 1.00 0.19 H new ATOM 0 H4' DA A 6 -5.702 5.901 -7.257 1.00 0.14 H new ATOM 0 H3' DA A 6 -4.215 3.628 -7.776 1.00 0.17 H new ATOM 0 H2' DA A 6 -3.234 3.356 -5.582 1.00 0.18 H new ATOM 0 H2'' DA A 6 -2.072 4.452 -6.301 1.00 0.18 H new ATOM 0 H1' DA A 6 -2.982 6.331 -5.307 1.00 0.20 H new ATOM 0 H8 DA A 6 -4.251 3.183 -3.406 1.00 0.23 H new ATOM 0 H61 DA A 6 -1.892 5.993 1.584 1.00 0.34 H new ATOM 0 H62 DA A 6 -2.702 4.544 0.978 1.00 0.34 H new ATOM 0 H2 DA A 6 -1.358 8.701 -1.946 1.00 0.32 H new ATOM 194 P DG A 7 -2.038 5.292 -8.792 1.00 0.24 P ATOM 195 OP1 DG A 7 -2.037 5.924 -10.130 1.00 0.37 O ATOM 196 OP2 DG A 7 -1.668 3.864 -8.651 1.00 0.26 O ATOM 197 O5' DG A 7 -1.083 6.158 -7.825 1.00 0.25 O ATOM 198 C5' DG A 7 0.328 5.910 -7.766 1.00 0.24 C ATOM 199 C4' DG A 7 1.024 6.849 -6.782 1.00 0.24 C ATOM 200 O4' DG A 7 0.487 6.651 -5.464 1.00 0.23 O ATOM 201 C3' DG A 7 2.539 6.635 -6.684 1.00 0.27 C ATOM 202 O3' DG A 7 3.198 7.906 -6.586 1.00 0.33 O ATOM 203 C2' DG A 7 2.705 5.868 -5.383 1.00 0.24 C ATOM 204 C1' DG A 7 1.575 6.453 -4.560 1.00 0.23 C ATOM 205 N9 DG A 7 1.114 5.580 -3.465 1.00 0.22 N ATOM 206 C8 DG A 7 1.141 5.804 -2.114 1.00 0.21 C ATOM 207 N7 DG A 7 0.680 4.812 -1.403 1.00 0.20 N ATOM 208 C5 DG A 7 0.321 3.862 -2.353 1.00 0.19 C ATOM 209 C6 DG A 7 -0.241 2.568 -2.185 1.00 0.20 C ATOM 210 O6 DG A 7 -0.536 1.990 -1.142 1.00 0.20 O ATOM 211 N1 DG A 7 -0.447 1.944 -3.402 1.00 0.21 N ATOM 212 C2 DG A 7 -0.152 2.486 -4.631 1.00 0.22 C ATOM 213 N2 DG A 7 -0.420 1.732 -5.691 1.00 0.24 N ATOM 214 N3 DG A 7 0.373 3.697 -4.794 1.00 0.22 N ATOM 215 C4 DG A 7 0.583 4.326 -3.617 1.00 0.21 C ATOM 0 H5' DG A 7 0.762 6.035 -8.758 1.00 0.24 H new ATOM 0 H5'' DG A 7 0.504 4.876 -7.470 1.00 0.24 H new ATOM 0 H4' DG A 7 0.845 7.855 -7.162 1.00 0.24 H new ATOM 0 H3' DG A 7 2.959 6.114 -7.545 1.00 0.27 H new ATOM 0 H2' DG A 7 2.601 4.792 -5.522 1.00 0.24 H new ATOM 0 H2'' DG A 7 3.680 6.037 -4.925 1.00 0.24 H new ATOM 0 H1' DG A 7 1.933 7.368 -4.088 1.00 0.23 H new ATOM 0 H8 DG A 7 1.511 6.720 -1.677 1.00 0.21 H new ATOM 0 H1 DG A 7 -0.850 1.007 -3.387 1.00 0.21 H new ATOM 0 H21 DG A 7 -0.222 2.082 -6.629 1.00 0.24 H new ATOM 0 H22 DG A 7 -0.824 0.803 -5.567 1.00 0.24 H new ATOM 227 P DG A 8 4.796 7.999 -6.385 1.00 0.43 P ATOM 228 OP1 DG A 8 5.190 9.424 -6.454 1.00 0.57 O ATOM 229 OP2 DG A 8 5.437 7.015 -7.285 1.00 0.46 O ATOM 230 O5' DG A 8 4.996 7.498 -4.861 1.00 0.43 O ATOM 231 C5' DG A 8 4.616 8.332 -3.757 1.00 0.44 C ATOM 232 C4' DG A 8 4.847 7.652 -2.402 1.00 0.39 C ATOM 233 O4' DG A 8 4.002 6.502 -2.271 1.00 0.35 O ATOM 234 C3' DG A 8 6.291 7.173 -2.168 1.00 0.38 C ATOM 235 O3' DG A 8 6.805 7.737 -0.943 1.00 0.37 O ATOM 236 C2' DG A 8 6.175 5.653 -2.040 1.00 0.35 C ATOM 237 C1' DG A 8 4.740 5.504 -1.573 1.00 0.33 C ATOM 238 N9 DG A 8 4.126 4.192 -1.854 1.00 0.30 N ATOM 239 C8 DG A 8 3.986 3.545 -3.051 1.00 0.32 C ATOM 240 N7 DG A 8 3.379 2.394 -2.961 1.00 0.30 N ATOM 241 C5 DG A 8 3.095 2.269 -1.605 1.00 0.26 C ATOM 242 C6 DG A 8 2.442 1.220 -0.903 1.00 0.23 C ATOM 243 O6 DG A 8 1.976 0.174 -1.353 1.00 0.25 O ATOM 244 N1 DG A 8 2.362 1.491 0.456 1.00 0.21 N ATOM 245 C2 DG A 8 2.849 2.628 1.065 1.00 0.22 C ATOM 246 N2 DG A 8 2.683 2.712 2.381 1.00 0.22 N ATOM 247 N3 DG A 8 3.461 3.613 0.408 1.00 0.24 N ATOM 248 C4 DG A 8 3.549 3.366 -0.920 1.00 0.26 C ATOM 0 H5' DG A 8 3.563 8.598 -3.852 1.00 0.44 H new ATOM 0 H5'' DG A 8 5.184 9.261 -3.795 1.00 0.44 H new ATOM 0 H4' DG A 8 4.619 8.423 -1.666 1.00 0.39 H new ATOM 0 H3' DG A 8 6.966 7.472 -2.969 1.00 0.38 H new ATOM 0 H2' DG A 8 6.354 5.146 -2.988 1.00 0.35 H new ATOM 0 H2'' DG A 8 6.886 5.245 -1.321 1.00 0.35 H new ATOM 0 H1' DG A 8 4.727 5.603 -0.488 1.00 0.33 H new ATOM 0 H8 DG A 8 4.345 3.950 -3.985 1.00 0.32 H new ATOM 0 H1 DG A 8 1.908 0.796 1.049 1.00 0.21 H new ATOM 0 H21 DG A 8 3.023 3.530 2.887 1.00 0.22 H new ATOM 0 H22 DG A 8 2.216 1.958 2.885 1.00 0.22 H new ATOM 260 P DG A 9 5.987 7.646 0.453 1.00 0.37 P ATOM 261 OP1 DG A 9 5.865 6.219 0.827 1.00 0.41 O ATOM 262 OP2 DG A 9 4.770 8.481 0.327 1.00 0.41 O ATOM 263 O5' DG A 9 6.987 8.366 1.496 1.00 0.37 O ATOM 264 C5' DG A 9 8.251 7.779 1.839 1.00 0.28 C ATOM 265 C4' DG A 9 8.161 6.930 3.109 1.00 0.27 C ATOM 266 O4' DG A 9 7.259 5.841 2.896 1.00 0.27 O ATOM 267 C3' DG A 9 9.497 6.331 3.553 1.00 0.34 C ATOM 268 O3' DG A 9 9.605 6.422 4.982 1.00 0.39 O ATOM 269 C2' DG A 9 9.403 4.871 3.129 1.00 0.38 C ATOM 270 C1' DG A 9 7.911 4.618 3.237 1.00 0.30 C ATOM 271 N9 DG A 9 7.391 3.573 2.331 1.00 0.34 N ATOM 272 C8 DG A 9 7.513 3.467 0.969 1.00 0.40 C ATOM 273 N7 DG A 9 6.889 2.439 0.459 1.00 0.43 N ATOM 274 C5 DG A 9 6.315 1.818 1.563 1.00 0.38 C ATOM 275 C6 DG A 9 5.511 0.647 1.637 1.00 0.40 C ATOM 276 O6 DG A 9 5.128 -0.076 0.719 1.00 0.47 O ATOM 277 N1 DG A 9 5.142 0.369 2.945 1.00 0.34 N ATOM 278 C2 DG A 9 5.498 1.120 4.043 1.00 0.27 C ATOM 279 N2 DG A 9 5.044 0.700 5.221 1.00 0.24 N ATOM 280 N3 DG A 9 6.249 2.217 3.978 1.00 0.27 N ATOM 281 C4 DG A 9 6.620 2.506 2.711 1.00 0.32 C ATOM 0 H5' DG A 9 8.990 8.567 1.981 1.00 0.28 H new ATOM 0 H5'' DG A 9 8.600 7.160 1.013 1.00 0.28 H new ATOM 0 H4' DG A 9 7.819 7.609 3.890 1.00 0.27 H new ATOM 0 H3' DG A 9 10.362 6.837 3.124 1.00 0.34 H new ATOM 0 H2' DG A 9 9.773 4.714 2.116 1.00 0.38 H new ATOM 0 H2'' DG A 9 9.978 4.216 3.784 1.00 0.38 H new ATOM 0 H1' DG A 9 7.719 4.270 4.252 1.00 0.30 H new ATOM 0 H8 DG A 9 8.075 4.170 0.372 1.00 0.40 H new ATOM 0 H1 DG A 9 4.563 -0.455 3.106 1.00 0.34 H new ATOM 0 H21 DG A 9 5.275 1.216 6.070 1.00 0.24 H new ATOM 0 H22 DG A 9 4.465 -0.138 5.275 1.00 0.24 H new ATOM 293 P DT A 10 11.036 6.300 5.715 1.00 0.56 P ATOM 294 OP1 DT A 10 10.943 6.980 7.027 1.00 0.64 O ATOM 295 OP2 DT A 10 12.086 6.699 4.751 1.00 0.71 O ATOM 296 O5' DT A 10 11.161 4.710 5.977 1.00 0.53 O ATOM 297 C5' DT A 10 11.814 4.206 7.152 1.00 0.49 C ATOM 298 C4' DT A 10 10.813 3.747 8.217 1.00 0.29 C ATOM 299 O4' DT A 10 9.914 4.821 8.529 1.00 0.41 O ATOM 300 C3' DT A 10 9.957 2.545 7.797 1.00 0.35 C ATOM 301 O3' DT A 10 9.939 1.579 8.862 1.00 0.43 O ATOM 302 C2' DT A 10 8.560 3.129 7.605 1.00 0.34 C ATOM 303 C1' DT A 10 8.585 4.300 8.576 1.00 0.39 C ATOM 304 N1 DT A 10 7.647 5.400 8.242 1.00 0.52 N ATOM 305 C2 DT A 10 6.301 5.209 8.517 1.00 0.71 C ATOM 306 O2 DT A 10 5.874 4.177 9.027 1.00 0.78 O ATOM 307 N3 DT A 10 5.459 6.254 8.188 1.00 0.85 N ATOM 308 C4 DT A 10 5.837 7.456 7.617 1.00 0.85 C ATOM 309 O4 DT A 10 4.998 8.317 7.364 1.00 1.00 O ATOM 310 C5 DT A 10 7.255 7.569 7.366 1.00 0.69 C ATOM 311 C7 DT A 10 7.809 8.846 6.737 1.00 0.78 C ATOM 312 C6 DT A 10 8.098 6.566 7.677 1.00 0.53 C ATOM 0 H5' DT A 10 12.457 4.981 7.570 1.00 0.49 H new ATOM 0 H5'' DT A 10 12.459 3.371 6.878 1.00 0.49 H new ATOM 0 H4' DT A 10 11.418 3.446 9.073 1.00 0.29 H new ATOM 0 H3' DT A 10 10.330 2.047 6.902 1.00 0.35 H new ATOM 0 H2' DT A 10 8.388 3.451 6.578 1.00 0.34 H new ATOM 0 H2'' DT A 10 7.778 2.410 7.849 1.00 0.34 H new ATOM 0 H1' DT A 10 8.277 3.932 9.555 1.00 0.39 H new ATOM 0 H3 DT A 10 4.466 6.127 8.384 1.00 0.85 H new ATOM 0 H71 DT A 10 7.053 9.290 6.089 1.00 0.78 H new ATOM 0 H72 DT A 10 8.075 9.553 7.523 1.00 0.78 H new ATOM 0 H73 DT A 10 8.695 8.607 6.149 1.00 0.78 H new ATOM 0 H6 DT A 10 9.153 6.682 7.477 1.00 0.53 H new ATOM 325 P DT A 11 10.617 0.124 8.684 1.00 0.45 P ATOM 326 OP1 DT A 11 10.397 -0.650 9.928 1.00 0.55 O ATOM 327 OP2 DT A 11 11.991 0.306 8.162 1.00 0.46 O ATOM 328 O5' DT A 11 9.714 -0.539 7.519 1.00 0.40 O ATOM 329 C5' DT A 11 8.339 -0.874 7.764 1.00 0.40 C ATOM 330 C4' DT A 11 7.687 -1.596 6.578 1.00 0.38 C ATOM 331 O4' DT A 11 7.780 -0.787 5.401 1.00 0.41 O ATOM 332 C3' DT A 11 8.314 -2.958 6.239 1.00 0.36 C ATOM 333 O3' DT A 11 7.283 -3.961 6.198 1.00 0.34 O ATOM 334 C2' DT A 11 8.897 -2.767 4.843 1.00 0.35 C ATOM 335 C1' DT A 11 8.021 -1.657 4.302 1.00 0.38 C ATOM 336 N1 DT A 11 8.636 -0.872 3.211 1.00 0.40 N ATOM 337 C2 DT A 11 8.188 -1.108 1.924 1.00 0.46 C ATOM 338 O2 DT A 11 7.303 -1.921 1.674 1.00 0.50 O ATOM 339 N3 DT A 11 8.789 -0.370 0.929 1.00 0.48 N ATOM 340 C4 DT A 11 9.784 0.573 1.099 1.00 0.45 C ATOM 341 O4 DT A 11 10.245 1.172 0.129 1.00 0.48 O ATOM 342 C5 DT A 11 10.191 0.756 2.475 1.00 0.39 C ATOM 343 C7 DT A 11 11.291 1.760 2.809 1.00 0.38 C ATOM 344 C6 DT A 11 9.619 0.045 3.468 1.00 0.37 C ATOM 0 H5' DT A 11 7.780 0.036 7.982 1.00 0.40 H new ATOM 0 H5'' DT A 11 8.275 -1.507 8.649 1.00 0.40 H new ATOM 0 H4' DT A 11 6.656 -1.768 6.888 1.00 0.38 H new ATOM 0 H3' DT A 11 9.061 -3.274 6.967 1.00 0.36 H new ATOM 0 H2' DT A 11 9.949 -2.483 4.873 1.00 0.35 H new ATOM 0 H2'' DT A 11 8.829 -3.674 4.242 1.00 0.35 H new ATOM 0 H1' DT A 11 7.123 -2.103 3.875 1.00 0.38 H new ATOM 0 H3 DT A 11 8.469 -0.535 -0.025 1.00 0.48 H new ATOM 0 H71 DT A 11 11.123 2.165 3.807 1.00 0.38 H new ATOM 0 H72 DT A 11 12.260 1.262 2.778 1.00 0.38 H new ATOM 0 H73 DT A 11 11.276 2.571 2.081 1.00 0.38 H new ATOM 0 H6 DT A 11 9.943 0.202 4.486 1.00 0.37 H new ATOM 357 P DA A 12 7.637 -5.509 5.891 1.00 0.30 P ATOM 358 OP1 DA A 12 6.470 -6.335 6.272 1.00 0.29 O ATOM 359 OP2 DA A 12 8.968 -5.804 6.468 1.00 0.30 O ATOM 360 O5' DA A 12 7.765 -5.539 4.284 1.00 0.28 O ATOM 361 C5' DA A 12 6.595 -5.492 3.453 1.00 0.30 C ATOM 362 C4' DA A 12 6.942 -5.616 1.968 1.00 0.33 C ATOM 363 O4' DA A 12 7.906 -4.620 1.618 1.00 0.31 O ATOM 364 C3' DA A 12 7.543 -6.960 1.569 1.00 0.35 C ATOM 365 O3' DA A 12 7.216 -7.237 0.198 1.00 0.41 O ATOM 366 C2' DA A 12 9.036 -6.719 1.704 1.00 0.33 C ATOM 367 C1' DA A 12 9.141 -5.261 1.270 1.00 0.31 C ATOM 368 N9 DA A 12 10.224 -4.499 1.921 1.00 0.30 N ATOM 369 C8 DA A 12 10.765 -4.654 3.172 1.00 0.29 C ATOM 370 N7 DA A 12 11.687 -3.777 3.461 1.00 0.34 N ATOM 371 C5 DA A 12 11.761 -2.986 2.317 1.00 0.37 C ATOM 372 C6 DA A 12 12.550 -1.874 1.979 1.00 0.44 C ATOM 373 N6 DA A 12 13.450 -1.340 2.801 1.00 0.49 N ATOM 374 N1 DA A 12 12.369 -1.337 0.761 1.00 0.47 N ATOM 375 C2 DA A 12 11.465 -1.870 -0.053 1.00 0.44 C ATOM 376 N3 DA A 12 10.668 -2.905 0.149 1.00 0.39 N ATOM 377 C4 DA A 12 10.875 -3.422 1.377 1.00 0.35 C ATOM 0 H5' DA A 12 6.066 -4.555 3.625 1.00 0.30 H new ATOM 0 H5'' DA A 12 5.917 -6.297 3.735 1.00 0.30 H new ATOM 0 H4' DA A 12 5.993 -5.499 1.445 1.00 0.33 H new ATOM 0 H3' DA A 12 7.185 -7.798 2.167 1.00 0.35 H new ATOM 0 H2' DA A 12 9.387 -6.871 2.725 1.00 0.33 H new ATOM 0 H2'' DA A 12 9.619 -7.382 1.065 1.00 0.33 H new ATOM 0 H1' DA A 12 9.357 -5.269 0.202 1.00 0.31 H new ATOM 0 H8 DA A 12 10.456 -5.431 3.855 1.00 0.29 H new ATOM 0 H61 DA A 12 13.996 -0.532 2.503 1.00 0.49 H new ATOM 0 H62 DA A 12 13.594 -1.739 3.729 1.00 0.49 H new ATOM 0 H2 DA A 12 11.367 -1.390 -1.016 1.00 0.44 H new ATOM 389 P DG A 13 6.567 -8.648 -0.231 1.00 0.48 P ATOM 390 OP1 DG A 13 7.451 -9.728 0.264 1.00 0.53 O ATOM 391 OP2 DG A 13 6.212 -8.578 -1.668 1.00 0.57 O ATOM 392 O5' DG A 13 5.204 -8.675 0.624 1.00 0.42 O ATOM 393 C5' DG A 13 4.678 -9.907 1.124 1.00 0.38 C ATOM 394 C4' DG A 13 3.314 -9.711 1.777 1.00 0.33 C ATOM 395 O4' DG A 13 3.420 -8.792 2.865 1.00 0.42 O ATOM 396 C3' DG A 13 2.260 -9.131 0.851 1.00 0.27 C ATOM 397 O3' DG A 13 1.618 -10.182 0.119 1.00 0.28 O ATOM 398 C2' DG A 13 1.284 -8.501 1.823 1.00 0.34 C ATOM 399 C1' DG A 13 2.212 -8.015 2.936 1.00 0.39 C ATOM 400 N9 DG A 13 2.583 -6.587 2.827 1.00 0.38 N ATOM 401 C8 DG A 13 2.534 -5.768 1.727 1.00 0.34 C ATOM 402 N7 DG A 13 2.893 -4.538 1.966 1.00 0.37 N ATOM 403 C5 DG A 13 3.205 -4.539 3.321 1.00 0.44 C ATOM 404 C6 DG A 13 3.657 -3.476 4.151 1.00 0.51 C ATOM 405 O6 DG A 13 3.871 -2.302 3.848 1.00 0.52 O ATOM 406 N1 DG A 13 3.853 -3.900 5.454 1.00 0.58 N ATOM 407 C2 DG A 13 3.644 -5.182 5.909 1.00 0.58 C ATOM 408 N2 DG A 13 3.892 -5.394 7.196 1.00 0.67 N ATOM 409 N3 DG A 13 3.218 -6.184 5.135 1.00 0.52 N ATOM 410 C4 DG A 13 3.020 -5.790 3.857 1.00 0.45 C ATOM 0 H5' DG A 13 5.372 -10.332 1.850 1.00 0.38 H new ATOM 0 H5'' DG A 13 4.592 -10.624 0.308 1.00 0.38 H new ATOM 0 H4' DG A 13 3.008 -10.711 2.085 1.00 0.33 H new ATOM 0 H3' DG A 13 2.657 -8.434 0.113 1.00 0.27 H new ATOM 0 H2' DG A 13 0.728 -7.681 1.369 1.00 0.34 H new ATOM 0 H2'' DG A 13 0.551 -9.220 2.188 1.00 0.34 H new ATOM 0 H1' DG A 13 1.677 -8.133 3.878 1.00 0.39 H new ATOM 0 H8 DG A 13 2.226 -6.112 0.751 1.00 0.34 H new ATOM 0 H1 DG A 13 4.178 -3.208 6.130 1.00 0.58 H new ATOM 0 H21 DG A 13 3.757 -6.323 7.595 1.00 0.67 H new ATOM 0 H22 DG A 13 4.218 -4.628 7.785 1.00 0.67 H new ATOM 422 P DG A 14 1.674 -10.201 -1.489 1.00 0.24 P ATOM 423 OP1 DG A 14 3.016 -10.674 -1.898 1.00 0.27 O ATOM 424 OP2 DG A 14 1.171 -8.901 -1.985 1.00 0.26 O ATOM 425 O5' DG A 14 0.599 -11.343 -1.871 1.00 0.32 O ATOM 426 C5' DG A 14 -0.785 -11.024 -2.098 1.00 0.26 C ATOM 427 C4' DG A 14 -1.616 -11.110 -0.814 1.00 0.24 C ATOM 428 O4' DG A 14 -1.163 -10.122 0.120 1.00 0.22 O ATOM 429 C3' DG A 14 -3.112 -10.851 -1.019 1.00 0.19 C ATOM 430 O3' DG A 14 -3.867 -11.598 -0.050 1.00 0.26 O ATOM 431 C2' DG A 14 -3.233 -9.369 -0.730 1.00 0.16 C ATOM 432 C1' DG A 14 -2.260 -9.254 0.425 1.00 0.18 C ATOM 433 N9 DG A 14 -1.722 -7.904 0.650 1.00 0.15 N ATOM 434 C8 DG A 14 -1.628 -7.218 1.827 1.00 0.15 C ATOM 435 N7 DG A 14 -1.062 -6.053 1.714 1.00 0.15 N ATOM 436 C5 DG A 14 -0.758 -5.954 0.362 1.00 0.14 C ATOM 437 C6 DG A 14 -0.127 -4.903 -0.353 1.00 0.14 C ATOM 438 O6 DG A 14 0.294 -3.832 0.082 1.00 0.17 O ATOM 439 N1 DG A 14 -0.010 -5.205 -1.701 1.00 0.13 N ATOM 440 C2 DG A 14 -0.447 -6.370 -2.291 1.00 0.13 C ATOM 441 N2 DG A 14 -0.248 -6.477 -3.600 1.00 0.14 N ATOM 442 N3 DG A 14 -1.042 -7.360 -1.620 1.00 0.14 N ATOM 443 C4 DG A 14 -1.162 -7.084 -0.301 1.00 0.13 C ATOM 0 H5' DG A 14 -1.196 -11.707 -2.842 1.00 0.26 H new ATOM 0 H5'' DG A 14 -0.861 -10.018 -2.512 1.00 0.26 H new ATOM 0 H4' DG A 14 -1.484 -12.131 -0.456 1.00 0.24 H new ATOM 0 H3' DG A 14 -3.479 -11.137 -2.005 1.00 0.19 H new ATOM 0 H2' DG A 14 -2.946 -8.752 -1.582 1.00 0.16 H new ATOM 0 H2'' DG A 14 -4.246 -9.078 -0.453 1.00 0.16 H new ATOM 0 H1' DG A 14 -2.801 -9.515 1.334 1.00 0.18 H new ATOM 0 H8 DG A 14 -1.991 -7.608 2.767 1.00 0.15 H new ATOM 0 H1 DG A 14 0.434 -4.511 -2.302 1.00 0.13 H new ATOM 0 H21 DG A 14 -0.550 -7.316 -4.095 1.00 0.14 H new ATOM 0 H22 DG A 14 0.206 -5.720 -4.110 1.00 0.14 H new ATOM 455 P DG A 15 -5.444 -11.321 0.171 1.00 0.30 P ATOM 456 OP1 DG A 15 -6.010 -12.451 0.940 1.00 0.41 O ATOM 457 OP2 DG A 15 -6.038 -10.952 -1.136 1.00 0.29 O ATOM 458 O5' DG A 15 -5.465 -10.009 1.125 1.00 0.28 O ATOM 459 C5' DG A 15 -5.223 -10.120 2.539 1.00 0.29 C ATOM 460 C4' DG A 15 -5.279 -8.762 3.260 1.00 0.25 C ATOM 461 O4' DG A 15 -4.395 -7.835 2.627 1.00 0.22 O ATOM 462 C3' DG A 15 -6.668 -8.103 3.296 1.00 0.27 C ATOM 463 O3' DG A 15 -7.103 -7.981 4.666 1.00 0.32 O ATOM 464 C2' DG A 15 -6.455 -6.710 2.690 1.00 0.25 C ATOM 465 C1' DG A 15 -4.947 -6.533 2.793 1.00 0.22 C ATOM 466 N9 DG A 15 -4.360 -5.652 1.758 1.00 0.18 N ATOM 467 C8 DG A 15 -4.221 -5.887 0.415 1.00 0.16 C ATOM 468 N7 DG A 15 -3.647 -4.917 -0.240 1.00 0.15 N ATOM 469 C5 DG A 15 -3.384 -3.962 0.739 1.00 0.16 C ATOM 470 C6 DG A 15 -2.766 -2.683 0.623 1.00 0.16 C ATOM 471 O6 DG A 15 -2.313 -2.140 -0.384 1.00 0.17 O ATOM 472 N1 DG A 15 -2.699 -2.038 1.850 1.00 0.18 N ATOM 473 C2 DG A 15 -3.161 -2.553 3.041 1.00 0.20 C ATOM 474 N2 DG A 15 -3.008 -1.782 4.116 1.00 0.22 N ATOM 475 N3 DG A 15 -3.738 -3.754 3.153 1.00 0.21 N ATOM 476 C4 DG A 15 -3.817 -4.401 1.965 1.00 0.18 C ATOM 0 H5' DG A 15 -4.245 -10.573 2.701 1.00 0.29 H new ATOM 0 H5'' DG A 15 -5.962 -10.791 2.978 1.00 0.29 H new ATOM 0 H4' DG A 15 -4.992 -8.987 4.287 1.00 0.25 H new ATOM 0 H3' DG A 15 -7.421 -8.677 2.756 1.00 0.27 H new ATOM 0 H2' DG A 15 -6.800 -6.660 1.657 1.00 0.25 H new ATOM 0 H2'' DG A 15 -6.993 -5.940 3.243 1.00 0.25 H new ATOM 0 H1' DG A 15 -4.723 -6.061 3.750 1.00 0.22 H new ATOM 0 H8 DG A 15 -4.558 -6.797 -0.060 1.00 0.16 H new ATOM 0 H1 DG A 15 -2.275 -1.111 1.871 1.00 0.18 H new ATOM 0 H21 DG A 15 -3.330 -2.108 5.027 1.00 0.22 H new ATOM 0 H22 DG A 15 -2.569 -0.866 4.028 1.00 0.22 H new ATOM 488 P DT A 16 -8.547 -7.353 5.036 1.00 0.33 P ATOM 489 OP1 DT A 16 -8.570 -5.957 4.558 1.00 0.35 O ATOM 490 OP2 DT A 16 -8.836 -7.652 6.457 1.00 0.38 O ATOM 491 O5' DT A 16 -9.555 -8.217 4.124 1.00 0.31 O ATOM 492 C5' DT A 16 -10.941 -8.349 4.468 1.00 0.35 C ATOM 493 C4' DT A 16 -11.696 -7.023 4.346 1.00 0.35 C ATOM 494 O4' DT A 16 -11.305 -6.136 5.389 1.00 0.39 O ATOM 495 C3' DT A 16 -11.454 -6.275 3.027 1.00 0.31 C ATOM 496 O3' DT A 16 -12.635 -6.351 2.206 1.00 0.35 O ATOM 497 C2' DT A 16 -11.184 -4.820 3.445 1.00 0.34 C ATOM 498 C1' DT A 16 -11.569 -4.823 4.921 1.00 0.40 C ATOM 499 N1 DT A 16 -10.814 -3.871 5.764 1.00 0.46 N ATOM 500 C2 DT A 16 -11.540 -3.077 6.633 1.00 0.57 C ATOM 501 O2 DT A 16 -12.765 -3.139 6.714 1.00 0.69 O ATOM 502 N3 DT A 16 -10.809 -2.201 7.408 1.00 0.65 N ATOM 503 C4 DT A 16 -9.436 -2.049 7.389 1.00 0.65 C ATOM 504 O4 DT A 16 -8.889 -1.238 8.127 1.00 0.75 O ATOM 505 C5 DT A 16 -8.759 -2.916 6.452 1.00 0.64 C ATOM 506 C7 DT A 16 -7.238 -2.852 6.330 1.00 0.84 C ATOM 507 C6 DT A 16 -9.450 -3.781 5.685 1.00 0.55 C ATOM 0 H5' DT A 16 -11.026 -8.721 5.489 1.00 0.35 H new ATOM 0 H5'' DT A 16 -11.406 -9.091 3.819 1.00 0.35 H new ATOM 0 H4' DT A 16 -12.749 -7.300 4.399 1.00 0.35 H new ATOM 0 H3' DT A 16 -10.629 -6.693 2.450 1.00 0.31 H new ATOM 0 H2' DT A 16 -10.140 -4.543 3.299 1.00 0.34 H new ATOM 0 H2'' DT A 16 -11.785 -4.115 2.871 1.00 0.34 H new ATOM 0 H1' DT A 16 -12.612 -4.515 4.995 1.00 0.40 H new ATOM 0 H3 DT A 16 -11.331 -1.610 8.056 1.00 0.65 H new ATOM 0 H71 DT A 16 -6.855 -3.831 6.042 1.00 0.84 H new ATOM 0 H72 DT A 16 -6.964 -2.118 5.572 1.00 0.84 H new ATOM 0 H73 DT A 16 -6.808 -2.561 7.288 1.00 0.84 H new ATOM 0 H6 DT A 16 -8.917 -4.417 4.993 1.00 0.55 H new ATOM 520 P DT A 17 -13.962 -5.491 2.532 1.00 0.33 P ATOM 521 OP1 DT A 17 -14.077 -5.336 3.998 1.00 0.44 O ATOM 522 OP2 DT A 17 -15.089 -6.073 1.771 1.00 0.37 O ATOM 523 O5' DT A 17 -13.612 -4.050 1.899 1.00 0.39 O ATOM 524 C5' DT A 17 -14.039 -3.713 0.574 1.00 0.33 C ATOM 525 C4' DT A 17 -13.133 -2.665 -0.068 1.00 0.31 C ATOM 526 O4' DT A 17 -13.196 -1.448 0.669 1.00 0.37 O ATOM 527 C3' DT A 17 -11.653 -3.073 -0.130 1.00 0.35 C ATOM 528 O3' DT A 17 -11.252 -3.226 -1.500 1.00 0.34 O ATOM 529 C2' DT A 17 -10.897 -1.898 0.501 1.00 0.45 C ATOM 530 C1' DT A 17 -11.946 -0.795 0.505 1.00 0.41 C ATOM 531 N1 DT A 17 -11.800 0.195 1.596 1.00 0.47 N ATOM 532 C2 DT A 17 -11.515 1.503 1.239 1.00 0.46 C ATOM 533 O2 DT A 17 -11.371 1.849 0.070 1.00 0.56 O ATOM 534 N3 DT A 17 -11.393 2.403 2.277 1.00 0.51 N ATOM 535 C4 DT A 17 -11.526 2.118 3.621 1.00 0.61 C ATOM 536 O4 DT A 17 -11.395 3.005 4.460 1.00 0.67 O ATOM 537 C5 DT A 17 -11.822 0.729 3.904 1.00 0.74 C ATOM 538 C7 DT A 17 -11.993 0.276 5.353 1.00 1.04 C ATOM 539 C6 DT A 17 -11.948 -0.171 2.908 1.00 0.67 C ATOM 0 H5' DT A 17 -15.062 -3.337 0.607 1.00 0.33 H new ATOM 0 H5'' DT A 17 -14.049 -4.611 -0.043 1.00 0.33 H new ATOM 0 H4' DT A 17 -13.503 -2.554 -1.087 1.00 0.31 H new ATOM 0 H3' DT A 17 -11.459 -4.016 0.382 1.00 0.35 H new ATOM 0 H2' DT A 17 -10.551 -2.132 1.508 1.00 0.45 H new ATOM 0 H2'' DT A 17 -10.019 -1.621 -0.082 1.00 0.45 H new ATOM 0 H1' DT A 17 -11.845 -0.232 -0.423 1.00 0.41 H new ATOM 0 H3 DT A 17 -11.185 3.370 2.028 1.00 0.51 H new ATOM 0 H71 DT A 17 -12.689 -0.562 5.393 1.00 1.04 H new ATOM 0 H72 DT A 17 -11.028 -0.035 5.753 1.00 1.04 H new ATOM 0 H73 DT A 17 -12.384 1.101 5.948 1.00 1.04 H new ATOM 0 H6 DT A 17 -12.170 -1.200 3.149 1.00 0.67 H new ATOM 552 P DA A 18 -11.975 -4.296 -2.469 1.00 0.26 P ATOM 553 OP1 DA A 18 -13.110 -3.618 -3.138 1.00 0.26 O ATOM 554 OP2 DA A 18 -12.214 -5.538 -1.699 1.00 0.30 O ATOM 555 O5' DA A 18 -10.839 -4.593 -3.580 1.00 0.25 O ATOM 556 C5' DA A 18 -9.837 -5.603 -3.378 1.00 0.27 C ATOM 557 C4' DA A 18 -8.456 -5.131 -3.843 1.00 0.22 C ATOM 558 O4' DA A 18 -8.009 -4.066 -2.996 1.00 0.21 O ATOM 559 C3' DA A 18 -7.373 -6.210 -3.796 1.00 0.23 C ATOM 560 O3' DA A 18 -6.392 -5.963 -4.816 1.00 0.24 O ATOM 561 C2' DA A 18 -6.745 -6.001 -2.430 1.00 0.23 C ATOM 562 C1' DA A 18 -6.829 -4.486 -2.299 1.00 0.21 C ATOM 563 N9 DA A 18 -6.931 -3.999 -0.908 1.00 0.20 N ATOM 564 C8 DA A 18 -7.570 -4.569 0.163 1.00 0.22 C ATOM 565 N7 DA A 18 -7.466 -3.884 1.267 1.00 0.23 N ATOM 566 C5 DA A 18 -6.704 -2.780 0.902 1.00 0.21 C ATOM 567 C6 DA A 18 -6.238 -1.669 1.623 1.00 0.21 C ATOM 568 N6 DA A 18 -6.488 -1.489 2.919 1.00 0.23 N ATOM 569 N1 DA A 18 -5.508 -0.759 0.955 1.00 0.21 N ATOM 570 C2 DA A 18 -5.267 -0.950 -0.339 1.00 0.20 C ATOM 571 N3 DA A 18 -5.648 -1.950 -1.123 1.00 0.20 N ATOM 572 C4 DA A 18 -6.375 -2.842 -0.422 1.00 0.20 C ATOM 0 H5' DA A 18 -10.115 -6.506 -3.922 1.00 0.27 H new ATOM 0 H5'' DA A 18 -9.795 -5.868 -2.321 1.00 0.27 H new ATOM 0 H4' DA A 18 -8.589 -4.828 -4.882 1.00 0.22 H new ATOM 0 H3' DA A 18 -7.759 -7.217 -3.954 1.00 0.23 H new ATOM 0 H2' DA A 18 -7.295 -6.514 -1.641 1.00 0.23 H new ATOM 0 H2'' DA A 18 -5.717 -6.362 -2.389 1.00 0.23 H new ATOM 0 H1' DA A 18 -5.905 -4.075 -2.707 1.00 0.21 H new ATOM 0 H8 DA A 18 -8.111 -5.502 0.098 1.00 0.22 H new ATOM 0 H61 DA A 18 -6.127 -0.664 3.398 1.00 0.23 H new ATOM 0 H62 DA A 18 -7.041 -2.176 3.432 1.00 0.23 H new ATOM 0 H2 DA A 18 -4.678 -0.183 -0.819 1.00 0.20 H new ATOM 584 P DG A 19 -6.274 -6.913 -6.116 1.00 0.22 P ATOM 585 OP1 DG A 19 -7.490 -6.721 -6.941 1.00 0.31 O ATOM 586 OP2 DG A 19 -5.889 -8.270 -5.667 1.00 0.35 O ATOM 587 O5' DG A 19 -5.013 -6.272 -6.902 1.00 0.22 O ATOM 588 C5' DG A 19 -5.072 -6.002 -8.310 1.00 0.26 C ATOM 589 C4' DG A 19 -3.782 -5.356 -8.829 1.00 0.22 C ATOM 590 O4' DG A 19 -3.552 -4.113 -8.159 1.00 0.19 O ATOM 591 C3' DG A 19 -2.515 -6.206 -8.632 1.00 0.19 C ATOM 592 O3' DG A 19 -1.958 -6.539 -9.917 1.00 0.21 O ATOM 593 C2' DG A 19 -1.550 -5.291 -7.872 1.00 0.13 C ATOM 594 C1' DG A 19 -2.145 -3.918 -8.132 1.00 0.15 C ATOM 595 N9 DG A 19 -1.827 -2.900 -7.103 1.00 0.15 N ATOM 596 C8 DG A 19 -1.210 -1.685 -7.264 1.00 0.18 C ATOM 597 N7 DG A 19 -1.038 -1.023 -6.151 1.00 0.21 N ATOM 598 C5 DG A 19 -1.580 -1.859 -5.180 1.00 0.17 C ATOM 599 C6 DG A 19 -1.680 -1.677 -3.772 1.00 0.18 C ATOM 600 O6 DG A 19 -1.300 -0.727 -3.093 1.00 0.22 O ATOM 601 N1 DG A 19 -2.293 -2.758 -3.163 1.00 0.14 N ATOM 602 C2 DG A 19 -2.757 -3.875 -3.822 1.00 0.14 C ATOM 603 N2 DG A 19 -3.326 -4.809 -3.073 1.00 0.16 N ATOM 604 N3 DG A 19 -2.664 -4.052 -5.139 1.00 0.14 N ATOM 605 C4 DG A 19 -2.067 -3.008 -5.754 1.00 0.14 C ATOM 0 H5' DG A 19 -5.915 -5.343 -8.517 1.00 0.26 H new ATOM 0 H5'' DG A 19 -5.254 -6.932 -8.849 1.00 0.26 H new ATOM 0 H4' DG A 19 -3.946 -5.236 -9.900 1.00 0.22 H new ATOM 0 H3' DG A 19 -2.711 -7.137 -8.100 1.00 0.19 H new ATOM 0 H2' DG A 19 -1.517 -5.526 -6.808 1.00 0.13 H new ATOM 0 H2'' DG A 19 -0.530 -5.371 -8.248 1.00 0.13 H new ATOM 0 H1' DG A 19 -1.724 -3.530 -9.060 1.00 0.15 H new ATOM 0 H8 DG A 19 -0.894 -1.309 -8.226 1.00 0.18 H new ATOM 0 H1 DG A 19 -2.410 -2.725 -2.150 1.00 0.14 H new ATOM 0 H21 DG A 19 -3.689 -5.659 -3.505 1.00 0.16 H new ATOM 0 H22 DG A 19 -3.401 -4.678 -2.064 1.00 0.16 H new ATOM 617 P DG A 20 -0.597 -7.403 -10.044 1.00 0.23 P ATOM 618 OP1 DG A 20 -0.580 -8.050 -11.376 1.00 0.30 O ATOM 619 OP2 DG A 20 -0.459 -8.228 -8.823 1.00 0.24 O ATOM 620 O5' DG A 20 0.552 -6.266 -10.015 1.00 0.23 O ATOM 621 C5' DG A 20 0.587 -5.229 -11.006 1.00 0.19 C ATOM 622 C4' DG A 20 1.411 -4.023 -10.547 1.00 0.17 C ATOM 623 O4' DG A 20 0.980 -3.619 -9.246 1.00 0.22 O ATOM 624 C3' DG A 20 2.925 -4.275 -10.471 1.00 0.16 C ATOM 625 O3' DG A 20 3.608 -3.267 -11.241 1.00 0.17 O ATOM 626 C2' DG A 20 3.269 -4.126 -8.989 1.00 0.14 C ATOM 627 C1' DG A 20 2.124 -3.265 -8.478 1.00 0.16 C ATOM 628 N9 DG A 20 1.788 -3.472 -7.052 1.00 0.15 N ATOM 629 C8 DG A 20 1.316 -4.602 -6.433 1.00 0.15 C ATOM 630 N7 DG A 20 1.094 -4.454 -5.155 1.00 0.17 N ATOM 631 C5 DG A 20 1.445 -3.132 -4.909 1.00 0.18 C ATOM 632 C6 DG A 20 1.417 -2.391 -3.696 1.00 0.22 C ATOM 633 O6 DG A 20 1.067 -2.762 -2.579 1.00 0.26 O ATOM 634 N1 DG A 20 1.855 -1.092 -3.885 1.00 0.24 N ATOM 635 C2 DG A 20 2.267 -0.565 -5.087 1.00 0.22 C ATOM 636 N2 DG A 20 2.654 0.702 -5.072 1.00 0.25 N ATOM 637 N3 DG A 20 2.293 -1.253 -6.226 1.00 0.18 N ATOM 638 C4 DG A 20 1.871 -2.525 -6.063 1.00 0.16 C ATOM 0 H5' DG A 20 -0.430 -4.908 -11.231 1.00 0.19 H new ATOM 0 H5'' DG A 20 1.008 -5.625 -11.930 1.00 0.19 H new ATOM 0 H4' DG A 20 1.244 -3.256 -11.304 1.00 0.17 H new ATOM 0 H3' DG A 20 3.215 -5.250 -10.862 1.00 0.16 H new ATOM 0 H2' DG A 20 3.311 -5.090 -8.482 1.00 0.14 H new ATOM 0 H2'' DG A 20 4.236 -3.646 -8.842 1.00 0.14 H new ATOM 0 H1' DG A 20 2.428 -2.223 -8.574 1.00 0.16 H new ATOM 0 H8 DG A 20 1.144 -5.531 -6.956 1.00 0.15 H new ATOM 0 H1 DG A 20 1.874 -0.478 -3.071 1.00 0.24 H new ATOM 0 H21 DG A 20 2.970 1.149 -5.933 1.00 0.25 H new ATOM 0 H22 DG A 20 2.636 1.231 -4.200 1.00 0.25 H new ATOM 650 P DG A 21 5.218 -3.264 -11.392 1.00 0.18 P ATOM 651 OP1 DG A 21 5.564 -2.605 -12.672 1.00 0.19 O ATOM 652 OP2 DG A 21 5.712 -4.630 -11.108 1.00 0.21 O ATOM 653 O5' DG A 21 5.674 -2.302 -10.186 1.00 0.20 O ATOM 654 C5' DG A 21 5.314 -0.915 -10.186 1.00 0.15 C ATOM 655 C4' DG A 21 5.884 -0.186 -8.973 1.00 0.20 C ATOM 656 O4' DG A 21 5.159 -0.558 -7.794 1.00 0.17 O ATOM 657 C3' DG A 21 7.366 -0.487 -8.703 1.00 0.33 C ATOM 658 O3' DG A 21 8.072 0.742 -8.488 1.00 0.50 O ATOM 659 C2' DG A 21 7.343 -1.294 -7.410 1.00 0.28 C ATOM 660 C1' DG A 21 6.108 -0.721 -6.747 1.00 0.23 C ATOM 661 N9 DG A 21 5.508 -1.576 -5.703 1.00 0.22 N ATOM 662 C8 DG A 21 4.958 -2.825 -5.820 1.00 0.23 C ATOM 663 N7 DG A 21 4.498 -3.307 -4.698 1.00 0.35 N ATOM 664 C5 DG A 21 4.763 -2.303 -3.770 1.00 0.40 C ATOM 665 C6 DG A 21 4.488 -2.253 -2.377 1.00 0.55 C ATOM 666 O6 DG A 21 3.934 -3.097 -1.677 1.00 0.65 O ATOM 667 N1 DG A 21 4.922 -1.059 -1.817 1.00 0.61 N ATOM 668 C2 DG A 21 5.540 -0.039 -2.508 1.00 0.57 C ATOM 669 N2 DG A 21 5.890 1.032 -1.802 1.00 0.69 N ATOM 670 N3 DG A 21 5.795 -0.082 -3.815 1.00 0.45 N ATOM 671 C4 DG A 21 5.381 -1.241 -4.378 1.00 0.34 C ATOM 0 H5' DG A 21 4.228 -0.821 -10.191 1.00 0.15 H new ATOM 0 H5'' DG A 21 5.679 -0.444 -11.099 1.00 0.15 H new ATOM 0 H4' DG A 21 5.787 0.875 -9.204 1.00 0.20 H new ATOM 0 H3' DG A 21 7.853 -1.011 -9.525 1.00 0.33 H new ATOM 0 H2' DG A 21 7.256 -2.365 -7.592 1.00 0.28 H new ATOM 0 H2'' DG A 21 8.242 -1.144 -6.812 1.00 0.28 H new ATOM 0 H1' DG A 21 6.390 0.200 -6.237 1.00 0.23 H new ATOM 0 H8 DG A 21 4.909 -3.362 -6.756 1.00 0.23 H new ATOM 0 H1 DG A 21 4.772 -0.926 -0.817 1.00 0.61 H new ATOM 0 H21 DG A 21 6.351 1.817 -2.261 1.00 0.69 H new ATOM 0 H22 DG A 21 5.698 1.068 -0.801 1.00 0.69 H new ATOM 683 P DT A 22 8.362 1.772 -9.695 1.00 0.66 P ATOM 684 OP1 DT A 22 8.531 3.128 -9.119 1.00 0.78 O ATOM 685 OP2 DT A 22 7.351 1.548 -10.755 1.00 0.88 O ATOM 686 O5' DT A 22 9.794 1.280 -10.261 1.00 0.66 O ATOM 687 C5' DT A 22 10.861 0.879 -9.387 1.00 0.56 C ATOM 688 C4' DT A 22 11.112 1.891 -8.266 1.00 0.41 C ATOM 689 O4' DT A 22 10.171 1.696 -7.223 1.00 0.27 O ATOM 690 C3' DT A 22 12.479 1.770 -7.608 1.00 0.45 C ATOM 691 O3' DT A 22 13.457 2.563 -8.293 1.00 0.96 O ATOM 692 C2' DT A 22 12.245 2.278 -6.180 1.00 0.45 C ATOM 693 C1' DT A 22 10.719 2.255 -6.030 1.00 0.22 C ATOM 694 N1 DT A 22 10.234 1.449 -4.887 1.00 0.16 N ATOM 695 C2 DT A 22 10.217 2.057 -3.646 1.00 0.20 C ATOM 696 O2 DT A 22 10.603 3.210 -3.477 1.00 0.24 O ATOM 697 N3 DT A 22 9.745 1.290 -2.599 1.00 0.28 N ATOM 698 C4 DT A 22 9.295 -0.014 -2.680 1.00 0.27 C ATOM 699 O4 DT A 22 8.889 -0.598 -1.675 1.00 0.37 O ATOM 700 C5 DT A 22 9.350 -0.574 -4.015 1.00 0.19 C ATOM 701 C7 DT A 22 8.879 -2.009 -4.253 1.00 0.23 C ATOM 702 C6 DT A 22 9.809 0.157 -5.054 1.00 0.19 C ATOM 0 H5' DT A 22 11.774 0.752 -9.968 1.00 0.56 H new ATOM 0 H5'' DT A 22 10.623 -0.091 -8.950 1.00 0.56 H new ATOM 0 H4' DT A 22 11.034 2.865 -8.749 1.00 0.41 H new ATOM 0 H3' DT A 22 12.868 0.752 -7.630 1.00 0.45 H new ATOM 0 H2' DT A 22 12.729 1.637 -5.443 1.00 0.45 H new ATOM 0 H2'' DT A 22 12.646 3.282 -6.042 1.00 0.45 H new ATOM 0 HO3' DT A 22 14.325 2.468 -7.848 1.00 0.96 H new ATOM 0 H1' DT A 22 10.403 3.282 -5.850 1.00 0.22 H new ATOM 0 H3 DT A 22 9.727 1.728 -1.678 1.00 0.28 H new ATOM 0 H71 DT A 22 9.048 -2.601 -3.354 1.00 0.23 H new ATOM 0 H72 DT A 22 7.816 -2.008 -4.493 1.00 0.23 H new ATOM 0 H73 DT A 22 9.437 -2.442 -5.083 1.00 0.23 H new ATOM 0 H6 DT A 22 9.842 -0.287 -6.038 1.00 0.19 H new TER 716 DT A 22