USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 250 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 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 1 DT O5' : rot 180:sc= -0.19 USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 22 DT O3' : rot 173:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 1 2.906 -5.267 1.758 1.00 0.99 O ATOM 2 C5' DT A 1 3.288 -4.381 0.738 1.00 0.53 C ATOM 3 C4' DT A 1 3.269 -2.935 1.192 1.00 0.31 C ATOM 4 O4' DT A 1 1.991 -2.328 0.861 1.00 0.40 O ATOM 5 C3' DT A 1 3.472 -2.697 2.704 1.00 0.38 C ATOM 6 O3' DT A 1 4.585 -1.824 2.910 1.00 0.20 O ATOM 7 C2' DT A 1 2.174 -2.014 3.178 1.00 0.54 C ATOM 8 C1' DT A 1 1.627 -1.409 1.873 1.00 0.46 C ATOM 9 N1 DT A 1 0.162 -1.220 1.851 1.00 0.70 N ATOM 10 C2 DT A 1 -0.311 0.069 1.670 1.00 0.77 C ATOM 11 O2 DT A 1 0.426 1.027 1.513 1.00 0.68 O ATOM 12 N3 DT A 1 -1.681 0.193 1.674 1.00 0.03 N ATOM 13 C4 DT A 1 -2.609 -0.824 1.837 1.00 0.22 C ATOM 14 O4 DT A 1 -3.808 -0.562 1.822 1.00 0.46 O ATOM 15 C5 DT A 1 -2.048 -2.156 2.020 1.00 0.15 C ATOM 16 C7 DT A 1 -2.974 -3.313 2.213 1.00 0.41 C ATOM 17 C6 DT A 1 -0.708 -2.296 2.014 1.00 0.91 C ATOM 0 H5' DT A 1 2.618 -4.501 -0.113 1.00 0.53 H new ATOM 0 H5'' DT A 1 4.290 -4.638 0.394 1.00 0.53 H new ATOM 0 H4' DT A 1 4.118 -2.494 0.670 1.00 0.31 H new ATOM 0 H3' DT A 1 3.672 -3.621 3.246 1.00 0.38 H new ATOM 0 H2' DT A 1 1.477 -2.727 3.619 1.00 0.54 H new ATOM 0 H2'' DT A 1 2.368 -1.250 3.931 1.00 0.54 H new ATOM 0 HO5' DT A 1 2.931 -6.186 1.419 1.00 0.99 H new ATOM 0 H1' DT A 1 2.041 -0.409 1.744 1.00 0.46 H new ATOM 0 H3 DT A 1 -2.054 1.133 1.543 1.00 0.03 H new ATOM 0 H71 DT A 1 -2.514 -4.218 1.816 1.00 0.41 H new ATOM 0 H72 DT A 1 -3.175 -3.445 3.276 1.00 0.41 H new ATOM 0 H73 DT A 1 -3.910 -3.122 1.688 1.00 0.41 H new ATOM 0 H6 DT A 1 -0.291 -3.284 2.141 1.00 0.91 H new ATOM 31 P DA A 2 5.945 -2.415 3.515 1.00 0.23 P ATOM 32 OP1 DA A 2 6.043 -3.859 3.173 1.00 0.50 O ATOM 33 OP2 DA A 2 6.035 -2.039 4.948 1.00 0.47 O ATOM 34 O5' DA A 2 7.053 -1.620 2.692 1.00 0.06 O ATOM 35 C5' DA A 2 7.507 -0.327 3.087 1.00 0.92 C ATOM 36 C4' DA A 2 7.700 0.548 1.843 1.00 0.71 C ATOM 37 O4' DA A 2 6.396 0.785 1.257 1.00 0.85 O ATOM 38 C3' DA A 2 8.297 1.964 1.998 1.00 0.74 C ATOM 39 O3' DA A 2 8.864 2.394 0.757 1.00 0.72 O ATOM 40 C2' DA A 2 7.081 2.799 2.306 1.00 0.93 C ATOM 41 C1' DA A 2 5.974 2.126 1.509 1.00 0.98 C ATOM 42 N9 DA A 2 4.692 2.092 2.224 1.00 0.18 N ATOM 43 C8 DA A 2 4.250 1.153 3.122 1.00 0.26 C ATOM 44 N7 DA A 2 3.060 1.408 3.612 1.00 0.48 N ATOM 45 C5 DA A 2 2.691 2.596 2.993 1.00 0.55 C ATOM 46 C6 DA A 2 1.532 3.404 3.085 1.00 0.81 C ATOM 47 N6 DA A 2 0.495 3.124 3.876 1.00 0.00 N ATOM 48 N1 DA A 2 1.482 4.533 2.328 1.00 0.91 N ATOM 49 C2 DA A 2 2.533 4.822 1.538 1.00 0.79 C ATOM 50 N3 DA A 2 3.675 4.142 1.367 1.00 0.53 N ATOM 51 C4 DA A 2 3.692 3.026 2.132 1.00 0.40 C ATOM 0 H5' DA A 2 8.445 -0.411 3.635 1.00 0.92 H new ATOM 0 H5'' DA A 2 6.785 0.134 3.761 1.00 0.92 H new ATOM 0 H4' DA A 2 8.424 -0.029 1.268 1.00 0.71 H new ATOM 0 H3' DA A 2 9.083 2.025 2.751 1.00 0.74 H new ATOM 0 H2' DA A 2 6.859 2.806 3.373 1.00 0.93 H new ATOM 0 H2'' DA A 2 7.220 3.837 2.002 1.00 0.93 H new ATOM 0 H1' DA A 2 5.809 2.696 0.594 1.00 0.98 H new ATOM 0 H8 DA A 2 4.828 0.284 3.400 1.00 0.26 H new ATOM 0 H61 DA A 2 -0.313 3.747 3.898 1.00 0.00 H new ATOM 0 H62 DA A 2 0.510 2.287 4.459 1.00 0.00 H new ATOM 0 H2 DA A 2 2.443 5.730 0.960 1.00 0.79 H new ATOM 63 P DG A 3 10.357 2.976 0.732 1.00 0.79 P ATOM 64 OP1 DG A 3 10.594 3.762 1.970 1.00 0.99 O ATOM 65 OP2 DG A 3 10.576 3.662 -0.567 1.00 0.91 O ATOM 66 O5' DG A 3 11.238 1.644 0.786 1.00 0.67 O ATOM 67 C5' DG A 3 11.794 1.060 -0.392 1.00 0.60 C ATOM 68 C4' DG A 3 11.019 -0.176 -0.828 1.00 0.54 C ATOM 69 O4' DG A 3 9.590 -0.006 -0.584 1.00 0.48 O ATOM 70 C3' DG A 3 11.141 -0.521 -2.323 1.00 0.57 C ATOM 71 O3' DG A 3 11.386 -1.921 -2.468 1.00 0.64 O ATOM 72 C2' DG A 3 9.770 -0.151 -2.893 1.00 0.52 C ATOM 73 C1' DG A 3 8.856 -0.422 -1.720 1.00 0.45 C ATOM 74 N9 DG A 3 7.578 0.317 -1.755 1.00 0.43 N ATOM 75 C8 DG A 3 7.409 1.682 -1.801 1.00 0.47 C ATOM 76 N7 DG A 3 6.157 2.043 -1.859 1.00 0.47 N ATOM 77 C5 DG A 3 5.448 0.856 -1.841 1.00 0.41 C ATOM 78 C6 DG A 3 4.038 0.628 -1.880 1.00 0.40 C ATOM 79 O6 DG A 3 3.136 1.471 -1.943 1.00 0.43 O ATOM 80 N1 DG A 3 3.727 -0.736 -1.835 1.00 0.39 N ATOM 81 C2 DG A 3 4.670 -1.754 -1.757 1.00 0.40 C ATOM 82 N2 DG A 3 4.195 -3.010 -1.693 1.00 0.45 N ATOM 83 N3 DG A 3 5.991 -1.547 -1.726 1.00 0.40 N ATOM 84 C4 DG A 3 6.307 -0.226 -1.771 1.00 0.40 C ATOM 0 H5' DG A 3 12.834 0.791 -0.209 1.00 0.60 H new ATOM 0 H5'' DG A 3 11.792 1.794 -1.198 1.00 0.60 H new ATOM 0 H4' DG A 3 11.464 -0.978 -0.238 1.00 0.54 H new ATOM 0 H3' DG A 3 11.955 -0.000 -2.827 1.00 0.57 H new ATOM 0 H2' DG A 3 9.728 0.891 -3.210 1.00 0.52 H new ATOM 0 H2'' DG A 3 9.512 -0.759 -3.760 1.00 0.52 H new ATOM 0 H1' DG A 3 8.577 -1.476 -1.723 1.00 0.45 H new ATOM 0 H8 DG A 3 8.230 2.383 -1.790 1.00 0.47 H new ATOM 0 H1 DG A 3 2.742 -1.001 -1.861 1.00 0.39 H new ATOM 0 H21 DG A 3 4.841 -3.797 -1.634 1.00 0.45 H new ATOM 0 H22 DG A 3 3.189 -3.176 -1.703 1.00 0.45 H new ATOM 96 P DG A 4 11.931 -2.501 -3.857 1.00 0.72 P ATOM 97 OP1 DG A 4 13.251 -3.144 -3.629 1.00 0.99 O ATOM 98 OP2 DG A 4 11.853 -1.441 -4.895 1.00 0.82 O ATOM 99 O5' DG A 4 10.857 -3.629 -4.187 1.00 0.69 O ATOM 100 C5' DG A 4 10.466 -4.584 -3.206 1.00 0.75 C ATOM 101 C4' DG A 4 9.340 -5.454 -3.724 1.00 0.66 C ATOM 102 O4' DG A 4 8.080 -4.724 -3.624 1.00 0.59 O ATOM 103 C3' DG A 4 9.463 -5.862 -5.199 1.00 0.62 C ATOM 104 O3' DG A 4 8.980 -7.195 -5.381 1.00 0.72 O ATOM 105 C2' DG A 4 8.582 -4.850 -5.878 1.00 0.49 C ATOM 106 C1' DG A 4 7.446 -4.718 -4.887 1.00 0.46 C ATOM 107 N9 DG A 4 6.673 -3.481 -5.020 1.00 0.36 N ATOM 108 C8 DG A 4 7.178 -2.223 -5.190 1.00 0.34 C ATOM 109 N7 DG A 4 6.256 -1.302 -5.265 1.00 0.32 N ATOM 110 C5 DG A 4 5.068 -1.999 -5.147 1.00 0.32 C ATOM 111 C6 DG A 4 3.724 -1.530 -5.162 1.00 0.35 C ATOM 112 O6 DG A 4 3.329 -0.365 -5.278 1.00 0.41 O ATOM 113 N1 DG A 4 2.807 -2.578 -5.018 1.00 0.37 N ATOM 114 C2 DG A 4 3.155 -3.911 -4.877 1.00 0.37 C ATOM 115 N2 DG A 4 2.147 -4.784 -4.770 1.00 0.43 N ATOM 116 N3 DG A 4 4.409 -4.354 -4.858 1.00 0.38 N ATOM 117 C4 DG A 4 5.309 -3.351 -4.996 1.00 0.33 C ATOM 0 H5' DG A 4 10.148 -4.071 -2.299 1.00 0.75 H new ATOM 0 H5'' DG A 4 11.319 -5.207 -2.937 1.00 0.75 H new ATOM 0 H4' DG A 4 9.384 -6.355 -3.112 1.00 0.66 H new ATOM 0 H3' DG A 4 10.482 -5.868 -5.587 1.00 0.62 H new ATOM 0 H2' DG A 4 9.096 -3.903 -6.040 1.00 0.49 H new ATOM 0 H2'' DG A 4 8.237 -5.196 -6.852 1.00 0.49 H new ATOM 0 H1' DG A 4 6.728 -5.523 -5.045 1.00 0.46 H new ATOM 0 H8 DG A 4 8.235 -2.012 -5.256 1.00 0.34 H new ATOM 0 H1 DG A 4 1.814 -2.344 -5.017 1.00 0.37 H new ATOM 0 H21 DG A 4 2.343 -5.779 -4.664 1.00 0.43 H new ATOM 0 H22 DG A 4 1.182 -4.454 -4.794 1.00 0.43 H new ATOM 129 P DG A 5 9.018 -7.877 -6.831 1.00 0.83 P ATOM 130 OP1 DG A 5 9.585 -9.245 -6.704 1.00 0.15 O ATOM 131 OP2 DG A 5 9.669 -6.953 -7.793 1.00 0.89 O ATOM 132 O5' DG A 5 7.467 -7.991 -7.175 1.00 0.69 O ATOM 133 C5' DG A 5 6.566 -8.604 -6.257 1.00 0.68 C ATOM 134 C4' DG A 5 5.242 -8.957 -6.918 1.00 0.57 C ATOM 135 O4' DG A 5 4.355 -7.807 -6.910 1.00 0.53 O ATOM 136 C3' DG A 5 5.321 -9.382 -8.350 1.00 0.56 C ATOM 137 O3' DG A 5 4.210 -10.219 -8.698 1.00 0.63 O ATOM 138 C2' DG A 5 5.229 -8.061 -9.069 1.00 0.51 C ATOM 139 C1' DG A 5 4.120 -7.392 -8.251 1.00 0.46 C ATOM 140 N9 DG A 5 4.060 -5.915 -8.280 1.00 0.39 N ATOM 141 C8 DG A 5 5.095 -4.992 -8.257 1.00 0.40 C ATOM 142 N7 DG A 5 4.672 -3.755 -8.282 1.00 0.37 N ATOM 143 C5 DG A 5 3.294 -3.859 -8.320 1.00 0.34 C ATOM 144 C6 DG A 5 2.295 -2.842 -8.357 1.00 0.34 C ATOM 145 O6 DG A 5 2.459 -1.616 -8.352 1.00 0.36 O ATOM 146 N1 DG A 5 1.003 -3.385 -8.396 1.00 0.36 N ATOM 147 C2 DG A 5 0.724 -4.743 -8.397 1.00 0.38 C ATOM 148 N2 DG A 5 -0.565 -5.101 -8.453 1.00 0.42 N ATOM 149 N3 DG A 5 1.652 -5.690 -8.359 1.00 0.38 N ATOM 150 C4 DG A 5 2.904 -5.182 -8.323 1.00 0.36 C ATOM 0 H5' DG A 5 6.386 -7.930 -5.419 1.00 0.68 H new ATOM 0 H5'' DG A 5 7.021 -9.506 -5.849 1.00 0.68 H new ATOM 0 H4' DG A 5 4.886 -9.801 -6.328 1.00 0.57 H new ATOM 0 H3' DG A 5 6.213 -9.961 -8.588 1.00 0.56 H new ATOM 0 H2' DG A 5 6.165 -7.503 -9.038 1.00 0.51 H new ATOM 0 H2'' DG A 5 4.961 -8.176 -10.119 1.00 0.51 H new ATOM 0 H1' DG A 5 3.168 -7.696 -8.687 1.00 0.46 H new ATOM 0 H8 DG A 5 6.139 -5.266 -8.222 1.00 0.40 H new ATOM 0 H1 DG A 5 0.215 -2.737 -8.426 1.00 0.36 H new ATOM 0 H21 DG A 5 -0.820 -6.089 -8.456 1.00 0.42 H new ATOM 0 H22 DG A 5 -1.292 -4.386 -8.493 1.00 0.42 H new ATOM 162 P DT A 6 4.270 -11.797 -8.415 1.00 0.77 P ATOM 163 OP1 DT A 6 5.630 -12.157 -7.942 1.00 0.05 O ATOM 164 OP2 DT A 6 3.746 -12.512 -9.607 1.00 0.02 O ATOM 165 O5' DT A 6 3.240 -11.973 -7.207 1.00 0.98 O ATOM 166 C5' DT A 6 1.841 -12.124 -7.441 1.00 0.21 C ATOM 167 C4' DT A 6 1.049 -11.145 -6.608 1.00 0.23 C ATOM 168 O4' DT A 6 -0.213 -10.864 -7.281 1.00 0.20 O ATOM 169 C3' DT A 6 0.671 -11.634 -5.204 1.00 0.33 C ATOM 170 O3' DT A 6 0.605 -10.520 -4.303 1.00 0.61 O ATOM 171 C2' DT A 6 -0.736 -12.198 -5.458 1.00 0.26 C ATOM 172 C1' DT A 6 -1.284 -11.138 -6.401 1.00 0.23 C ATOM 173 N1 DT A 6 -2.478 -11.539 -7.179 1.00 0.24 N ATOM 174 C2 DT A 6 -3.668 -10.885 -6.909 1.00 0.50 C ATOM 175 O2 DT A 6 -3.766 -10.008 -6.068 1.00 0.76 O ATOM 176 N3 DT A 6 -4.745 -11.297 -7.664 1.00 0.60 N ATOM 177 C4 DT A 6 -4.748 -12.279 -8.644 1.00 0.55 C ATOM 178 O4 DT A 6 -5.790 -12.542 -9.239 1.00 0.78 O ATOM 179 C5 DT A 6 -3.466 -12.926 -8.881 1.00 0.37 C ATOM 180 C7 DT A 6 -3.372 -13.990 -9.930 1.00 0.57 C ATOM 181 C6 DT A 6 -2.404 -12.534 -8.147 1.00 0.18 C ATOM 0 H5' DT A 6 1.536 -13.143 -7.201 1.00 0.21 H new ATOM 0 H5'' DT A 6 1.625 -11.967 -8.498 1.00 0.21 H new ATOM 0 H4' DT A 6 1.705 -10.281 -6.498 1.00 0.23 H new ATOM 0 H3' DT A 6 1.369 -12.345 -4.762 1.00 0.33 H new ATOM 0 H2' DT A 6 -0.711 -13.188 -5.914 1.00 0.26 H new ATOM 0 H2'' DT A 6 -1.322 -12.283 -4.543 1.00 0.26 H new ATOM 0 H1' DT A 6 -1.628 -10.284 -5.818 1.00 0.23 H new ATOM 0 H3 DT A 6 -5.634 -10.831 -7.483 1.00 0.60 H new ATOM 0 H71 DT A 6 -2.369 -13.993 -10.356 1.00 0.57 H new ATOM 0 H72 DT A 6 -3.579 -14.962 -9.482 1.00 0.57 H new ATOM 0 H73 DT A 6 -4.100 -13.791 -10.717 1.00 0.57 H new ATOM 0 H6 DT A 6 -1.453 -13.015 -8.319 1.00 0.18 H new ATOM 194 P DG A 7 1.640 -10.434 -3.082 1.00 0.99 P ATOM 195 OP1 DG A 7 2.942 -9.927 -3.586 1.00 0.53 O ATOM 196 OP2 DG A 7 1.640 -11.741 -2.372 1.00 0.56 O ATOM 197 O5' DG A 7 0.983 -9.320 -2.143 1.00 0.60 O ATOM 198 C5' DG A 7 0.680 -9.579 -0.772 1.00 0.85 C ATOM 199 C4' DG A 7 -0.546 -8.801 -0.330 1.00 0.58 C ATOM 200 O4' DG A 7 -0.189 -7.407 -0.078 1.00 0.54 O ATOM 201 C3' DG A 7 -1.679 -8.748 -1.353 1.00 0.52 C ATOM 202 O3' DG A 7 -2.952 -8.770 -0.701 1.00 0.58 O ATOM 203 C2' DG A 7 -1.451 -7.427 -2.019 1.00 0.44 C ATOM 204 C1' DG A 7 -1.049 -6.575 -0.839 1.00 0.43 C ATOM 205 N9 DG A 7 -0.337 -5.331 -1.172 1.00 0.43 N ATOM 206 C8 DG A 7 1.008 -5.160 -1.385 1.00 0.47 C ATOM 207 N7 DG A 7 1.335 -3.928 -1.649 1.00 0.49 N ATOM 208 C5 DG A 7 0.146 -3.238 -1.604 1.00 0.46 C ATOM 209 C6 DG A 7 -0.112 -1.857 -1.800 1.00 0.48 C ATOM 210 O6 DG A 7 0.713 -0.961 -2.037 1.00 0.51 O ATOM 211 N1 DG A 7 -1.476 -1.562 -1.664 1.00 0.49 N ATOM 212 C2 DG A 7 -2.457 -2.497 -1.377 1.00 0.47 C ATOM 213 N2 DG A 7 -3.712 -2.040 -1.278 1.00 0.51 N ATOM 214 N3 DG A 7 -2.218 -3.791 -1.191 1.00 0.44 N ATOM 215 C4 DG A 7 -0.904 -4.091 -1.317 1.00 0.43 C ATOM 0 H5' DG A 7 1.532 -9.306 -0.150 1.00 0.85 H new ATOM 0 H5'' DG A 7 0.509 -10.646 -0.629 1.00 0.85 H new ATOM 0 H4' DG A 7 -0.894 -9.335 0.554 1.00 0.58 H new ATOM 0 H3' DG A 7 -1.683 -9.592 -2.043 1.00 0.52 H new ATOM 0 H2' DG A 7 -0.669 -7.477 -2.777 1.00 0.44 H new ATOM 0 H2'' DG A 7 -2.349 -7.053 -2.511 1.00 0.44 H new ATOM 0 H1' DG A 7 -1.950 -6.241 -0.324 1.00 0.43 H new ATOM 0 H8 DG A 7 1.724 -5.967 -1.338 1.00 0.47 H new ATOM 0 H1 DG A 7 -1.766 -0.592 -1.785 1.00 0.49 H new ATOM 0 H21 DG A 7 -4.474 -2.684 -1.068 1.00 0.51 H new ATOM 0 H22 DG A 7 -3.905 -1.048 -1.412 1.00 0.51 H new ATOM 227 P DG A 8 -4.248 -9.263 -1.507 1.00 0.79 P ATOM 228 OP1 DG A 8 -5.421 -9.224 -0.596 1.00 0.08 O ATOM 229 OP2 DG A 8 -3.937 -10.555 -2.167 1.00 0.15 O ATOM 230 O5' DG A 8 -4.424 -8.134 -2.625 1.00 0.57 O ATOM 231 C5' DG A 8 -5.577 -7.299 -2.645 1.00 0.55 C ATOM 232 C4' DG A 8 -5.531 -6.313 -3.798 1.00 0.48 C ATOM 233 O4' DG A 8 -4.400 -5.447 -3.670 1.00 0.44 O ATOM 234 C3' DG A 8 -5.393 -6.914 -5.204 1.00 0.45 C ATOM 235 O3' DG A 8 -6.659 -6.870 -5.872 1.00 0.65 O ATOM 236 C2' DG A 8 -4.374 -6.001 -5.906 1.00 0.43 C ATOM 237 C1' DG A 8 -4.205 -4.861 -4.919 1.00 0.42 C ATOM 238 N9 DG A 8 -2.900 -4.177 -4.925 1.00 0.38 N ATOM 239 C8 DG A 8 -1.642 -4.736 -4.839 1.00 0.38 C ATOM 240 N7 DG A 8 -0.688 -3.848 -4.853 1.00 0.38 N ATOM 241 C5 DG A 8 -1.344 -2.635 -4.958 1.00 0.37 C ATOM 242 C6 DG A 8 -0.824 -1.309 -5.017 1.00 0.38 C ATOM 243 O6 DG A 8 0.358 -0.951 -4.992 1.00 0.40 O ATOM 244 N1 DG A 8 -1.843 -0.356 -5.119 1.00 0.39 N ATOM 245 C2 DG A 8 -3.192 -0.653 -5.166 1.00 0.42 C ATOM 246 N2 DG A 8 -4.041 0.377 -5.265 1.00 0.47 N ATOM 247 N3 DG A 8 -3.682 -1.888 -5.112 1.00 0.42 N ATOM 248 C4 DG A 8 -2.709 -2.823 -5.008 1.00 0.38 C ATOM 0 H5' DG A 8 -5.650 -6.755 -1.703 1.00 0.55 H new ATOM 0 H5'' DG A 8 -6.472 -7.915 -2.728 1.00 0.55 H new ATOM 0 H4' DG A 8 -6.499 -5.817 -3.722 1.00 0.48 H new ATOM 0 H3' DG A 8 -5.074 -7.956 -5.197 1.00 0.45 H new ATOM 0 H2' DG A 8 -3.432 -6.516 -6.094 1.00 0.43 H new ATOM 0 H2'' DG A 8 -4.743 -5.650 -6.870 1.00 0.43 H new ATOM 0 H1' DG A 8 -4.910 -4.074 -5.188 1.00 0.42 H new ATOM 0 H8 DG A 8 -1.466 -5.799 -4.767 1.00 0.38 H new ATOM 0 H1 DG A 8 -1.572 0.626 -5.162 1.00 0.39 H new ATOM 0 H21 DG A 8 -5.046 0.208 -5.303 1.00 0.47 H new ATOM 0 H22 DG A 8 -3.683 1.331 -5.302 1.00 0.47 H new ATOM 260 P DG A 9 -6.844 -7.577 -7.300 1.00 0.72 P ATOM 261 OP1 DG A 9 -7.990 -8.518 -7.226 1.00 0.99 O ATOM 262 OP2 DG A 9 -5.538 -8.122 -7.749 1.00 0.84 O ATOM 263 O5' DG A 9 -7.244 -6.348 -8.237 1.00 0.66 O ATOM 264 C5' DG A 9 -8.320 -5.478 -7.897 1.00 0.65 C ATOM 265 C4' DG A 9 -8.182 -4.140 -8.593 1.00 0.56 C ATOM 266 O4' DG A 9 -6.934 -3.522 -8.201 1.00 0.53 O ATOM 267 C3' DG A 9 -8.157 -4.203 -10.133 1.00 0.58 C ATOM 268 O3' DG A 9 -9.182 -3.361 -10.676 1.00 0.70 O ATOM 269 C2' DG A 9 -6.774 -3.672 -10.517 1.00 0.54 C ATOM 270 C1' DG A 9 -6.389 -2.841 -9.304 1.00 0.50 C ATOM 271 N9 DG A 9 -4.942 -2.678 -9.083 1.00 0.46 N ATOM 272 C8 DG A 9 -3.999 -3.673 -8.931 1.00 0.44 C ATOM 273 N7 DG A 9 -2.796 -3.210 -8.749 1.00 0.43 N ATOM 274 C5 DG A 9 -2.939 -1.837 -8.781 1.00 0.43 C ATOM 275 C6 DG A 9 -1.961 -0.812 -8.640 1.00 0.43 C ATOM 276 O6 DG A 9 -0.743 -0.945 -8.461 1.00 0.43 O ATOM 277 N1 DG A 9 -2.529 0.464 -8.733 1.00 0.46 N ATOM 278 C2 DG A 9 -3.874 0.712 -8.938 1.00 0.49 C ATOM 279 N2 DG A 9 -4.249 2.000 -8.995 1.00 0.53 N ATOM 280 N3 DG A 9 -4.791 -0.241 -9.074 1.00 0.50 N ATOM 281 C4 DG A 9 -4.259 -1.486 -8.986 1.00 0.46 C ATOM 0 H5' DG A 9 -8.344 -5.329 -6.818 1.00 0.65 H new ATOM 0 H5'' DG A 9 -9.267 -5.940 -8.176 1.00 0.65 H new ATOM 0 H4' DG A 9 -9.068 -3.581 -8.291 1.00 0.56 H new ATOM 0 H3' DG A 9 -8.335 -5.209 -10.514 1.00 0.58 H new ATOM 0 H2' DG A 9 -6.065 -4.480 -10.696 1.00 0.54 H new ATOM 0 H2'' DG A 9 -6.809 -3.071 -11.426 1.00 0.54 H new ATOM 0 H1' DG A 9 -6.765 -1.829 -9.454 1.00 0.50 H new ATOM 0 H8 DG A 9 -4.234 -4.727 -8.960 1.00 0.44 H new ATOM 0 H1 DG A 9 -1.907 1.267 -8.643 1.00 0.46 H new ATOM 0 H21 DG A 9 -5.229 2.240 -9.144 1.00 0.53 H new ATOM 0 H22 DG A 9 -3.554 2.739 -8.889 1.00 0.53 H new ATOM 293 P DT A 10 -10.545 -4.006 -11.227 1.00 0.88 P ATOM 294 OP1 DT A 10 -10.428 -5.487 -11.235 1.00 0.09 O ATOM 295 OP2 DT A 10 -10.897 -3.341 -12.508 1.00 0.22 O ATOM 296 O5' DT A 10 -11.607 -3.574 -10.116 1.00 0.87 O ATOM 297 C5' DT A 10 -11.870 -4.380 -8.969 1.00 0.87 C ATOM 298 C4' DT A 10 -13.346 -4.377 -8.649 1.00 0.72 C ATOM 299 O4' DT A 10 -14.029 -5.278 -9.552 1.00 0.75 O ATOM 300 C3' DT A 10 -13.696 -4.870 -7.249 1.00 0.62 C ATOM 301 O3' DT A 10 -13.760 -3.765 -6.348 1.00 0.80 O ATOM 302 C2' DT A 10 -15.076 -5.492 -7.429 1.00 0.63 C ATOM 303 C1' DT A 10 -15.048 -6.004 -8.868 1.00 0.58 C ATOM 304 N1 DT A 10 -14.761 -7.449 -9.015 1.00 0.87 N ATOM 305 C2 DT A 10 -15.527 -8.167 -9.922 1.00 0.15 C ATOM 306 O2 DT A 10 -16.418 -7.663 -10.584 1.00 0.12 O ATOM 307 N3 DT A 10 -15.207 -9.505 -10.025 1.00 0.56 N ATOM 308 C4 DT A 10 -14.221 -10.181 -9.324 1.00 0.72 C ATOM 309 O4 DT A 10 -14.047 -11.379 -9.522 1.00 0.12 O ATOM 310 C5 DT A 10 -13.456 -9.373 -8.387 1.00 0.43 C ATOM 311 C7 DT A 10 -12.375 -10.031 -7.584 1.00 0.67 C ATOM 312 C6 DT A 10 -13.754 -8.062 -8.274 1.00 0.04 C ATOM 0 H5' DT A 10 -11.306 -4.004 -8.116 1.00 0.87 H new ATOM 0 H5'' DT A 10 -11.533 -5.401 -9.149 1.00 0.87 H new ATOM 0 H4' DT A 10 -13.649 -3.334 -8.739 1.00 0.72 H new ATOM 0 H3' DT A 10 -12.966 -5.568 -6.839 1.00 0.62 H new ATOM 0 H2' DT A 10 -15.248 -6.300 -6.718 1.00 0.63 H new ATOM 0 H2'' DT A 10 -15.870 -4.760 -7.278 1.00 0.63 H new ATOM 0 H1' DT A 10 -16.048 -5.856 -9.276 1.00 0.58 H new ATOM 0 H3 DT A 10 -15.754 -10.055 -10.687 1.00 0.56 H new ATOM 0 H71 DT A 10 -11.591 -9.306 -7.367 1.00 0.67 H new ATOM 0 H72 DT A 10 -12.793 -10.405 -6.649 1.00 0.67 H new ATOM 0 H73 DT A 10 -11.954 -10.861 -8.151 1.00 0.67 H new ATOM 0 H6 DT A 10 -13.187 -7.462 -7.578 1.00 0.04 H new ATOM 325 P DT A 11 -13.744 -4.027 -4.767 1.00 0.85 P ATOM 326 OP1 DT A 11 -13.730 -5.492 -4.512 1.00 0.85 O ATOM 327 OP2 DT A 11 -14.833 -3.232 -4.147 1.00 0.09 O ATOM 328 O5' DT A 11 -12.341 -3.409 -4.328 1.00 0.84 O ATOM 329 C5' DT A 11 -11.120 -3.860 -4.904 1.00 0.70 C ATOM 330 C4' DT A 11 -9.950 -3.067 -4.381 1.00 0.73 C ATOM 331 O4' DT A 11 -9.160 -2.642 -5.511 1.00 0.64 O ATOM 332 C3' DT A 11 -10.311 -1.800 -3.611 1.00 0.83 C ATOM 333 O3' DT A 11 -9.435 -1.644 -2.491 1.00 0.94 O ATOM 334 C2' DT A 11 -10.075 -0.689 -4.616 1.00 0.72 C ATOM 335 C1' DT A 11 -8.933 -1.257 -5.434 1.00 0.59 C ATOM 336 N1 DT A 11 -8.815 -0.712 -6.790 1.00 0.50 N ATOM 337 C2 DT A 11 -7.586 -0.225 -7.182 1.00 0.44 C ATOM 338 O2 DT A 11 -6.615 -0.218 -6.447 1.00 0.45 O ATOM 339 N3 DT A 11 -7.542 0.265 -8.467 1.00 0.47 N ATOM 340 C4 DT A 11 -8.594 0.325 -9.371 1.00 0.57 C ATOM 341 O4 DT A 11 -8.416 0.799 -10.490 1.00 0.68 O ATOM 342 C5 DT A 11 -9.857 -0.204 -8.878 1.00 0.61 C ATOM 343 C7 DT A 11 -11.066 -0.187 -9.747 1.00 0.79 C ATOM 344 C6 DT A 11 -9.908 -0.691 -7.640 1.00 0.57 C ATOM 0 H5' DT A 11 -11.170 -3.768 -5.989 1.00 0.70 H new ATOM 0 H5'' DT A 11 -10.977 -4.917 -4.680 1.00 0.70 H new ATOM 0 H4' DT A 11 -9.434 -3.731 -3.687 1.00 0.73 H new ATOM 0 H3' DT A 11 -11.329 -1.811 -3.222 1.00 0.83 H new ATOM 0 H2' DT A 11 -10.957 -0.493 -5.225 1.00 0.72 H new ATOM 0 H2'' DT A 11 -9.806 0.250 -4.133 1.00 0.72 H new ATOM 0 H1' DT A 11 -7.998 -0.990 -4.941 1.00 0.59 H new ATOM 0 H3 DT A 11 -6.642 0.621 -8.789 1.00 0.47 H new ATOM 0 H71 DT A 11 -11.711 -1.027 -9.490 1.00 0.79 H new ATOM 0 H72 DT A 11 -11.609 0.746 -9.597 1.00 0.79 H new ATOM 0 H73 DT A 11 -10.765 -0.267 -10.791 1.00 0.79 H new ATOM 0 H6 DT A 11 -10.846 -1.088 -7.282 1.00 0.57 H new ATOM 357 P DG A 12 -9.906 -0.797 -1.215 1.00 0.08 P ATOM 358 OP1 DG A 12 -9.110 -1.224 -0.036 1.00 0.32 O ATOM 359 OP2 DG A 12 -11.384 -0.882 -1.106 1.00 0.34 O ATOM 360 O5' DG A 12 -9.499 0.704 -1.592 1.00 0.85 O ATOM 361 C5' DG A 12 -9.969 1.784 -0.792 1.00 0.84 C ATOM 362 C4' DG A 12 -9.257 3.093 -1.091 1.00 0.76 C ATOM 363 O4' DG A 12 -7.875 3.008 -0.672 1.00 0.66 O ATOM 364 C3' DG A 12 -9.235 3.538 -2.541 1.00 0.74 C ATOM 365 O3' DG A 12 -9.470 4.945 -2.632 1.00 0.79 O ATOM 366 C2' DG A 12 -7.850 3.182 -3.008 1.00 0.62 C ATOM 367 C1' DG A 12 -7.030 3.392 -1.739 1.00 0.59 C ATOM 368 N9 DG A 12 -5.805 2.596 -1.666 1.00 0.53 N ATOM 369 C8 DG A 12 -5.699 1.237 -1.501 1.00 0.53 C ATOM 370 N7 DG A 12 -4.458 0.824 -1.485 1.00 0.51 N ATOM 371 C5 DG A 12 -3.707 1.978 -1.643 1.00 0.47 C ATOM 372 C6 DG A 12 -2.293 2.170 -1.699 1.00 0.46 C ATOM 373 O6 DG A 12 -1.403 1.320 -1.628 1.00 0.48 O ATOM 374 N1 DG A 12 -1.958 3.519 -1.863 1.00 0.45 N ATOM 375 C2 DG A 12 -2.878 4.547 -1.963 1.00 0.48 C ATOM 376 N2 DG A 12 -2.398 5.788 -2.105 1.00 0.50 N ATOM 377 N3 DG A 12 -4.191 4.373 -1.916 1.00 0.51 N ATOM 378 C4 DG A 12 -4.532 3.079 -1.755 1.00 0.49 C ATOM 0 H5' DG A 12 -9.835 1.535 0.261 1.00 0.84 H new ATOM 0 H5'' DG A 12 -11.039 1.912 -0.956 1.00 0.84 H new ATOM 0 H4' DG A 12 -9.845 3.828 -0.541 1.00 0.76 H new ATOM 0 H3' DG A 12 -10.008 3.065 -3.147 1.00 0.74 H new ATOM 0 H2' DG A 12 -7.791 2.155 -3.368 1.00 0.62 H new ATOM 0 H2'' DG A 12 -7.515 3.825 -3.822 1.00 0.62 H new ATOM 0 H1' DG A 12 -6.705 4.432 -1.709 1.00 0.59 H new ATOM 0 H8 DG A 12 -6.549 0.579 -1.396 1.00 0.53 H new ATOM 0 H1 DG A 12 -0.968 3.760 -1.912 1.00 0.45 H new ATOM 0 H21 DG A 12 -3.040 6.577 -2.183 1.00 0.50 H new ATOM 0 H22 DG A 12 -1.391 5.945 -2.136 1.00 0.50 H new ATOM 390 P DG A 13 -9.921 5.584 -4.031 1.00 0.83 P ATOM 391 OP1 DG A 13 -10.876 6.692 -3.769 1.00 0.03 O ATOM 392 OP2 DG A 13 -10.362 4.496 -4.941 1.00 0.96 O ATOM 393 O5' DG A 13 -8.555 6.195 -4.575 1.00 0.71 O ATOM 394 C5' DG A 13 -7.950 7.317 -3.945 1.00 0.77 C ATOM 395 C4' DG A 13 -6.720 7.759 -4.702 1.00 0.65 C ATOM 396 O4' DG A 13 -5.613 6.910 -4.345 1.00 0.57 O ATOM 397 C3' DG A 13 -6.837 7.675 -6.234 1.00 0.62 C ATOM 398 O3' DG A 13 -6.766 8.984 -6.803 1.00 0.83 O ATOM 399 C2' DG A 13 -5.643 6.823 -6.675 1.00 0.56 C ATOM 400 C1' DG A 13 -4.747 6.799 -5.445 1.00 0.51 C ATOM 401 N9 DG A 13 -4.009 5.547 -5.328 1.00 0.45 N ATOM 402 C8 DG A 13 -4.555 4.296 -5.227 1.00 0.47 C ATOM 403 N7 DG A 13 -3.655 3.348 -5.170 1.00 0.44 N ATOM 404 C5 DG A 13 -2.443 4.022 -5.234 1.00 0.40 C ATOM 405 C6 DG A 13 -1.106 3.523 -5.218 1.00 0.38 C ATOM 406 O6 DG A 13 -0.735 2.350 -5.146 1.00 0.40 O ATOM 407 N1 DG A 13 -0.163 4.554 -5.305 1.00 0.36 N ATOM 408 C2 DG A 13 -0.479 5.899 -5.394 1.00 0.37 C ATOM 409 N2 DG A 13 0.547 6.756 -5.464 1.00 0.38 N ATOM 410 N3 DG A 13 -1.723 6.371 -5.411 1.00 0.39 N ATOM 411 C4 DG A 13 -2.648 5.385 -5.330 1.00 0.41 C ATOM 0 H5' DG A 13 -7.680 7.062 -2.920 1.00 0.77 H new ATOM 0 H5'' DG A 13 -8.664 8.139 -3.891 1.00 0.77 H new ATOM 0 H4' DG A 13 -6.584 8.805 -4.427 1.00 0.65 H new ATOM 0 H3' DG A 13 -7.783 7.242 -6.558 1.00 0.62 H new ATOM 0 H2' DG A 13 -5.952 5.819 -6.965 1.00 0.56 H new ATOM 0 H2'' DG A 13 -5.134 7.260 -7.534 1.00 0.56 H new ATOM 0 H1' DG A 13 -4.012 7.602 -5.503 1.00 0.51 H new ATOM 0 H8 DG A 13 -5.619 4.111 -5.197 1.00 0.47 H new ATOM 0 H1 DG A 13 0.824 4.297 -5.303 1.00 0.36 H new ATOM 0 H21 DG A 13 0.371 7.758 -5.531 1.00 0.38 H new ATOM 0 H22 DG A 13 1.505 6.407 -5.450 1.00 0.38 H new ATOM 423 P DG A 14 -6.902 9.167 -8.390 1.00 0.93 P ATOM 424 OP1 DG A 14 -7.558 10.469 -8.672 1.00 0.16 O ATOM 425 OP2 DG A 14 -7.519 7.946 -8.969 1.00 0.94 O ATOM 426 O5' DG A 14 -5.376 9.247 -8.846 1.00 0.84 O ATOM 427 C5' DG A 14 -4.483 10.168 -8.230 1.00 0.88 C ATOM 428 C4' DG A 14 -3.045 9.853 -8.566 1.00 0.69 C ATOM 429 O4' DG A 14 -2.717 8.500 -8.159 1.00 0.59 O ATOM 430 C3' DG A 14 -2.707 9.931 -10.068 1.00 0.69 C ATOM 431 O3' DG A 14 -1.573 10.785 -10.267 1.00 0.73 O ATOM 432 C2' DG A 14 -2.317 8.467 -10.427 1.00 0.59 C ATOM 433 C1' DG A 14 -1.815 7.971 -9.096 1.00 0.47 C ATOM 434 N9 DG A 14 -1.760 6.512 -8.937 1.00 0.44 N ATOM 435 C8 DG A 14 -2.810 5.624 -8.859 1.00 0.52 C ATOM 436 N7 DG A 14 -2.418 4.381 -8.729 1.00 0.50 N ATOM 437 C5 DG A 14 -1.031 4.456 -8.718 1.00 0.40 C ATOM 438 C6 DG A 14 -0.047 3.428 -8.601 1.00 0.39 C ATOM 439 O6 DG A 14 -0.223 2.214 -8.490 1.00 0.45 O ATOM 440 N1 DG A 14 1.254 3.945 -8.630 1.00 0.38 N ATOM 441 C2 DG A 14 1.564 5.286 -8.758 1.00 0.36 C ATOM 442 N2 DG A 14 2.866 5.612 -8.759 1.00 0.42 N ATOM 443 N3 DG A 14 0.653 6.248 -8.873 1.00 0.35 N ATOM 444 C4 DG A 14 -0.614 5.766 -8.844 1.00 0.37 C ATOM 0 H5' DG A 14 -4.619 10.141 -7.149 1.00 0.88 H new ATOM 0 H5'' DG A 14 -4.721 11.181 -8.556 1.00 0.88 H new ATOM 0 H4' DG A 14 -2.473 10.613 -8.034 1.00 0.69 H new ATOM 0 H3' DG A 14 -3.526 10.324 -10.670 1.00 0.69 H new ATOM 0 H2' DG A 14 -3.168 7.890 -10.788 1.00 0.59 H new ATOM 0 H2'' DG A 14 -1.550 8.422 -11.200 1.00 0.59 H new ATOM 0 H1' DG A 14 -0.779 8.288 -8.977 1.00 0.47 H new ATOM 0 H8 DG A 14 -3.847 5.921 -8.901 1.00 0.52 H new ATOM 0 H1 DG A 14 2.028 3.285 -8.551 1.00 0.38 H new ATOM 0 H21 DG A 14 3.147 6.588 -8.851 1.00 0.42 H new ATOM 0 H22 DG A 14 3.574 4.884 -8.668 1.00 0.42 H new ATOM 456 P DT A 15 -1.739 12.376 -10.144 1.00 0.86 P ATOM 457 OP1 DT A 15 -3.122 12.754 -10.533 1.00 0.03 O ATOM 458 OP2 DT A 15 -0.618 13.026 -10.867 1.00 0.89 O ATOM 459 O5' DT A 15 -1.552 12.614 -8.576 1.00 0.34 O ATOM 460 C5' DT A 15 -1.764 13.892 -7.978 1.00 0.40 C ATOM 461 C4' DT A 15 -0.553 14.301 -7.167 1.00 0.18 C ATOM 462 O4' DT A 15 0.039 15.474 -7.772 1.00 0.24 O ATOM 463 C3' DT A 15 -0.837 14.672 -5.709 1.00 0.01 C ATOM 464 O3' DT A 15 0.212 14.180 -4.865 1.00 0.12 O ATOM 465 C2' DT A 15 -0.856 16.196 -5.709 1.00 0.09 C ATOM 466 C1' DT A 15 0.058 16.562 -6.856 1.00 0.12 C ATOM 467 N1 DT A 15 -0.325 17.800 -7.573 1.00 0.15 N ATOM 468 C2 DT A 15 0.471 18.918 -7.395 1.00 0.47 C ATOM 469 O2 DT A 15 1.461 18.918 -6.687 1.00 0.86 O ATOM 470 N3 DT A 15 0.062 20.044 -8.082 1.00 0.54 N ATOM 471 C4 DT A 15 -1.044 20.159 -8.912 1.00 0.47 C ATOM 472 O4 DT A 15 -1.284 21.232 -9.460 1.00 0.69 O ATOM 473 C5 DT A 15 -1.840 18.945 -9.056 1.00 0.47 C ATOM 474 C7 DT A 15 -3.062 18.970 -9.926 1.00 0.98 C ATOM 475 C6 DT A 15 -1.449 17.836 -8.390 1.00 0.26 C ATOM 0 H5' DT A 15 -2.645 13.859 -7.337 1.00 0.40 H new ATOM 0 H5'' DT A 15 -1.960 14.635 -8.751 1.00 0.40 H new ATOM 0 H4' DT A 15 0.093 13.423 -7.165 1.00 0.18 H new ATOM 0 H3' DT A 15 -1.768 14.246 -5.335 1.00 0.01 H new ATOM 0 H2' DT A 15 -1.863 16.585 -5.859 1.00 0.09 H new ATOM 0 H2'' DT A 15 -0.495 16.602 -4.764 1.00 0.09 H new ATOM 0 H1' DT A 15 1.047 16.755 -6.439 1.00 0.12 H new ATOM 0 H3 DT A 15 0.634 20.881 -7.967 1.00 0.54 H new ATOM 0 H71 DT A 15 -3.225 17.981 -10.354 1.00 0.98 H new ATOM 0 H72 DT A 15 -3.928 19.254 -9.328 1.00 0.98 H new ATOM 0 H73 DT A 15 -2.922 19.694 -10.729 1.00 0.98 H new ATOM 0 H6 DT A 15 -2.037 16.936 -8.497 1.00 0.26 H new ATOM 488 P DG A 16 -0.150 13.651 -3.396 1.00 0.12 P ATOM 489 OP1 DG A 16 -0.735 12.289 -3.502 1.00 0.31 O ATOM 490 OP2 DG A 16 -0.952 14.690 -2.702 1.00 0.61 O ATOM 491 O5' DG A 16 1.282 13.546 -2.698 1.00 0.96 O ATOM 492 C5' DG A 16 1.488 12.753 -1.527 1.00 0.67 C ATOM 493 C4' DG A 16 2.634 11.785 -1.723 1.00 0.56 C ATOM 494 O4' DG A 16 2.222 10.444 -1.350 1.00 0.50 O ATOM 495 C3' DG A 16 3.156 11.667 -3.173 1.00 0.55 C ATOM 496 O3' DG A 16 4.580 11.825 -3.189 1.00 0.61 O ATOM 497 C2' DG A 16 2.780 10.230 -3.571 1.00 0.51 C ATOM 498 C1' DG A 16 2.824 9.532 -2.236 1.00 0.45 C ATOM 499 N9 DG A 16 2.098 8.256 -2.174 1.00 0.41 N ATOM 500 C8 DG A 16 0.740 8.073 -2.159 1.00 0.43 C ATOM 501 N7 DG A 16 0.392 6.817 -2.093 1.00 0.42 N ATOM 502 C5 DG A 16 1.590 6.126 -2.067 1.00 0.39 C ATOM 503 C6 DG A 16 1.843 4.725 -1.998 1.00 0.40 C ATOM 504 O6 DG A 16 1.020 3.807 -1.945 1.00 0.44 O ATOM 505 N1 DG A 16 3.212 4.443 -1.994 1.00 0.40 N ATOM 506 C2 DG A 16 4.208 5.402 -2.051 1.00 0.40 C ATOM 507 N2 DG A 16 5.470 4.958 -2.041 1.00 0.45 N ATOM 508 N3 DG A 16 3.978 6.712 -2.113 1.00 0.40 N ATOM 509 C4 DG A 16 2.656 7.002 -2.117 1.00 0.39 C ATOM 0 H5' DG A 16 0.578 12.202 -1.292 1.00 0.67 H new ATOM 0 H5'' DG A 16 1.696 13.402 -0.676 1.00 0.67 H new ATOM 0 H4' DG A 16 3.430 12.192 -1.099 1.00 0.56 H new ATOM 0 H3' DG A 16 2.742 12.419 -3.845 1.00 0.55 H new ATOM 0 H2' DG A 16 1.793 10.176 -4.031 1.00 0.51 H new ATOM 0 H2'' DG A 16 3.487 9.802 -4.282 1.00 0.51 H new ATOM 0 H1' DG A 16 3.856 9.268 -2.004 1.00 0.45 H new ATOM 0 H8 DG A 16 0.030 8.886 -2.198 1.00 0.43 H new ATOM 0 H1 DG A 16 3.496 3.465 -1.946 1.00 0.40 H new ATOM 0 H21 DG A 16 6.244 5.621 -2.081 1.00 0.45 H new ATOM 0 H22 DG A 16 5.658 3.957 -1.993 1.00 0.45 H new ATOM 521 P DG A 17 5.352 11.968 -4.589 1.00 0.75 P ATOM 522 OP1 DG A 17 6.391 13.022 -4.463 1.00 0.98 O ATOM 523 OP2 DG A 17 4.354 12.120 -5.678 1.00 0.92 O ATOM 524 O5' DG A 17 6.072 10.548 -4.737 1.00 0.67 O ATOM 525 C5' DG A 17 7.223 10.221 -3.962 1.00 0.69 C ATOM 526 C4' DG A 17 7.795 8.874 -4.356 1.00 0.63 C ATOM 527 O4' DG A 17 6.792 7.845 -4.163 1.00 0.56 O ATOM 528 C3' DG A 17 8.243 8.749 -5.828 1.00 0.64 C ATOM 529 O3' DG A 17 9.578 8.229 -5.883 1.00 0.73 O ATOM 530 C2' DG A 17 7.249 7.759 -6.431 1.00 0.58 C ATOM 531 C1' DG A 17 6.870 6.927 -5.228 1.00 0.52 C ATOM 532 N9 DG A 17 5.588 6.214 -5.331 1.00 0.44 N ATOM 533 C8 DG A 17 4.332 6.758 -5.447 1.00 0.41 C ATOM 534 N7 DG A 17 3.388 5.861 -5.492 1.00 0.39 N ATOM 535 C5 DG A 17 4.053 4.652 -5.409 1.00 0.39 C ATOM 536 C6 DG A 17 3.545 3.322 -5.409 1.00 0.39 C ATOM 537 O6 DG A 17 2.362 2.961 -5.472 1.00 0.42 O ATOM 538 N1 DG A 17 4.572 2.372 -5.312 1.00 0.39 N ATOM 539 C2 DG A 17 5.921 2.682 -5.226 1.00 0.42 C ATOM 540 N2 DG A 17 6.784 1.657 -5.159 1.00 0.44 N ATOM 541 N3 DG A 17 6.396 3.925 -5.219 1.00 0.44 N ATOM 542 C4 DG A 17 5.417 4.853 -5.313 1.00 0.41 C ATOM 0 H5' DG A 17 6.959 10.210 -2.904 1.00 0.69 H new ATOM 0 H5'' DG A 17 7.982 10.992 -4.093 1.00 0.69 H new ATOM 0 H4' DG A 17 8.675 8.763 -3.723 1.00 0.63 H new ATOM 0 H3' DG A 17 8.253 9.700 -6.360 1.00 0.64 H new ATOM 0 H2' DG A 17 6.386 8.262 -6.868 1.00 0.58 H new ATOM 0 H2'' DG A 17 7.700 7.156 -7.219 1.00 0.58 H new ATOM 0 H1' DG A 17 7.613 6.139 -5.107 1.00 0.52 H new ATOM 0 H8 DG A 17 4.146 7.821 -5.496 1.00 0.41 H new ATOM 0 H1 DG A 17 4.309 1.387 -5.304 1.00 0.39 H new ATOM 0 H21 DG A 17 7.786 1.837 -5.095 1.00 0.44 H new ATOM 0 H22 DG A 17 6.438 0.698 -5.172 1.00 0.44 H new ATOM 554 P DG A 18 10.281 7.974 -7.303 1.00 0.88 P ATOM 555 OP1 DG A 18 11.749 8.148 -7.154 1.00 0.14 O ATOM 556 OP2 DG A 18 9.596 8.793 -8.335 1.00 0.98 O ATOM 557 O5' DG A 18 9.965 6.429 -7.569 1.00 0.80 O ATOM 558 C5' DG A 18 10.633 5.395 -6.849 1.00 0.77 C ATOM 559 C4' DG A 18 10.727 4.115 -7.711 1.00 0.61 C ATOM 560 O4' DG A 18 9.462 3.399 -7.614 1.00 0.61 O ATOM 561 C3' DG A 18 10.935 4.373 -9.190 1.00 0.58 C ATOM 562 O3' DG A 18 11.689 3.312 -9.784 1.00 0.60 O ATOM 563 C2' DG A 18 9.506 4.387 -9.718 1.00 0.57 C ATOM 564 C1' DG A 18 8.905 3.251 -8.903 1.00 0.49 C ATOM 565 N9 DG A 18 7.426 3.199 -8.775 1.00 0.44 N ATOM 566 C8 DG A 18 6.510 4.237 -8.708 1.00 0.45 C ATOM 567 N7 DG A 18 5.276 3.823 -8.607 1.00 0.43 N ATOM 568 C5 DG A 18 5.369 2.444 -8.598 1.00 0.39 C ATOM 569 C6 DG A 18 4.348 1.454 -8.504 1.00 0.38 C ATOM 570 O6 DG A 18 3.128 1.626 -8.419 1.00 0.40 O ATOM 571 N1 DG A 18 4.874 0.157 -8.524 1.00 0.38 N ATOM 572 C2 DG A 18 6.222 -0.138 -8.625 1.00 0.41 C ATOM 573 N2 DG A 18 6.559 -1.436 -8.615 1.00 0.44 N ATOM 574 N3 DG A 18 7.179 0.781 -8.718 1.00 0.42 N ATOM 575 C4 DG A 18 6.686 2.043 -8.698 1.00 0.41 C ATOM 0 H5' DG A 18 10.096 5.181 -5.925 1.00 0.77 H new ATOM 0 H5'' DG A 18 11.633 5.726 -6.567 1.00 0.77 H new ATOM 0 H4' DG A 18 11.587 3.565 -7.329 1.00 0.61 H new ATOM 0 H3' DG A 18 11.490 5.286 -9.407 1.00 0.58 H new ATOM 0 H2' DG A 18 9.005 5.338 -9.537 1.00 0.57 H new ATOM 0 H2'' DG A 18 9.457 4.200 -10.791 1.00 0.57 H new ATOM 0 H1' DG A 18 9.139 2.325 -9.429 1.00 0.49 H new ATOM 0 H8 DG A 18 6.788 5.280 -8.736 1.00 0.45 H new ATOM 0 H1 DG A 18 4.220 -0.623 -8.460 1.00 0.38 H new ATOM 0 H21 DG A 18 7.539 -1.709 -8.687 1.00 0.44 H new ATOM 0 H22 DG A 18 5.835 -2.150 -8.536 1.00 0.44 H new ATOM 587 P DG A 19 12.198 3.453 -11.299 1.00 0.73 P ATOM 588 OP1 DG A 19 13.426 2.634 -11.475 1.00 0.90 O ATOM 589 OP2 DG A 19 12.281 4.894 -11.647 1.00 0.90 O ATOM 590 O5' DG A 19 11.009 2.786 -12.127 1.00 0.72 O ATOM 591 C5' DG A 19 10.574 1.457 -11.850 1.00 0.72 C ATOM 592 C4' DG A 19 9.173 1.207 -12.362 1.00 0.75 C ATOM 593 O4' DG A 19 8.297 2.326 -12.030 1.00 0.70 O ATOM 594 C3' DG A 19 9.073 1.037 -13.866 1.00 0.93 C ATOM 595 O3' DG A 19 8.037 0.106 -14.190 1.00 0.92 O ATOM 596 C2' DG A 19 8.690 2.447 -14.329 1.00 0.97 C ATOM 597 C1' DG A 19 7.707 2.836 -13.214 1.00 0.76 C ATOM 598 N9 DG A 19 7.419 4.282 -13.006 1.00 0.80 N ATOM 599 C8 DG A 19 8.252 5.386 -13.168 1.00 0.95 C ATOM 600 N7 DG A 19 7.669 6.515 -12.863 1.00 0.03 N ATOM 601 C5 DG A 19 6.386 6.157 -12.483 1.00 0.92 C ATOM 602 C6 DG A 19 5.293 6.966 -12.040 1.00 0.99 C ATOM 603 O6 DG A 19 5.252 8.194 -11.900 1.00 0.19 O ATOM 604 N1 DG A 19 4.161 6.198 -11.749 1.00 0.86 N ATOM 605 C2 DG A 19 4.091 4.827 -11.873 1.00 0.69 C ATOM 606 N2 DG A 19 2.922 4.266 -11.541 1.00 0.64 N ATOM 607 N3 DG A 19 5.102 4.062 -12.284 1.00 0.65 N ATOM 608 C4 DG A 19 6.214 4.787 -12.570 1.00 0.76 C ATOM 0 H5' DG A 19 10.605 1.281 -10.775 1.00 0.72 H new ATOM 0 H5'' DG A 19 11.261 0.746 -12.309 1.00 0.72 H new ATOM 0 H4' DG A 19 8.878 0.276 -11.879 1.00 0.75 H new ATOM 0 H3' DG A 19 9.983 0.655 -14.330 1.00 0.93 H new ATOM 0 H2' DG A 19 9.549 3.117 -14.380 1.00 0.97 H new ATOM 0 H2'' DG A 19 8.225 2.450 -15.315 1.00 0.97 H new ATOM 0 H1' DG A 19 6.734 2.432 -13.495 1.00 0.76 H new ATOM 0 H8 DG A 19 9.274 5.316 -13.510 1.00 0.95 H new ATOM 0 H1 DG A 19 3.328 6.687 -11.422 1.00 0.86 H new ATOM 0 H21 DG A 19 2.804 3.255 -11.610 1.00 0.64 H new ATOM 0 H22 DG A 19 2.150 4.849 -11.219 1.00 0.64 H new ATOM 620 P DA A 20 8.212 -0.861 -15.457 1.00 0.31 P ATOM 621 OP1 DA A 20 8.249 -2.270 -14.987 1.00 0.55 O ATOM 622 OP2 DA A 20 9.354 -0.380 -16.275 1.00 0.68 O ATOM 623 O5' DA A 20 6.859 -0.617 -16.263 1.00 0.23 O ATOM 624 C5' DA A 20 5.724 -1.448 -16.057 1.00 0.15 C ATOM 625 C4' DA A 20 4.474 -0.814 -16.622 1.00 0.05 C ATOM 626 O4' DA A 20 4.259 0.477 -15.989 1.00 0.09 O ATOM 627 C3' DA A 20 4.519 -0.544 -18.141 1.00 0.24 C ATOM 628 O3' DA A 20 3.340 -1.066 -18.758 1.00 0.15 O ATOM 629 C2' DA A 20 4.524 1.004 -18.233 1.00 0.43 C ATOM 630 C1' DA A 20 3.777 1.381 -16.949 1.00 0.21 C ATOM 631 N9 DA A 20 3.967 2.763 -16.436 1.00 0.41 N ATOM 632 C8 DA A 20 5.082 3.588 -16.498 1.00 0.66 C ATOM 633 N7 DA A 20 4.899 4.764 -15.955 1.00 0.85 N ATOM 634 C5 DA A 20 3.593 4.730 -15.497 1.00 0.73 C ATOM 635 C6 DA A 20 2.798 5.685 -14.822 1.00 0.89 C ATOM 636 N6 DA A 20 3.224 6.913 -14.519 1.00 0.18 N ATOM 637 N1 DA A 20 1.525 5.338 -14.495 1.00 0.80 N ATOM 638 C2 DA A 20 1.090 4.110 -14.833 1.00 0.56 C ATOM 639 N3 DA A 20 1.741 3.127 -15.473 1.00 0.36 N ATOM 640 C4 DA A 20 3.005 3.505 -15.781 1.00 0.46 C ATOM 0 H5' DA A 20 5.592 -1.631 -14.991 1.00 0.15 H new ATOM 0 H5'' DA A 20 5.889 -2.417 -16.528 1.00 0.15 H new ATOM 0 H4' DA A 20 3.680 -1.535 -16.426 1.00 0.05 H new ATOM 0 H3' DA A 20 5.374 -1.004 -18.637 1.00 0.24 H new ATOM 0 H2' DA A 20 5.535 1.412 -18.256 1.00 0.43 H new ATOM 0 H2'' DA A 20 4.015 1.365 -19.127 1.00 0.43 H new ATOM 0 H1' DA A 20 2.709 1.337 -17.162 1.00 0.21 H new ATOM 0 H8 DA A 20 6.014 3.287 -16.953 1.00 0.66 H new ATOM 0 H61 DA A 20 2.606 7.561 -14.030 1.00 0.18 H new ATOM 0 H62 DA A 20 4.167 7.203 -14.776 1.00 0.18 H new ATOM 0 H2 DA A 20 0.073 3.884 -14.549 1.00 0.56 H new ATOM 652 P DA A 21 3.372 -1.514 -20.301 1.00 0.32 P ATOM 653 OP1 DA A 21 4.611 -2.296 -20.555 1.00 0.59 O ATOM 654 OP2 DA A 21 3.128 -0.323 -21.152 1.00 0.53 O ATOM 655 O5' DA A 21 2.114 -2.496 -20.405 1.00 0.13 O ATOM 656 C5' DA A 21 0.814 -2.089 -19.985 1.00 0.94 C ATOM 657 C4' DA A 21 0.721 -2.077 -18.484 1.00 0.78 C ATOM 658 O4' DA A 21 -0.538 -1.494 -18.111 1.00 0.77 O ATOM 659 C3' DA A 21 0.764 -3.463 -17.823 1.00 0.80 C ATOM 660 O3' DA A 21 1.843 -3.532 -16.884 1.00 0.82 O ATOM 661 C2' DA A 21 -0.596 -3.561 -17.089 1.00 0.78 C ATOM 662 C1' DA A 21 -0.970 -2.087 -16.924 1.00 0.74 C ATOM 663 N9 DA A 21 -2.406 -1.803 -16.765 1.00 0.93 N ATOM 664 C8 DA A 21 -3.426 -2.672 -16.450 1.00 0.12 C ATOM 665 N7 DA A 21 -4.605 -2.101 -16.382 1.00 0.34 N ATOM 666 C5 DA A 21 -4.346 -0.768 -16.668 1.00 0.32 C ATOM 667 C6 DA A 21 -5.182 0.370 -16.757 1.00 0.58 C ATOM 668 N6 DA A 21 -6.502 0.334 -16.568 1.00 0.85 N ATOM 669 N1 DA A 21 -4.601 1.561 -17.064 1.00 0.62 N ATOM 670 C2 DA A 21 -3.269 1.590 -17.264 1.00 0.42 C ATOM 671 N3 DA A 21 -2.386 0.591 -17.208 1.00 0.16 N ATOM 672 C4 DA A 21 -2.994 -0.573 -16.903 1.00 0.09 C ATOM 0 H5' DA A 21 0.065 -2.766 -20.396 1.00 0.94 H new ATOM 0 H5'' DA A 21 0.594 -1.096 -20.376 1.00 0.94 H new ATOM 0 H4' DA A 21 1.592 -1.518 -18.143 1.00 0.78 H new ATOM 0 H3' DA A 21 0.920 -4.271 -18.538 1.00 0.80 H new ATOM 0 H2' DA A 21 -1.337 -4.108 -17.672 1.00 0.78 H new ATOM 0 H2'' DA A 21 -0.507 -4.070 -16.129 1.00 0.78 H new ATOM 0 H1' DA A 21 -0.516 -1.714 -16.006 1.00 0.74 H new ATOM 0 H8 DA A 21 -3.270 -3.726 -16.275 1.00 0.12 H new ATOM 0 H61 DA A 21 -7.052 1.190 -16.646 1.00 0.85 H new ATOM 0 H62 DA A 21 -6.961 -0.549 -16.346 1.00 0.85 H new ATOM 0 H2 DA A 21 -2.857 2.559 -17.504 1.00 0.42 H new ATOM 684 P DT A 22 2.803 -4.820 -16.901 1.00 0.06 P ATOM 685 OP1 DT A 22 3.913 -4.582 -17.859 1.00 0.41 O ATOM 686 OP2 DT A 22 1.971 -6.033 -17.101 1.00 0.19 O ATOM 687 O5' DT A 22 3.399 -4.842 -15.423 1.00 0.18 O ATOM 688 C5' DT A 22 2.585 -4.624 -14.274 1.00 0.95 C ATOM 689 C4' DT A 22 3.164 -3.506 -13.446 1.00 0.82 C ATOM 690 O4' DT A 22 2.517 -2.277 -13.786 1.00 0.77 O ATOM 691 C3' DT A 22 2.950 -3.638 -11.948 1.00 0.78 C ATOM 692 O3' DT A 22 4.025 -4.382 -11.356 1.00 0.00 O ATOM 693 C2' DT A 22 2.955 -2.168 -11.457 1.00 0.79 C ATOM 694 C1' DT A 22 2.740 -1.344 -12.754 1.00 0.83 C ATOM 695 N1 DT A 22 1.588 -0.426 -12.710 1.00 0.89 N ATOM 696 C2 DT A 22 1.838 0.937 -12.687 1.00 0.18 C ATOM 697 O2 DT A 22 2.963 1.405 -12.691 1.00 0.37 O ATOM 698 N3 DT A 22 0.715 1.733 -12.656 1.00 0.36 N ATOM 699 C4 DT A 22 -0.606 1.309 -12.638 1.00 0.36 C ATOM 700 O4 DT A 22 -1.513 2.139 -12.601 1.00 0.65 O ATOM 701 C5 DT A 22 -0.797 -0.134 -12.662 1.00 0.12 C ATOM 702 C7 DT A 22 -2.188 -0.685 -12.660 1.00 0.30 C ATOM 703 C6 DT A 22 0.292 -0.926 -12.697 1.00 0.86 C ATOM 0 H5' DT A 22 2.526 -5.536 -13.680 1.00 0.95 H new ATOM 0 H5'' DT A 22 1.568 -4.375 -14.579 1.00 0.95 H new ATOM 0 H4' DT A 22 4.232 -3.539 -13.663 1.00 0.82 H new ATOM 0 H3' DT A 22 2.035 -4.168 -11.685 1.00 0.78 H new ATOM 0 H2' DT A 22 2.162 -1.986 -10.731 1.00 0.79 H new ATOM 0 H2'' DT A 22 3.897 -1.912 -10.972 1.00 0.79 H new ATOM 0 HO3' DT A 22 3.933 -4.370 -10.380 1.00 0.00 H new ATOM 0 H1' DT A 22 3.620 -0.718 -12.900 1.00 0.83 H new ATOM 0 H3 DT A 22 0.871 2.741 -12.645 1.00 0.36 H new ATOM 0 H71 DT A 22 -2.203 -1.637 -13.191 1.00 0.30 H new ATOM 0 H72 DT A 22 -2.518 -0.837 -11.632 1.00 0.30 H new ATOM 0 H73 DT A 22 -2.858 0.017 -13.156 1.00 0.30 H new ATOM 0 H6 DT A 22 0.151 -1.997 -12.716 1.00 0.86 H new TER 717 DT A 22