USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 257 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 15 DT C7 :methyl 150:sc= -0.0153 (180deg=-0.0153) USER MOD Single : A 16 DT C7 :methyl -30:sc= -1.95! (180deg=-2.24!) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -1.693 2.851 7.242 1.00 0.37 O ATOM 2 C5' DG A 1 -2.444 1.795 6.627 1.00 0.19 C ATOM 3 C4' DG A 1 -2.194 0.446 7.286 1.00 0.12 C ATOM 4 O4' DG A 1 -2.963 -0.590 6.634 1.00 0.11 O ATOM 5 C3' DG A 1 -0.717 0.061 7.211 1.00 0.11 C ATOM 6 O3' DG A 1 -0.115 0.052 8.513 1.00 0.15 O ATOM 7 C2' DG A 1 -0.686 -1.300 6.582 1.00 0.08 C ATOM 8 C1' DG A 1 -2.088 -1.612 6.109 1.00 0.09 C ATOM 9 N9 DG A 1 -2.129 -1.632 4.636 1.00 0.11 N ATOM 10 C8 DG A 1 -2.432 -2.645 3.790 1.00 0.18 C ATOM 11 N7 DG A 1 -2.353 -2.407 2.522 1.00 0.20 N ATOM 12 C5 DG A 1 -1.945 -1.069 2.508 1.00 0.11 C ATOM 13 C6 DG A 1 -1.676 -0.208 1.408 1.00 0.11 C ATOM 14 O6 DG A 1 -1.744 -0.459 0.208 1.00 0.12 O ATOM 15 N1 DG A 1 -1.292 1.058 1.835 1.00 0.11 N ATOM 16 C2 DG A 1 -1.182 1.452 3.154 1.00 0.13 C ATOM 17 N2 DG A 1 -0.803 2.709 3.365 1.00 0.18 N ATOM 18 N3 DG A 1 -1.433 0.648 4.191 1.00 0.09 N ATOM 19 C4 DG A 1 -1.808 -0.589 3.801 1.00 0.07 C ATOM 0 H5' DG A 1 -2.183 1.734 5.571 1.00 0.19 H new ATOM 0 H5'' DG A 1 -3.507 2.031 6.679 1.00 0.19 H new ATOM 0 H4' DG A 1 -2.496 0.538 8.329 1.00 0.12 H new ATOM 0 H3' DG A 1 -0.145 0.781 6.626 1.00 0.11 H new ATOM 0 H2' DG A 1 0.014 -1.321 5.747 1.00 0.08 H new ATOM 0 H2'' DG A 1 -0.348 -2.047 7.300 1.00 0.08 H new ATOM 0 HO5' DG A 1 -1.884 3.697 6.786 1.00 0.37 H new ATOM 0 H1' DG A 1 -2.408 -2.593 6.461 1.00 0.09 H new ATOM 0 H8 DG A 1 -2.728 -3.615 4.161 1.00 0.18 H new ATOM 0 H1 DG A 1 -1.074 1.750 1.118 1.00 0.11 H new ATOM 0 H21 DG A 1 -0.704 3.059 4.318 1.00 0.18 H new ATOM 0 H22 DG A 1 -0.611 3.324 2.574 1.00 0.18 H new ATOM 32 P DG A 2 -0.692 -0.874 9.700 1.00 0.15 P ATOM 33 OP1 DG A 2 -2.159 -0.981 9.537 1.00 0.12 O ATOM 34 OP2 DG A 2 -0.126 -0.391 10.980 1.00 0.19 O ATOM 35 O5' DG A 2 -0.042 -2.309 9.374 1.00 0.19 O ATOM 36 C5' DG A 2 -0.869 -3.477 9.308 1.00 0.16 C ATOM 37 C4' DG A 2 -0.356 -4.490 8.297 1.00 0.14 C ATOM 38 O4' DG A 2 -0.236 -3.905 6.980 1.00 0.17 O ATOM 39 C3' DG A 2 1.021 -5.018 8.687 1.00 0.12 C ATOM 40 O3' DG A 2 0.925 -6.341 9.223 1.00 0.08 O ATOM 41 C2' DG A 2 1.827 -4.996 7.411 1.00 0.16 C ATOM 42 C1' DG A 2 0.919 -4.463 6.323 1.00 0.14 C ATOM 43 N9 DG A 2 1.617 -3.461 5.495 1.00 0.11 N ATOM 44 C8 DG A 2 2.233 -2.314 5.867 1.00 0.10 C ATOM 45 N7 DG A 2 2.769 -1.597 4.940 1.00 0.09 N ATOM 46 C5 DG A 2 2.486 -2.345 3.796 1.00 0.10 C ATOM 47 C6 DG A 2 2.815 -2.085 2.441 1.00 0.13 C ATOM 48 O6 DG A 2 3.405 -1.109 1.976 1.00 0.13 O ATOM 49 N1 DG A 2 2.353 -3.094 1.601 1.00 0.16 N ATOM 50 C2 DG A 2 1.656 -4.211 2.007 1.00 0.16 C ATOM 51 N2 DG A 2 1.310 -5.069 1.040 1.00 0.21 N ATOM 52 N3 DG A 2 1.337 -4.462 3.285 1.00 0.15 N ATOM 53 C4 DG A 2 1.782 -3.493 4.124 1.00 0.11 C ATOM 0 H5' DG A 2 -1.885 -3.185 9.043 1.00 0.16 H new ATOM 0 H5'' DG A 2 -0.917 -3.942 10.293 1.00 0.16 H new ATOM 0 H4' DG A 2 -1.083 -5.302 8.286 1.00 0.14 H new ATOM 0 H3' DG A 2 1.488 -4.414 9.465 1.00 0.12 H new ATOM 0 H2' DG A 2 2.708 -4.364 7.522 1.00 0.16 H new ATOM 0 H2'' DG A 2 2.182 -5.996 7.162 1.00 0.16 H new ATOM 0 H1' DG A 2 0.617 -5.258 5.641 1.00 0.14 H new ATOM 0 H8 DG A 2 2.274 -2.011 6.903 1.00 0.10 H new ATOM 0 H1 DG A 2 2.546 -2.999 0.604 1.00 0.16 H new ATOM 0 H21 DG A 2 0.792 -5.917 1.272 1.00 0.21 H new ATOM 0 H22 DG A 2 1.564 -4.875 0.071 1.00 0.21 H new ATOM 65 P DG A 3 2.250 -7.187 9.566 1.00 0.08 P ATOM 66 OP1 DG A 3 1.937 -8.109 10.681 1.00 0.22 O ATOM 67 OP2 DG A 3 3.386 -6.245 9.681 1.00 0.14 O ATOM 68 O5' DG A 3 2.450 -8.058 8.231 1.00 0.18 O ATOM 69 C5' DG A 3 1.323 -8.689 7.609 1.00 0.13 C ATOM 70 C4' DG A 3 1.513 -8.862 6.112 1.00 0.15 C ATOM 71 O4' DG A 3 1.770 -7.587 5.477 1.00 0.20 O ATOM 72 C3' DG A 3 2.693 -9.783 5.810 1.00 0.18 C ATOM 73 O3' DG A 3 2.252 -10.988 5.176 1.00 0.22 O ATOM 74 C2' DG A 3 3.591 -8.997 4.897 1.00 0.15 C ATOM 75 C1' DG A 3 2.860 -7.723 4.546 1.00 0.18 C ATOM 76 N9 DG A 3 3.770 -6.571 4.606 1.00 0.18 N ATOM 77 C8 DG A 3 4.400 -6.007 5.660 1.00 0.18 C ATOM 78 N7 DG A 3 5.170 -4.993 5.424 1.00 0.19 N ATOM 79 C5 DG A 3 5.043 -4.864 4.035 1.00 0.19 C ATOM 80 C6 DG A 3 5.640 -3.937 3.142 1.00 0.22 C ATOM 81 O6 DG A 3 6.425 -3.029 3.396 1.00 0.27 O ATOM 82 N1 DG A 3 5.239 -4.164 1.832 1.00 0.23 N ATOM 83 C2 DG A 3 4.374 -5.158 1.428 1.00 0.25 C ATOM 84 N2 DG A 3 4.111 -5.224 0.130 1.00 0.33 N ATOM 85 N3 DG A 3 3.812 -6.030 2.259 1.00 0.24 N ATOM 86 C4 DG A 3 4.185 -5.829 3.536 1.00 0.20 C ATOM 0 H5' DG A 3 0.429 -8.094 7.793 1.00 0.13 H new ATOM 0 H5'' DG A 3 1.157 -9.664 8.067 1.00 0.13 H new ATOM 0 H4' DG A 3 0.593 -9.299 5.723 1.00 0.15 H new ATOM 0 H3' DG A 3 3.209 -10.087 6.721 1.00 0.18 H new ATOM 0 H2' DG A 3 4.539 -8.775 5.387 1.00 0.15 H new ATOM 0 H2'' DG A 3 3.823 -9.569 3.998 1.00 0.15 H new ATOM 0 H1' DG A 3 2.476 -7.762 3.527 1.00 0.18 H new ATOM 0 H8 DG A 3 4.266 -6.388 6.662 1.00 0.18 H new ATOM 0 H1 DG A 3 5.614 -3.546 1.112 1.00 0.23 H new ATOM 0 H21 DG A 3 3.478 -5.940 -0.226 1.00 0.33 H new ATOM 0 H22 DG A 3 4.542 -4.559 -0.512 1.00 0.33 H new ATOM 98 P DC A 4 3.309 -12.146 4.803 1.00 0.27 P ATOM 99 OP1 DC A 4 2.574 -13.249 4.146 1.00 0.41 O ATOM 100 OP2 DC A 4 4.137 -12.419 5.999 1.00 0.32 O ATOM 101 O5' DC A 4 4.237 -11.430 3.699 1.00 0.16 O ATOM 102 C5' DC A 4 5.471 -12.024 3.289 1.00 0.18 C ATOM 103 C4' DC A 4 6.210 -11.144 2.284 1.00 0.16 C ATOM 104 O4' DC A 4 5.405 -10.940 1.101 1.00 0.26 O ATOM 105 C3' DC A 4 6.531 -9.777 2.882 1.00 0.10 C ATOM 106 O3' DC A 4 7.947 -9.581 2.977 1.00 0.15 O ATOM 107 C2' DC A 4 5.905 -8.769 1.957 1.00 0.12 C ATOM 108 C1' DC A 4 5.303 -9.534 0.795 1.00 0.19 C ATOM 109 N1 DC A 4 3.895 -9.142 0.578 1.00 0.13 N ATOM 110 C2 DC A 4 3.643 -8.122 -0.328 1.00 0.10 C ATOM 111 O2 DC A 4 4.576 -7.578 -0.916 1.00 0.23 O ATOM 112 N3 DC A 4 2.352 -7.751 -0.540 1.00 0.12 N ATOM 113 C4 DC A 4 1.347 -8.355 0.109 1.00 0.27 C ATOM 114 N4 DC A 4 0.092 -7.966 -0.122 1.00 0.44 N ATOM 115 C5 DC A 4 1.601 -9.406 1.045 1.00 0.30 C ATOM 116 C6 DC A 4 2.883 -9.766 1.248 1.00 0.19 C ATOM 0 H5' DC A 4 5.276 -13.000 2.845 1.00 0.18 H new ATOM 0 H5'' DC A 4 6.103 -12.191 4.161 1.00 0.18 H new ATOM 0 H4' DC A 4 7.136 -11.657 2.026 1.00 0.16 H new ATOM 0 H3' DC A 4 6.141 -9.681 3.895 1.00 0.10 H new ATOM 0 H2' DC A 4 5.138 -8.195 2.477 1.00 0.12 H new ATOM 0 H2'' DC A 4 6.651 -8.057 1.603 1.00 0.12 H new ATOM 0 H1' DC A 4 5.840 -9.307 -0.126 1.00 0.19 H new ATOM 0 H41 DC A 4 -0.680 -8.419 0.366 1.00 0.44 H new ATOM 0 H42 DC A 4 -0.095 -7.216 -0.787 1.00 0.44 H new ATOM 0 H5 DC A 4 0.793 -9.894 1.571 1.00 0.30 H new ATOM 0 H6 DC A 4 3.112 -10.556 1.948 1.00 0.19 H new ATOM 128 P DG A 5 8.875 -9.577 1.660 1.00 0.12 P ATOM 129 OP1 DG A 5 7.994 -9.577 0.470 1.00 0.11 O ATOM 130 OP2 DG A 5 9.905 -10.628 1.817 1.00 0.13 O ATOM 131 O5' DG A 5 9.601 -8.141 1.750 1.00 0.14 O ATOM 132 C5' DG A 5 9.359 -7.137 0.755 1.00 0.16 C ATOM 133 C4' DG A 5 9.302 -5.736 1.344 1.00 0.12 C ATOM 134 O4' DG A 5 8.244 -5.630 2.323 1.00 0.16 O ATOM 135 C3' DG A 5 10.614 -5.383 2.031 1.00 0.08 C ATOM 136 O3' DG A 5 11.321 -4.372 1.304 1.00 0.08 O ATOM 137 C2' DG A 5 10.236 -4.892 3.402 1.00 0.15 C ATOM 138 C1' DG A 5 8.725 -4.946 3.498 1.00 0.18 C ATOM 139 N9 DG A 5 8.302 -5.639 4.729 1.00 0.18 N ATOM 140 C8 DG A 5 8.030 -6.952 4.937 1.00 0.14 C ATOM 141 N7 DG A 5 7.678 -7.309 6.126 1.00 0.13 N ATOM 142 C5 DG A 5 7.714 -6.091 6.812 1.00 0.15 C ATOM 143 C6 DG A 5 7.428 -5.806 8.174 1.00 0.15 C ATOM 144 O6 DG A 5 7.081 -6.583 9.060 1.00 0.17 O ATOM 145 N1 DG A 5 7.587 -4.454 8.455 1.00 0.17 N ATOM 146 C2 DG A 5 7.973 -3.492 7.544 1.00 0.20 C ATOM 147 N2 DG A 5 8.069 -2.246 8.007 1.00 0.23 N ATOM 148 N3 DG A 5 8.243 -3.752 6.260 1.00 0.22 N ATOM 149 C4 DG A 5 8.095 -5.063 5.963 1.00 0.19 C ATOM 0 H5' DG A 5 8.419 -7.353 0.247 1.00 0.16 H new ATOM 0 H5'' DG A 5 10.146 -7.179 0.002 1.00 0.16 H new ATOM 0 H4' DG A 5 9.116 -5.050 0.518 1.00 0.12 H new ATOM 0 H3' DG A 5 11.280 -6.244 2.082 1.00 0.08 H new ATOM 0 H2' DG A 5 10.693 -5.513 4.172 1.00 0.15 H new ATOM 0 H2'' DG A 5 10.595 -3.875 3.559 1.00 0.15 H new ATOM 0 H1' DG A 5 8.308 -3.940 3.546 1.00 0.18 H new ATOM 0 H8 DG A 5 8.105 -7.673 4.136 1.00 0.14 H new ATOM 0 H1 DG A 5 7.404 -4.149 9.411 1.00 0.17 H new ATOM 0 H21 DG A 5 8.350 -1.490 7.382 1.00 0.23 H new ATOM 0 H22 DG A 5 7.862 -2.048 8.986 1.00 0.23 H new ATOM 161 P DC A 6 11.811 -4.638 -0.207 1.00 0.06 P ATOM 162 OP1 DC A 6 11.382 -5.998 -0.602 1.00 0.19 O ATOM 163 OP2 DC A 6 13.237 -4.257 -0.303 1.00 0.22 O ATOM 164 O5' DC A 6 10.946 -3.572 -1.048 1.00 0.17 O ATOM 165 C5' DC A 6 10.134 -3.995 -2.146 1.00 0.15 C ATOM 166 C4' DC A 6 9.665 -2.806 -2.985 1.00 0.09 C ATOM 167 O4' DC A 6 8.910 -1.871 -2.178 1.00 0.14 O ATOM 168 C3' DC A 6 10.851 -2.055 -3.589 1.00 0.13 C ATOM 169 O3' DC A 6 10.780 -2.046 -5.031 1.00 0.13 O ATOM 170 C2' DC A 6 10.773 -0.666 -3.015 1.00 0.16 C ATOM 171 C1' DC A 6 9.410 -0.533 -2.378 1.00 0.14 C ATOM 172 N1 DC A 6 9.487 0.204 -1.100 1.00 0.14 N ATOM 173 C2 DC A 6 9.348 1.583 -1.143 1.00 0.13 C ATOM 174 O2 DC A 6 9.201 2.154 -2.221 1.00 0.16 O ATOM 175 N3 DC A 6 9.378 2.271 0.032 1.00 0.18 N ATOM 176 C4 DC A 6 9.537 1.634 1.199 1.00 0.23 C ATOM 177 N4 DC A 6 9.560 2.338 2.331 1.00 0.33 N ATOM 178 C5 DC A 6 9.683 0.212 1.247 1.00 0.22 C ATOM 179 C6 DC A 6 9.657 -0.458 0.077 1.00 0.16 C ATOM 0 H5' DC A 6 9.269 -4.541 -1.771 1.00 0.15 H new ATOM 0 H5'' DC A 6 10.699 -4.685 -2.773 1.00 0.15 H new ATOM 0 H4' DC A 6 9.037 -3.208 -3.780 1.00 0.09 H new ATOM 0 H3' DC A 6 11.802 -2.530 -3.348 1.00 0.13 H new ATOM 0 H2' DC A 6 11.561 -0.507 -2.279 1.00 0.16 H new ATOM 0 H2'' DC A 6 10.910 0.083 -3.795 1.00 0.16 H new ATOM 0 H1' DC A 6 8.739 0.037 -3.020 1.00 0.14 H new ATOM 0 H41 DC A 6 9.681 1.862 3.225 1.00 0.33 H new ATOM 0 H42 DC A 6 9.457 3.352 2.303 1.00 0.33 H new ATOM 0 H5 DC A 6 9.809 -0.306 2.186 1.00 0.22 H new ATOM 0 H6 DC A 6 9.772 -1.532 0.074 1.00 0.16 H new ATOM 191 P DG A 7 9.725 -1.121 -5.838 1.00 0.14 P ATOM 192 OP1 DG A 7 10.491 -0.195 -6.702 1.00 0.18 O ATOM 193 OP2 DG A 7 8.740 -0.584 -4.876 1.00 0.22 O ATOM 194 O5' DG A 7 8.964 -2.182 -6.789 1.00 0.13 O ATOM 195 C5' DG A 7 8.108 -3.168 -6.204 1.00 0.18 C ATOM 196 C4' DG A 7 7.055 -3.716 -7.154 1.00 0.20 C ATOM 197 O4' DG A 7 6.309 -4.754 -6.495 1.00 0.19 O ATOM 198 C3' DG A 7 6.060 -2.633 -7.542 1.00 0.17 C ATOM 199 O3' DG A 7 5.700 -2.734 -8.922 1.00 0.19 O ATOM 200 C2' DG A 7 4.861 -2.874 -6.673 1.00 0.15 C ATOM 201 C1' DG A 7 5.081 -4.199 -5.982 1.00 0.15 C ATOM 202 N9 DG A 7 5.147 -4.031 -4.526 1.00 0.09 N ATOM 203 C8 DG A 7 4.882 -4.932 -3.567 1.00 0.13 C ATOM 204 N7 DG A 7 5.008 -4.557 -2.341 1.00 0.17 N ATOM 205 C5 DG A 7 5.407 -3.225 -2.490 1.00 0.10 C ATOM 206 C6 DG A 7 5.708 -2.244 -1.506 1.00 0.13 C ATOM 207 O6 DG A 7 5.684 -2.357 -0.284 1.00 0.25 O ATOM 208 N1 DG A 7 6.064 -1.032 -2.086 1.00 0.09 N ATOM 209 C2 DG A 7 6.125 -0.790 -3.443 1.00 0.12 C ATOM 210 N2 DG A 7 6.478 0.441 -3.808 1.00 0.19 N ATOM 211 N3 DG A 7 5.844 -1.708 -4.373 1.00 0.13 N ATOM 212 C4 DG A 7 5.495 -2.896 -3.829 1.00 0.06 C ATOM 0 H5' DG A 7 7.610 -2.733 -5.337 1.00 0.18 H new ATOM 0 H5'' DG A 7 8.719 -3.994 -5.839 1.00 0.18 H new ATOM 0 H4' DG A 7 7.569 -4.091 -8.039 1.00 0.20 H new ATOM 0 H3' DG A 7 6.479 -1.636 -7.404 1.00 0.17 H new ATOM 0 H2' DG A 7 4.745 -2.072 -5.944 1.00 0.15 H new ATOM 0 H2'' DG A 7 3.949 -2.896 -7.270 1.00 0.15 H new ATOM 0 H1' DG A 7 4.247 -4.873 -6.181 1.00 0.15 H new ATOM 0 H8 DG A 7 4.574 -5.937 -3.815 1.00 0.13 H new ATOM 0 H1 DG A 7 6.298 -0.262 -1.460 1.00 0.09 H new ATOM 0 H21 DG A 7 6.541 0.681 -4.797 1.00 0.19 H new ATOM 0 H22 DG A 7 6.685 1.144 -3.098 1.00 0.19 H new ATOM 224 P DG A 8 5.301 -4.160 -9.561 1.00 0.28 P ATOM 225 OP1 DG A 8 6.535 -4.968 -9.679 1.00 0.40 O ATOM 226 OP2 DG A 8 4.469 -3.910 -10.759 1.00 0.42 O ATOM 227 O5' DG A 8 4.364 -4.836 -8.431 1.00 0.16 O ATOM 228 C5' DG A 8 4.217 -6.264 -8.398 1.00 0.17 C ATOM 229 C4' DG A 8 3.073 -6.756 -7.510 1.00 0.12 C ATOM 230 O4' DG A 8 3.301 -6.506 -6.104 1.00 0.09 O ATOM 231 C3' DG A 8 1.750 -6.091 -7.858 1.00 0.10 C ATOM 232 O3' DG A 8 0.948 -6.910 -8.723 1.00 0.15 O ATOM 233 C2' DG A 8 1.072 -5.870 -6.526 1.00 0.13 C ATOM 234 C1' DG A 8 2.007 -6.427 -5.474 1.00 0.10 C ATOM 235 N9 DG A 8 2.008 -5.602 -4.242 1.00 0.10 N ATOM 236 C8 DG A 8 1.848 -5.995 -2.952 1.00 0.10 C ATOM 237 N7 DG A 8 1.877 -5.087 -2.034 1.00 0.11 N ATOM 238 C5 DG A 8 2.078 -3.929 -2.793 1.00 0.09 C ATOM 239 C6 DG A 8 2.200 -2.578 -2.373 1.00 0.11 C ATOM 240 O6 DG A 8 2.163 -2.130 -1.228 1.00 0.15 O ATOM 241 N1 DG A 8 2.388 -1.725 -3.453 1.00 0.12 N ATOM 242 C2 DG A 8 2.452 -2.116 -4.776 1.00 0.11 C ATOM 243 N2 DG A 8 2.627 -1.146 -5.671 1.00 0.12 N ATOM 244 N3 DG A 8 2.342 -3.385 -5.181 1.00 0.11 N ATOM 245 C4 DG A 8 2.157 -4.236 -4.148 1.00 0.10 C ATOM 0 H5' DG A 8 5.150 -6.706 -8.048 1.00 0.17 H new ATOM 0 H5'' DG A 8 4.055 -6.625 -9.414 1.00 0.17 H new ATOM 0 H4' DG A 8 3.032 -7.829 -7.698 1.00 0.12 H new ATOM 0 H3' DG A 8 1.898 -5.161 -8.407 1.00 0.10 H new ATOM 0 H2' DG A 8 0.884 -4.810 -6.357 1.00 0.13 H new ATOM 0 H2'' DG A 8 0.106 -6.374 -6.493 1.00 0.13 H new ATOM 0 H1' DG A 8 1.689 -7.412 -5.133 1.00 0.10 H new ATOM 0 H8 DG A 8 1.701 -7.035 -2.701 1.00 0.10 H new ATOM 0 H1 DG A 8 2.487 -0.730 -3.253 1.00 0.12 H new ATOM 0 H21 DG A 8 2.682 -1.372 -6.664 1.00 0.12 H new ATOM 0 H22 DG A 8 2.706 -0.177 -5.364 1.00 0.12 H new ATOM 257 P DG A 9 0.580 -8.433 -8.342 1.00 0.14 P ATOM 258 OP1 DG A 9 1.814 -9.104 -7.878 1.00 0.15 O ATOM 259 OP2 DG A 9 -0.197 -9.014 -9.460 1.00 0.20 O ATOM 260 O5' DG A 9 -0.406 -8.267 -7.080 1.00 0.17 O ATOM 261 C5' DG A 9 -0.681 -9.393 -6.236 1.00 0.19 C ATOM 262 C4' DG A 9 -1.613 -9.057 -5.080 1.00 0.11 C ATOM 263 O4' DG A 9 -1.113 -7.941 -4.314 1.00 0.10 O ATOM 264 C3' DG A 9 -3.012 -8.686 -5.568 1.00 0.10 C ATOM 265 O3' DG A 9 -3.936 -9.756 -5.332 1.00 0.15 O ATOM 266 C2' DG A 9 -3.391 -7.461 -4.779 1.00 0.13 C ATOM 267 C1' DG A 9 -2.229 -7.152 -3.859 1.00 0.09 C ATOM 268 N9 DG A 9 -1.913 -5.710 -3.864 1.00 0.07 N ATOM 269 C8 DG A 9 -1.678 -4.868 -4.902 1.00 0.08 C ATOM 270 N7 DG A 9 -1.421 -3.631 -4.622 1.00 0.10 N ATOM 271 C5 DG A 9 -1.493 -3.637 -3.225 1.00 0.07 C ATOM 272 C6 DG A 9 -1.310 -2.576 -2.297 1.00 0.12 C ATOM 273 O6 DG A 9 -1.040 -1.400 -2.527 1.00 0.18 O ATOM 274 N1 DG A 9 -1.474 -3.010 -0.988 1.00 0.11 N ATOM 275 C2 DG A 9 -1.777 -4.303 -0.611 1.00 0.09 C ATOM 276 N2 DG A 9 -1.904 -4.523 0.697 1.00 0.15 N ATOM 277 N3 DG A 9 -1.949 -5.304 -1.475 1.00 0.07 N ATOM 278 C4 DG A 9 -1.795 -4.905 -2.756 1.00 0.05 C ATOM 0 H5' DG A 9 0.257 -9.780 -5.838 1.00 0.19 H new ATOM 0 H5'' DG A 9 -1.125 -10.188 -6.834 1.00 0.19 H new ATOM 0 H4' DG A 9 -1.661 -9.954 -4.462 1.00 0.11 H new ATOM 0 H3' DG A 9 -3.033 -8.499 -6.642 1.00 0.10 H new ATOM 0 H2' DG A 9 -3.591 -6.621 -5.444 1.00 0.13 H new ATOM 0 H2'' DG A 9 -4.301 -7.638 -4.205 1.00 0.13 H new ATOM 0 H1' DG A 9 -2.475 -7.402 -2.827 1.00 0.09 H new ATOM 0 H8 DG A 9 -1.704 -5.217 -5.924 1.00 0.08 H new ATOM 0 H1 DG A 9 -1.362 -2.319 -0.246 1.00 0.11 H new ATOM 0 H21 DG A 9 -2.127 -5.458 1.038 1.00 0.15 H new ATOM 0 H22 DG A 9 -1.778 -3.756 1.358 1.00 0.15 H new ATOM 290 P DA A 10 -5.519 -9.545 -5.556 1.00 0.10 P ATOM 291 OP1 DA A 10 -6.167 -10.876 -5.568 1.00 0.11 O ATOM 292 OP2 DA A 10 -5.705 -8.624 -6.700 1.00 0.06 O ATOM 293 O5' DA A 10 -5.967 -8.776 -4.213 1.00 0.20 O ATOM 294 C5' DA A 10 -5.788 -9.390 -2.933 1.00 0.20 C ATOM 295 C4' DA A 10 -5.906 -8.374 -1.796 1.00 0.21 C ATOM 296 O4' DA A 10 -5.013 -7.256 -2.015 1.00 0.19 O ATOM 297 C3' DA A 10 -7.329 -7.823 -1.681 1.00 0.20 C ATOM 298 O3' DA A 10 -7.888 -8.132 -0.395 1.00 0.19 O ATOM 299 C2' DA A 10 -7.194 -6.336 -1.872 1.00 0.20 C ATOM 300 C1' DA A 10 -5.722 -6.020 -1.796 1.00 0.16 C ATOM 301 N9 DA A 10 -5.358 -4.998 -2.795 1.00 0.14 N ATOM 302 C8 DA A 10 -5.384 -5.060 -4.147 1.00 0.12 C ATOM 303 N7 DA A 10 -5.031 -4.005 -4.800 1.00 0.08 N ATOM 304 C5 DA A 10 -4.731 -3.119 -3.761 1.00 0.08 C ATOM 305 C6 DA A 10 -4.287 -1.793 -3.744 1.00 0.17 C ATOM 306 N6 DA A 10 -4.056 -1.087 -4.850 1.00 0.30 N ATOM 307 N1 DA A 10 -4.091 -1.220 -2.542 1.00 0.20 N ATOM 308 C2 DA A 10 -4.318 -1.908 -1.422 1.00 0.17 C ATOM 309 N3 DA A 10 -4.739 -3.165 -1.322 1.00 0.14 N ATOM 310 C4 DA A 10 -4.926 -3.716 -2.537 1.00 0.09 C ATOM 0 H5' DA A 10 -4.810 -9.869 -2.893 1.00 0.20 H new ATOM 0 H5'' DA A 10 -6.533 -10.175 -2.799 1.00 0.20 H new ATOM 0 H4' DA A 10 -5.642 -8.898 -0.878 1.00 0.21 H new ATOM 0 H3' DA A 10 -8.000 -8.262 -2.419 1.00 0.20 H new ATOM 0 H2' DA A 10 -7.606 -6.031 -2.834 1.00 0.20 H new ATOM 0 H2'' DA A 10 -7.746 -5.796 -1.103 1.00 0.20 H new ATOM 0 H1' DA A 10 -5.459 -5.606 -0.823 1.00 0.16 H new ATOM 0 H8 DA A 10 -5.689 -5.960 -4.660 1.00 0.12 H new ATOM 0 H61 DA A 10 -3.733 -0.122 -4.781 1.00 0.30 H new ATOM 0 H62 DA A 10 -4.203 -1.511 -5.766 1.00 0.30 H new ATOM 0 H2 DA A 10 -4.140 -1.386 -0.493 1.00 0.17 H new ATOM 322 P DG A 11 -9.199 -7.367 0.145 1.00 0.27 P ATOM 323 OP1 DG A 11 -9.782 -8.167 1.246 1.00 0.24 O ATOM 324 OP2 DG A 11 -10.033 -6.996 -1.020 1.00 0.38 O ATOM 325 O5' DG A 11 -8.580 -6.016 0.774 1.00 0.29 O ATOM 326 C5' DG A 11 -8.186 -5.971 2.154 1.00 0.17 C ATOM 327 C4' DG A 11 -9.246 -5.322 3.036 1.00 0.14 C ATOM 328 O4' DG A 11 -8.883 -5.426 4.433 1.00 0.18 O ATOM 329 C3' DG A 11 -9.401 -3.844 2.694 1.00 0.11 C ATOM 330 O3' DG A 11 -10.763 -3.536 2.371 1.00 0.21 O ATOM 331 C2' DG A 11 -8.957 -3.096 3.922 1.00 0.18 C ATOM 332 C1' DG A 11 -8.784 -4.114 5.028 1.00 0.16 C ATOM 333 N9 DG A 11 -7.483 -3.941 5.701 1.00 0.16 N ATOM 334 C8 DG A 11 -6.246 -4.326 5.300 1.00 0.18 C ATOM 335 N7 DG A 11 -5.254 -4.056 6.081 1.00 0.17 N ATOM 336 C5 DG A 11 -5.894 -3.410 7.143 1.00 0.15 C ATOM 337 C6 DG A 11 -5.350 -2.863 8.337 1.00 0.16 C ATOM 338 O6 DG A 11 -4.175 -2.839 8.697 1.00 0.21 O ATOM 339 N1 DG A 11 -6.338 -2.304 9.138 1.00 0.14 N ATOM 340 C2 DG A 11 -7.684 -2.274 8.835 1.00 0.14 C ATOM 341 N2 DG A 11 -8.478 -1.691 9.734 1.00 0.13 N ATOM 342 N3 DG A 11 -8.204 -2.787 7.715 1.00 0.16 N ATOM 343 C4 DG A 11 -7.260 -3.337 6.918 1.00 0.15 C ATOM 0 H5' DG A 11 -7.252 -5.417 2.245 1.00 0.17 H new ATOM 0 H5'' DG A 11 -7.992 -6.984 2.508 1.00 0.17 H new ATOM 0 H4' DG A 11 -10.185 -5.846 2.856 1.00 0.14 H new ATOM 0 H3' DG A 11 -8.808 -3.569 1.822 1.00 0.11 H new ATOM 0 H2' DG A 11 -8.021 -2.569 3.734 1.00 0.18 H new ATOM 0 H2'' DG A 11 -9.695 -2.345 4.203 1.00 0.18 H new ATOM 0 H1' DG A 11 -9.556 -3.983 5.786 1.00 0.16 H new ATOM 0 H8 DG A 11 -6.096 -4.840 4.362 1.00 0.18 H new ATOM 0 H1 DG A 11 -6.045 -1.883 10.020 1.00 0.14 H new ATOM 0 H21 DG A 11 -9.483 -1.637 9.568 1.00 0.13 H new ATOM 0 H22 DG A 11 -8.080 -1.299 10.588 1.00 0.13 H new ATOM 355 P DG A 12 -11.216 -2.011 2.126 1.00 0.16 P ATOM 356 OP1 DG A 12 -12.671 -1.995 1.858 1.00 0.19 O ATOM 357 OP2 DG A 12 -10.278 -1.398 1.158 1.00 0.16 O ATOM 358 O5' DG A 12 -10.960 -1.345 3.569 1.00 0.12 O ATOM 359 C5' DG A 12 -10.960 0.079 3.728 1.00 0.09 C ATOM 360 C4' DG A 12 -11.270 0.500 5.157 1.00 0.17 C ATOM 361 O4' DG A 12 -10.249 0.035 6.067 1.00 0.29 O ATOM 362 C3' DG A 12 -11.350 2.017 5.281 1.00 0.15 C ATOM 363 O3' DG A 12 -12.703 2.446 5.467 1.00 0.17 O ATOM 364 C2' DG A 12 -10.505 2.370 6.474 1.00 0.20 C ATOM 365 C1' DG A 12 -9.919 1.078 7.007 1.00 0.22 C ATOM 366 N9 DG A 12 -8.455 1.197 7.175 1.00 0.17 N ATOM 367 C8 DG A 12 -7.481 1.405 6.247 1.00 0.27 C ATOM 368 N7 DG A 12 -6.262 1.475 6.667 1.00 0.27 N ATOM 369 C5 DG A 12 -6.423 1.294 8.045 1.00 0.15 C ATOM 370 C6 DG A 12 -5.447 1.267 9.078 1.00 0.17 C ATOM 371 O6 DG A 12 -4.229 1.402 8.980 1.00 0.26 O ATOM 372 N1 DG A 12 -6.029 1.060 10.323 1.00 0.17 N ATOM 373 C2 DG A 12 -7.380 0.898 10.552 1.00 0.15 C ATOM 374 N2 DG A 12 -7.746 0.710 11.820 1.00 0.28 N ATOM 375 N3 DG A 12 -8.304 0.922 9.586 1.00 0.10 N ATOM 376 C4 DG A 12 -7.761 1.123 8.363 1.00 0.08 C ATOM 0 H5' DG A 12 -11.696 0.518 3.054 1.00 0.09 H new ATOM 0 H5'' DG A 12 -9.987 0.475 3.438 1.00 0.09 H new ATOM 0 H4' DG A 12 -12.232 0.055 5.412 1.00 0.17 H new ATOM 0 H3' DG A 12 -10.995 2.512 4.377 1.00 0.15 H new ATOM 0 H2' DG A 12 -9.713 3.064 6.193 1.00 0.20 H new ATOM 0 H2'' DG A 12 -11.105 2.864 7.238 1.00 0.20 H new ATOM 0 H1' DG A 12 -10.332 0.846 7.989 1.00 0.22 H new ATOM 0 H8 DG A 12 -7.719 1.508 5.199 1.00 0.27 H new ATOM 0 H1 DG A 12 -5.408 1.025 11.132 1.00 0.17 H new ATOM 0 H21 DG A 12 -8.731 0.584 12.053 1.00 0.28 H new ATOM 0 H22 DG A 12 -7.041 0.692 12.557 1.00 0.28 H new ATOM 388 P DA A 13 -13.529 3.090 4.243 1.00 0.16 P ATOM 389 OP1 DA A 13 -14.864 3.486 4.744 1.00 0.16 O ATOM 390 OP2 DA A 13 -13.414 2.183 3.079 1.00 0.22 O ATOM 391 O5' DA A 13 -12.691 4.427 3.924 1.00 0.15 O ATOM 392 C5' DA A 13 -13.015 5.234 2.789 1.00 0.17 C ATOM 393 C4' DA A 13 -12.104 6.454 2.692 1.00 0.15 C ATOM 394 O4' DA A 13 -12.224 7.276 3.874 1.00 0.19 O ATOM 395 C3' DA A 13 -10.647 6.028 2.552 1.00 0.15 C ATOM 396 O3' DA A 13 -10.102 6.456 1.298 1.00 0.21 O ATOM 397 C2' DA A 13 -9.921 6.670 3.700 1.00 0.14 C ATOM 398 C1' DA A 13 -10.960 7.352 4.567 1.00 0.13 C ATOM 399 N9 DA A 13 -11.048 6.698 5.886 1.00 0.18 N ATOM 400 C8 DA A 13 -10.097 6.546 6.841 1.00 0.21 C ATOM 401 N7 DA A 13 -10.432 5.922 7.921 1.00 0.29 N ATOM 402 C5 DA A 13 -11.771 5.614 7.664 1.00 0.32 C ATOM 403 C6 DA A 13 -12.749 4.943 8.408 1.00 0.44 C ATOM 404 N6 DA A 13 -12.522 4.435 9.619 1.00 0.54 N ATOM 405 N1 DA A 13 -13.968 4.815 7.854 1.00 0.48 N ATOM 406 C2 DA A 13 -14.215 5.315 6.642 1.00 0.44 C ATOM 407 N3 DA A 13 -13.366 5.966 5.854 1.00 0.35 N ATOM 408 C4 DA A 13 -12.153 6.082 6.428 1.00 0.28 C ATOM 0 H5' DA A 13 -14.053 5.558 2.856 1.00 0.17 H new ATOM 0 H5'' DA A 13 -12.925 4.639 1.880 1.00 0.17 H new ATOM 0 H4' DA A 13 -12.411 7.021 1.813 1.00 0.15 H new ATOM 0 H3' DA A 13 -10.548 4.943 2.573 1.00 0.15 H new ATOM 0 H2' DA A 13 -9.373 5.923 4.274 1.00 0.14 H new ATOM 0 H2'' DA A 13 -9.190 7.392 3.336 1.00 0.14 H new ATOM 0 H1' DA A 13 -10.685 8.392 4.741 1.00 0.13 H new ATOM 0 H8 DA A 13 -9.098 6.932 6.704 1.00 0.21 H new ATOM 0 H61 DA A 13 -13.270 3.955 10.119 1.00 0.54 H new ATOM 0 H62 DA A 13 -11.600 4.526 10.046 1.00 0.54 H new ATOM 0 H2 DA A 13 -15.215 5.175 6.259 1.00 0.44 H new ATOM 420 P DA A 14 -10.129 8.008 0.870 1.00 0.18 P ATOM 421 OP1 DA A 14 -9.761 8.820 2.052 1.00 0.28 O ATOM 422 OP2 DA A 14 -11.401 8.271 0.162 1.00 0.42 O ATOM 423 O5' DA A 14 -8.927 8.101 -0.199 1.00 0.25 O ATOM 424 C5' DA A 14 -7.584 8.330 0.238 1.00 0.22 C ATOM 425 C4' DA A 14 -6.809 7.023 0.402 1.00 0.17 C ATOM 426 O4' DA A 14 -7.618 6.018 1.054 1.00 0.18 O ATOM 427 C3' DA A 14 -6.357 6.461 -0.946 1.00 0.18 C ATOM 428 O3' DA A 14 -4.931 6.539 -1.080 1.00 0.20 O ATOM 429 C2' DA A 14 -6.835 5.036 -0.971 1.00 0.18 C ATOM 430 C1' DA A 14 -7.459 4.752 0.380 1.00 0.18 C ATOM 431 N9 DA A 14 -8.758 4.066 0.229 1.00 0.18 N ATOM 432 C8 DA A 14 -9.174 2.884 0.743 1.00 0.17 C ATOM 433 N7 DA A 14 -10.372 2.496 0.455 1.00 0.17 N ATOM 434 C5 DA A 14 -10.820 3.545 -0.354 1.00 0.17 C ATOM 435 C6 DA A 14 -12.031 3.782 -1.014 1.00 0.19 C ATOM 436 N6 DA A 14 -13.065 2.943 -0.966 1.00 0.23 N ATOM 437 N1 DA A 14 -12.136 4.918 -1.727 1.00 0.19 N ATOM 438 C2 DA A 14 -11.113 5.773 -1.788 1.00 0.18 C ATOM 439 N3 DA A 14 -9.925 5.649 -1.204 1.00 0.19 N ATOM 440 C4 DA A 14 -9.844 4.504 -0.497 1.00 0.17 C ATOM 0 H5' DA A 14 -7.597 8.866 1.187 1.00 0.22 H new ATOM 0 H5'' DA A 14 -7.072 8.968 -0.482 1.00 0.22 H new ATOM 0 H4' DA A 14 -5.936 7.258 1.011 1.00 0.17 H new ATOM 0 H3' DA A 14 -6.768 7.030 -1.780 1.00 0.18 H new ATOM 0 H2' DA A 14 -7.562 4.887 -1.770 1.00 0.18 H new ATOM 0 H2'' DA A 14 -6.006 4.355 -1.163 1.00 0.18 H new ATOM 0 H1' DA A 14 -6.820 4.088 0.963 1.00 0.18 H new ATOM 0 H8 DA A 14 -8.528 2.288 1.370 1.00 0.17 H new ATOM 0 H61 DA A 14 -13.926 3.165 -1.466 1.00 0.23 H new ATOM 0 H62 DA A 14 -12.996 2.079 -0.429 1.00 0.23 H new ATOM 0 H2 DA A 14 -11.267 6.665 -2.377 1.00 0.18 H new ATOM 452 P DT A 15 -4.199 7.974 -1.180 1.00 0.23 P ATOM 453 OP1 DT A 15 -2.997 7.940 -0.318 1.00 0.31 O ATOM 454 OP2 DT A 15 -5.220 9.027 -0.979 1.00 0.22 O ATOM 455 O5' DT A 15 -3.716 8.028 -2.719 1.00 0.30 O ATOM 456 C5' DT A 15 -4.378 7.250 -3.720 1.00 0.20 C ATOM 457 C4' DT A 15 -3.376 6.397 -4.516 1.00 0.14 C ATOM 458 O4' DT A 15 -2.610 5.558 -3.618 1.00 0.14 O ATOM 459 C3' DT A 15 -4.077 5.472 -5.509 1.00 0.11 C ATOM 460 O3' DT A 15 -3.319 5.376 -6.731 1.00 0.09 O ATOM 461 C2' DT A 15 -4.139 4.157 -4.784 1.00 0.11 C ATOM 462 C1' DT A 15 -2.990 4.174 -3.795 1.00 0.11 C ATOM 463 N1 DT A 15 -3.382 3.570 -2.510 1.00 0.10 N ATOM 464 C2 DT A 15 -3.788 2.249 -2.522 1.00 0.13 C ATOM 465 O2 DT A 15 -3.807 1.581 -3.554 1.00 0.19 O ATOM 466 N3 DT A 15 -4.173 1.722 -1.303 1.00 0.15 N ATOM 467 C4 DT A 15 -4.188 2.394 -0.093 1.00 0.10 C ATOM 468 O4 DT A 15 -4.548 1.825 0.936 1.00 0.13 O ATOM 469 C5 DT A 15 -3.750 3.769 -0.181 1.00 0.10 C ATOM 470 C7 DT A 15 -3.779 4.653 1.059 1.00 0.11 C ATOM 471 C6 DT A 15 -3.364 4.302 -1.354 1.00 0.13 C ATOM 0 H5' DT A 15 -4.918 7.910 -4.399 1.00 0.20 H new ATOM 0 H5'' DT A 15 -5.118 6.602 -3.250 1.00 0.20 H new ATOM 0 H4' DT A 15 -2.733 7.093 -5.055 1.00 0.14 H new ATOM 0 H3' DT A 15 -5.065 5.824 -5.807 1.00 0.11 H new ATOM 0 H2' DT A 15 -5.094 4.038 -4.272 1.00 0.11 H new ATOM 0 H2'' DT A 15 -4.044 3.323 -5.479 1.00 0.11 H new ATOM 0 H1' DT A 15 -2.153 3.585 -4.171 1.00 0.11 H new ATOM 0 H3 DT A 15 -4.474 0.747 -1.295 1.00 0.15 H new ATOM 0 H71 DT A 15 -2.986 5.398 0.993 1.00 0.11 H new ATOM 0 H72 DT A 15 -4.744 5.155 1.126 1.00 0.11 H new ATOM 0 H73 DT A 15 -3.627 4.039 1.947 1.00 0.11 H new ATOM 0 H6 DT A 15 -3.033 5.330 -1.384 1.00 0.13 H new ATOM 484 P DT A 16 -2.402 4.092 -7.071 1.00 0.13 P ATOM 485 OP1 DT A 16 -1.441 3.901 -5.962 1.00 0.19 O ATOM 486 OP2 DT A 16 -1.908 4.229 -8.459 1.00 0.17 O ATOM 487 O5' DT A 16 -3.470 2.883 -7.032 1.00 0.17 O ATOM 488 C5' DT A 16 -3.030 1.521 -7.042 1.00 0.10 C ATOM 489 C4' DT A 16 -3.800 0.684 -8.062 1.00 0.10 C ATOM 490 O4' DT A 16 -5.142 0.378 -7.590 1.00 0.13 O ATOM 491 C3' DT A 16 -3.929 1.428 -9.388 1.00 0.09 C ATOM 492 O3' DT A 16 -3.404 0.643 -10.465 1.00 0.11 O ATOM 493 C2' DT A 16 -5.405 1.671 -9.572 1.00 0.18 C ATOM 494 C1' DT A 16 -6.128 0.807 -8.562 1.00 0.15 C ATOM 495 N1 DT A 16 -7.229 1.556 -7.916 1.00 0.10 N ATOM 496 C2 DT A 16 -8.507 1.358 -8.410 1.00 0.12 C ATOM 497 O2 DT A 16 -8.733 0.608 -9.356 1.00 0.17 O ATOM 498 N3 DT A 16 -9.518 2.056 -7.777 1.00 0.11 N ATOM 499 C4 DT A 16 -9.366 2.920 -6.708 1.00 0.08 C ATOM 500 O4 DT A 16 -10.340 3.489 -6.220 1.00 0.11 O ATOM 501 C5 DT A 16 -7.999 3.066 -6.258 1.00 0.05 C ATOM 502 C7 DT A 16 -7.697 3.982 -5.073 1.00 0.09 C ATOM 503 C6 DT A 16 -6.992 2.396 -6.865 1.00 0.09 C ATOM 0 H5' DT A 16 -3.157 1.091 -6.049 1.00 0.10 H new ATOM 0 H5'' DT A 16 -1.965 1.485 -7.272 1.00 0.10 H new ATOM 0 H4' DT A 16 -3.237 -0.239 -8.200 1.00 0.10 H new ATOM 0 H3' DT A 16 -3.365 2.361 -9.383 1.00 0.09 H new ATOM 0 H2' DT A 16 -5.644 2.724 -9.420 1.00 0.18 H new ATOM 0 H2'' DT A 16 -5.713 1.418 -10.586 1.00 0.18 H new ATOM 0 H1' DT A 16 -6.585 -0.055 -9.047 1.00 0.15 H new ATOM 0 H3 DT A 16 -10.465 1.921 -8.131 1.00 0.11 H new ATOM 0 H71 DT A 16 -8.427 4.791 -5.043 1.00 0.09 H new ATOM 0 H72 DT A 16 -7.752 3.409 -4.147 1.00 0.09 H new ATOM 0 H73 DT A 16 -6.696 4.400 -5.182 1.00 0.09 H new ATOM 0 H6 DT A 16 -5.980 2.528 -6.511 1.00 0.09 H new ATOM 516 P DG A 17 -2.690 1.352 -11.725 1.00 0.09 P ATOM 517 OP1 DG A 17 -3.203 2.737 -11.829 1.00 0.20 O ATOM 518 OP2 DG A 17 -2.792 0.439 -12.886 1.00 0.12 O ATOM 519 O5' DG A 17 -1.146 1.419 -11.270 1.00 0.22 O ATOM 520 C5' DG A 17 -0.749 2.228 -10.153 1.00 0.16 C ATOM 521 C4' DG A 17 0.692 2.696 -10.250 1.00 0.09 C ATOM 522 O4' DG A 17 0.978 3.634 -9.192 1.00 0.10 O ATOM 523 C3' DG A 17 1.670 1.531 -10.123 1.00 0.07 C ATOM 524 O3' DG A 17 2.649 1.562 -11.169 1.00 0.06 O ATOM 525 C2' DG A 17 2.323 1.704 -8.790 1.00 0.08 C ATOM 526 C1' DG A 17 1.997 3.107 -8.317 1.00 0.08 C ATOM 527 N9 DG A 17 1.537 3.127 -6.914 1.00 0.08 N ATOM 528 C8 DG A 17 1.566 4.149 -6.030 1.00 0.12 C ATOM 529 N7 DG A 17 1.094 3.938 -4.850 1.00 0.15 N ATOM 530 C5 DG A 17 0.689 2.605 -4.937 1.00 0.12 C ATOM 531 C6 DG A 17 0.084 1.776 -3.956 1.00 0.14 C ATOM 532 O6 DG A 17 -0.215 2.061 -2.799 1.00 0.17 O ATOM 533 N1 DG A 17 -0.164 0.501 -4.448 1.00 0.09 N ATOM 534 C2 DG A 17 0.132 0.070 -5.726 1.00 0.06 C ATOM 535 N2 DG A 17 -0.184 -1.196 -6.010 1.00 0.08 N ATOM 536 N3 DG A 17 0.703 0.847 -6.658 1.00 0.06 N ATOM 537 C4 DG A 17 0.955 2.096 -6.199 1.00 0.08 C ATOM 0 H5' DG A 17 -0.880 1.659 -9.233 1.00 0.16 H new ATOM 0 H5'' DG A 17 -1.405 3.096 -10.087 1.00 0.16 H new ATOM 0 H4' DG A 17 0.814 3.163 -11.227 1.00 0.09 H new ATOM 0 H3' DG A 17 1.159 0.572 -10.207 1.00 0.07 H new ATOM 0 H2' DG A 17 1.955 0.962 -8.081 1.00 0.08 H new ATOM 0 H2'' DG A 17 3.401 1.564 -8.867 1.00 0.08 H new ATOM 0 H1' DG A 17 2.897 3.720 -8.353 1.00 0.08 H new ATOM 0 H8 DG A 17 1.972 5.112 -6.304 1.00 0.12 H new ATOM 0 H1 DG A 17 -0.599 -0.170 -3.815 1.00 0.09 H new ATOM 0 H21 DG A 17 0.009 -1.574 -6.937 1.00 0.08 H new ATOM 0 H22 DG A 17 -0.619 -1.785 -5.300 1.00 0.08 H new ATOM 549 P DG A 18 3.402 2.936 -11.559 1.00 0.06 P ATOM 550 OP1 DG A 18 2.438 3.805 -12.269 1.00 0.12 O ATOM 551 OP2 DG A 18 4.691 2.590 -12.198 1.00 0.09 O ATOM 552 O5' DG A 18 3.715 3.600 -10.123 1.00 0.07 O ATOM 553 C5' DG A 18 5.057 3.658 -9.621 1.00 0.10 C ATOM 554 C4' DG A 18 5.269 4.802 -8.636 1.00 0.10 C ATOM 555 O4' DG A 18 4.306 4.733 -7.557 1.00 0.13 O ATOM 556 C3' DG A 18 6.665 4.744 -8.021 1.00 0.13 C ATOM 557 O3' DG A 18 7.320 6.014 -8.111 1.00 0.14 O ATOM 558 C2' DG A 18 6.448 4.366 -6.590 1.00 0.16 C ATOM 559 C1' DG A 18 4.987 4.597 -6.289 1.00 0.10 C ATOM 560 N9 DG A 18 4.450 3.471 -5.517 1.00 0.09 N ATOM 561 C8 DG A 18 4.116 2.234 -5.940 1.00 0.08 C ATOM 562 N7 DG A 18 3.701 1.390 -5.056 1.00 0.08 N ATOM 563 C5 DG A 18 3.762 2.153 -3.885 1.00 0.09 C ATOM 564 C6 DG A 18 3.438 1.798 -2.549 1.00 0.10 C ATOM 565 O6 DG A 18 3.025 0.722 -2.124 1.00 0.14 O ATOM 566 N1 DG A 18 3.646 2.858 -1.676 1.00 0.10 N ATOM 567 C2 DG A 18 4.108 4.108 -2.038 1.00 0.11 C ATOM 568 N2 DG A 18 4.250 4.994 -1.050 1.00 0.12 N ATOM 569 N3 DG A 18 4.414 4.451 -3.293 1.00 0.10 N ATOM 570 C4 DG A 18 4.221 3.432 -4.162 1.00 0.09 C ATOM 0 H5' DG A 18 5.748 3.771 -10.456 1.00 0.10 H new ATOM 0 H5'' DG A 18 5.299 2.714 -9.132 1.00 0.10 H new ATOM 0 H4' DG A 18 5.147 5.731 -9.193 1.00 0.10 H new ATOM 0 H3' DG A 18 7.304 4.031 -8.542 1.00 0.13 H new ATOM 0 H2' DG A 18 6.716 3.323 -6.422 1.00 0.16 H new ATOM 0 H2'' DG A 18 7.077 4.967 -5.933 1.00 0.16 H new ATOM 0 H1' DG A 18 4.845 5.497 -5.690 1.00 0.10 H new ATOM 0 H8 DG A 18 4.193 1.960 -6.982 1.00 0.08 H new ATOM 0 H1 DG A 18 3.441 2.701 -0.689 1.00 0.10 H new ATOM 0 H21 DG A 18 4.587 5.935 -1.253 1.00 0.12 H new ATOM 0 H22 DG A 18 4.021 4.730 -0.092 1.00 0.12 H new ATOM 582 P DG A 19 6.670 7.325 -7.437 1.00 0.14 P ATOM 583 OP1 DG A 19 5.209 7.289 -7.665 1.00 0.19 O ATOM 584 OP2 DG A 19 7.453 8.503 -7.874 1.00 0.23 O ATOM 585 O5' DG A 19 6.939 7.102 -5.861 1.00 0.14 O ATOM 586 C5' DG A 19 6.576 8.128 -4.926 1.00 0.12 C ATOM 587 C4' DG A 19 7.340 8.043 -3.614 1.00 0.10 C ATOM 588 O4' DG A 19 6.726 7.107 -2.703 1.00 0.08 O ATOM 589 C3' DG A 19 8.776 7.596 -3.843 1.00 0.14 C ATOM 590 O3' DG A 19 9.693 8.682 -3.653 1.00 0.16 O ATOM 591 C2' DG A 19 9.017 6.499 -2.840 1.00 0.25 C ATOM 592 C1' DG A 19 7.756 6.377 -2.008 1.00 0.13 C ATOM 593 N9 DG A 19 7.368 4.967 -1.823 1.00 0.09 N ATOM 594 C8 DG A 19 7.064 4.026 -2.747 1.00 0.20 C ATOM 595 N7 DG A 19 6.734 2.853 -2.322 1.00 0.25 N ATOM 596 C5 DG A 19 6.824 3.015 -0.937 1.00 0.16 C ATOM 597 C6 DG A 19 6.582 2.081 0.107 1.00 0.21 C ATOM 598 O6 DG A 19 6.235 0.905 0.013 1.00 0.33 O ATOM 599 N1 DG A 19 6.788 2.649 1.359 1.00 0.15 N ATOM 600 C2 DG A 19 7.178 3.955 1.583 1.00 0.14 C ATOM 601 N2 DG A 19 7.324 4.318 2.856 1.00 0.24 N ATOM 602 N3 DG A 19 7.407 4.840 0.606 1.00 0.14 N ATOM 603 C4 DG A 19 7.212 4.309 -0.622 1.00 0.06 C ATOM 0 H5' DG A 19 5.507 8.062 -4.721 1.00 0.12 H new ATOM 0 H5'' DG A 19 6.754 9.103 -5.380 1.00 0.12 H new ATOM 0 H4' DG A 19 7.322 9.044 -3.183 1.00 0.10 H new ATOM 0 H3' DG A 19 8.931 7.249 -4.864 1.00 0.14 H new ATOM 0 H2' DG A 19 9.240 5.558 -3.343 1.00 0.25 H new ATOM 0 H2'' DG A 19 9.874 6.734 -2.209 1.00 0.25 H new ATOM 0 H1' DG A 19 7.917 6.784 -1.010 1.00 0.13 H new ATOM 0 H8 DG A 19 7.096 4.249 -3.803 1.00 0.20 H new ATOM 0 H1 DG A 19 6.640 2.056 2.175 1.00 0.15 H new ATOM 0 H21 DG A 19 7.610 5.270 3.085 1.00 0.24 H new ATOM 0 H22 DG A 19 7.150 3.644 3.602 1.00 0.24 H new ATOM 615 P DC A 20 9.789 9.448 -2.238 1.00 0.23 P ATOM 616 OP1 DC A 20 10.949 10.366 -2.286 1.00 0.42 O ATOM 617 OP2 DC A 20 9.689 8.444 -1.154 1.00 0.32 O ATOM 618 O5' DC A 20 8.446 10.336 -2.227 1.00 0.16 O ATOM 619 C5' DC A 20 8.046 11.032 -1.042 1.00 0.15 C ATOM 620 C4' DC A 20 7.213 12.270 -1.370 1.00 0.13 C ATOM 621 O4' DC A 20 7.970 13.187 -2.192 1.00 0.09 O ATOM 622 C3' DC A 20 5.939 11.895 -2.121 1.00 0.22 C ATOM 623 O3' DC A 20 4.779 12.276 -1.371 1.00 0.34 O ATOM 624 C2' DC A 20 5.998 12.637 -3.427 1.00 0.20 C ATOM 625 C1' DC A 20 7.262 13.474 -3.417 1.00 0.15 C ATOM 626 N1 DC A 20 8.106 13.162 -4.592 1.00 0.16 N ATOM 627 C2 DC A 20 8.286 14.158 -5.541 1.00 0.11 C ATOM 628 O2 DC A 20 7.755 15.255 -5.389 1.00 0.14 O ATOM 629 N3 DC A 20 9.058 13.883 -6.627 1.00 0.14 N ATOM 630 C4 DC A 20 9.630 12.681 -6.778 1.00 0.21 C ATOM 631 N4 DC A 20 10.380 12.444 -7.854 1.00 0.25 N ATOM 632 C5 DC A 20 9.447 11.651 -5.803 1.00 0.26 C ATOM 633 C6 DC A 20 8.681 11.932 -4.731 1.00 0.23 C ATOM 0 H5' DC A 20 8.930 11.327 -0.477 1.00 0.15 H new ATOM 0 H5'' DC A 20 7.469 10.363 -0.404 1.00 0.15 H new ATOM 0 H4' DC A 20 6.951 12.742 -0.423 1.00 0.13 H new ATOM 0 H3' DC A 20 5.870 10.819 -2.278 1.00 0.22 H new ATOM 0 H2' DC A 20 6.006 11.939 -4.265 1.00 0.20 H new ATOM 0 H2'' DC A 20 5.119 13.270 -3.548 1.00 0.20 H new ATOM 0 H1' DC A 20 7.012 14.534 -3.470 1.00 0.15 H new ATOM 0 H41 DC A 20 10.820 11.532 -7.978 1.00 0.25 H new ATOM 0 H42 DC A 20 10.514 13.175 -8.553 1.00 0.25 H new ATOM 0 H5 DC A 20 9.907 10.681 -5.922 1.00 0.26 H new ATOM 0 H6 DC A 20 8.521 11.178 -3.975 1.00 0.23 H new ATOM 645 P DG A 21 3.304 12.068 -1.984 1.00 0.14 P ATOM 646 OP1 DG A 21 3.298 12.596 -3.366 1.00 0.21 O ATOM 647 OP2 DG A 21 2.319 12.569 -0.998 1.00 0.11 O ATOM 648 O5' DG A 21 3.175 10.466 -2.054 1.00 0.23 O ATOM 649 C5' DG A 21 2.075 9.795 -1.424 1.00 0.14 C ATOM 650 C4' DG A 21 2.057 9.997 0.084 1.00 0.07 C ATOM 651 O4' DG A 21 0.939 9.294 0.676 1.00 0.19 O ATOM 652 C3' DG A 21 3.340 9.474 0.725 1.00 0.16 C ATOM 653 O3' DG A 21 3.982 10.500 1.489 1.00 0.10 O ATOM 654 C2' DG A 21 2.913 8.340 1.612 1.00 0.31 C ATOM 655 C1' DG A 21 1.403 8.380 1.691 1.00 0.25 C ATOM 656 N9 DG A 21 0.837 7.033 1.487 1.00 0.15 N ATOM 657 C8 DG A 21 0.293 6.176 2.388 1.00 0.15 C ATOM 658 N7 DG A 21 -0.110 5.031 1.953 1.00 0.10 N ATOM 659 C5 DG A 21 0.193 5.117 0.592 1.00 0.08 C ATOM 660 C6 DG A 21 -0.007 4.168 -0.446 1.00 0.15 C ATOM 661 O6 DG A 21 -0.497 3.042 -0.365 1.00 0.24 O ATOM 662 N1 DG A 21 0.438 4.652 -1.670 1.00 0.18 N ATOM 663 C2 DG A 21 1.007 5.896 -1.875 1.00 0.13 C ATOM 664 N2 DG A 21 1.368 6.185 -3.124 1.00 0.19 N ATOM 665 N3 DG A 21 1.200 6.792 -0.902 1.00 0.09 N ATOM 666 C4 DG A 21 0.772 6.342 0.299 1.00 0.08 C ATOM 0 H5' DG A 21 2.130 8.729 -1.644 1.00 0.14 H new ATOM 0 H5'' DG A 21 1.140 10.160 -1.848 1.00 0.14 H new ATOM 0 H4' DG A 21 1.968 11.068 0.265 1.00 0.07 H new ATOM 0 H3' DG A 21 4.061 9.150 -0.026 1.00 0.16 H new ATOM 0 H2' DG A 21 3.252 7.386 1.208 1.00 0.31 H new ATOM 0 H2'' DG A 21 3.353 8.440 2.604 1.00 0.31 H new ATOM 0 H1' DG A 21 1.080 8.717 2.676 1.00 0.25 H new ATOM 0 H8 DG A 21 0.201 6.443 3.430 1.00 0.15 H new ATOM 0 H1 DG A 21 0.337 4.042 -2.481 1.00 0.18 H new ATOM 0 H21 DG A 21 1.793 7.088 -3.336 1.00 0.19 H new ATOM 0 H22 DG A 21 1.220 5.504 -3.868 1.00 0.19 H new ATOM 678 P DG A 22 5.422 10.239 2.164 1.00 0.10 P ATOM 679 OP1 DG A 22 5.884 11.508 2.770 1.00 0.16 O ATOM 680 OP2 DG A 22 6.274 9.539 1.178 1.00 0.21 O ATOM 681 O5' DG A 22 5.077 9.209 3.353 1.00 0.09 O ATOM 682 C5' DG A 22 4.489 9.675 4.576 1.00 0.25 C ATOM 683 C4' DG A 22 4.425 8.589 5.640 1.00 0.21 C ATOM 684 O4' DG A 22 3.650 7.458 5.176 1.00 0.20 O ATOM 685 C3' DG A 22 5.822 8.089 6.001 1.00 0.16 C ATOM 686 O3' DG A 22 6.105 8.320 7.386 1.00 0.19 O ATOM 687 C2' DG A 22 5.819 6.618 5.699 1.00 0.12 C ATOM 688 C1' DG A 22 4.402 6.235 5.334 1.00 0.13 C ATOM 689 N9 DG A 22 4.381 5.441 4.094 1.00 0.14 N ATOM 690 C8 DG A 22 4.724 5.801 2.837 1.00 0.15 C ATOM 691 N7 DG A 22 4.618 4.912 1.906 1.00 0.16 N ATOM 692 C5 DG A 22 4.145 3.807 2.623 1.00 0.14 C ATOM 693 C6 DG A 22 3.824 2.496 2.173 1.00 0.13 C ATOM 694 O6 DG A 22 3.892 2.044 1.032 1.00 0.16 O ATOM 695 N1 DG A 22 3.385 1.691 3.216 1.00 0.10 N ATOM 696 C2 DG A 22 3.268 2.095 4.534 1.00 0.09 C ATOM 697 N2 DG A 22 2.830 1.182 5.397 1.00 0.12 N ATOM 698 N3 DG A 22 3.568 3.325 4.964 1.00 0.12 N ATOM 699 C4 DG A 22 3.998 4.125 3.965 1.00 0.12 C ATOM 0 H5' DG A 22 3.483 10.043 4.375 1.00 0.25 H new ATOM 0 H5'' DG A 22 5.067 10.518 4.955 1.00 0.25 H new ATOM 0 H4' DG A 22 3.953 9.031 6.517 1.00 0.21 H new ATOM 0 H3' DG A 22 6.591 8.614 5.435 1.00 0.16 H new ATOM 0 H2' DG A 22 6.501 6.393 4.879 1.00 0.12 H new ATOM 0 H2'' DG A 22 6.160 6.048 6.563 1.00 0.12 H new ATOM 0 H1' DG A 22 3.960 5.618 6.116 1.00 0.13 H new ATOM 0 H8 DG A 22 5.075 6.799 2.618 1.00 0.15 H new ATOM 0 H1 DG A 22 3.129 0.729 2.993 1.00 0.10 H new ATOM 0 H21 DG A 22 2.723 1.422 6.383 1.00 0.12 H new ATOM 0 H22 DG A 22 2.601 0.242 5.073 1.00 0.12 H new ATOM 711 P DG A 23 5.162 7.698 8.539 1.00 0.16 P ATOM 712 OP1 DG A 23 3.827 7.437 7.957 1.00 0.18 O ATOM 713 OP2 DG A 23 5.287 8.546 9.744 1.00 0.17 O ATOM 714 O5' DG A 23 5.858 6.278 8.851 1.00 0.22 O ATOM 715 C5' DG A 23 5.670 5.653 10.129 1.00 0.04 C ATOM 716 C4' DG A 23 6.305 4.271 10.214 1.00 0.06 C ATOM 717 O4' DG A 23 5.726 3.362 9.260 1.00 0.08 O ATOM 718 C3' DG A 23 7.798 4.324 9.929 1.00 0.13 C ATOM 719 O3' DG A 23 8.561 4.358 11.139 1.00 0.24 O ATOM 720 C2' DG A 23 8.090 3.087 9.130 1.00 0.24 C ATOM 721 C1' DG A 23 6.753 2.468 8.781 1.00 0.14 C ATOM 722 N9 DG A 23 6.633 2.246 7.326 1.00 0.12 N ATOM 723 C8 DG A 23 6.822 3.110 6.296 1.00 0.16 C ATOM 724 N7 DG A 23 6.661 2.658 5.100 1.00 0.17 N ATOM 725 C5 DG A 23 6.319 1.326 5.340 1.00 0.16 C ATOM 726 C6 DG A 23 6.013 0.288 4.420 1.00 0.21 C ATOM 727 O6 DG A 23 5.987 0.344 3.192 1.00 0.18 O ATOM 728 N1 DG A 23 5.723 -0.904 5.076 1.00 0.25 N ATOM 729 C2 DG A 23 5.725 -1.081 6.444 1.00 0.22 C ATOM 730 N2 DG A 23 5.419 -2.305 6.879 1.00 0.28 N ATOM 731 N3 DG A 23 6.012 -0.108 7.317 1.00 0.16 N ATOM 732 C4 DG A 23 6.298 1.063 6.702 1.00 0.12 C ATOM 0 H5' DG A 23 4.603 5.570 10.333 1.00 0.04 H new ATOM 0 H5'' DG A 23 6.094 6.290 10.905 1.00 0.04 H new ATOM 0 H4' DG A 23 6.123 3.923 11.231 1.00 0.06 H new ATOM 0 H3' DG A 23 8.073 5.229 9.387 1.00 0.13 H new ATOM 0 H2' DG A 23 8.650 3.333 8.228 1.00 0.24 H new ATOM 0 H2'' DG A 23 8.701 2.390 9.705 1.00 0.24 H new ATOM 0 HO3' DG A 23 9.516 4.390 10.923 1.00 0.24 H new ATOM 0 H1' DG A 23 6.652 1.490 9.252 1.00 0.14 H new ATOM 0 H8 DG A 23 7.097 4.139 6.473 1.00 0.16 H new ATOM 0 H1 DG A 23 5.490 -1.712 4.499 1.00 0.25 H new ATOM 0 H21 DG A 23 5.403 -2.501 7.880 1.00 0.28 H new ATOM 0 H22 DG A 23 5.201 -3.044 6.211 1.00 0.28 H new TER 745 DG A 23