USER MOD reduce.3.24.130724 H: found=0, std=0, add=257, rem=0, adj=4 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 13:sc= -0.251! USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.5 (180deg=-2.72) USER MOD Single : A 16 DT C7 :methyl -30:sc= -0.143 (180deg=-1.35) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.860 1.767 4.899 1.00 0.34 O ATOM 2 C5' DG A 1 -3.218 1.608 6.278 1.00 0.25 C ATOM 3 C4' DG A 1 -2.710 0.299 6.868 1.00 0.17 C ATOM 4 O4' DG A 1 -3.234 -0.834 6.138 1.00 0.21 O ATOM 5 C3' DG A 1 -1.185 0.221 6.821 1.00 0.15 C ATOM 6 O3' DG A 1 -0.596 0.442 8.116 1.00 0.13 O ATOM 7 C2' DG A 1 -0.870 -1.143 6.291 1.00 0.17 C ATOM 8 C1' DG A 1 -2.159 -1.719 5.744 1.00 0.20 C ATOM 9 N9 DG A 1 -2.084 -1.825 4.275 1.00 0.16 N ATOM 10 C8 DG A 1 -2.348 -2.878 3.465 1.00 0.15 C ATOM 11 N7 DG A 1 -2.192 -2.708 2.193 1.00 0.11 N ATOM 12 C5 DG A 1 -1.768 -1.376 2.134 1.00 0.11 C ATOM 13 C6 DG A 1 -1.423 -0.575 1.010 1.00 0.17 C ATOM 14 O6 DG A 1 -1.425 -0.885 -0.177 1.00 0.19 O ATOM 15 N1 DG A 1 -1.049 0.706 1.393 1.00 0.19 N ATOM 16 C2 DG A 1 -1.009 1.167 2.692 1.00 0.17 C ATOM 17 N2 DG A 1 -0.625 2.432 2.858 1.00 0.19 N ATOM 18 N3 DG A 1 -1.331 0.422 3.753 1.00 0.17 N ATOM 19 C4 DG A 1 -1.699 -0.831 3.405 1.00 0.14 C ATOM 0 H5' DG A 1 -4.303 1.649 6.375 1.00 0.25 H new ATOM 0 H5'' DG A 1 -2.815 2.442 6.853 1.00 0.25 H new ATOM 0 H4' DG A 1 -3.049 0.271 7.904 1.00 0.17 H new ATOM 0 H3' DG A 1 -0.767 1.001 6.185 1.00 0.15 H new ATOM 0 H2' DG A 1 -0.112 -1.087 5.510 1.00 0.17 H new ATOM 0 H2'' DG A 1 -0.468 -1.779 7.080 1.00 0.17 H new ATOM 0 HO5' DG A 1 -2.530 0.914 4.546 1.00 0.34 H new ATOM 0 H1' DG A 1 -2.332 -2.720 6.139 1.00 0.20 H new ATOM 0 H8 DG A 1 -2.677 -3.825 3.867 1.00 0.15 H new ATOM 0 H1 DG A 1 -0.783 1.358 0.655 1.00 0.19 H new ATOM 0 H21 DG A 1 -0.575 2.831 3.795 1.00 0.19 H new ATOM 0 H22 DG A 1 -0.381 3.001 2.048 1.00 0.19 H new ATOM 32 P DG A 2 -1.102 -0.346 9.429 1.00 0.10 P ATOM 33 OP1 DG A 2 -2.581 -0.386 9.413 1.00 0.12 O ATOM 34 OP2 DG A 2 -0.395 0.214 10.603 1.00 0.14 O ATOM 35 O5' DG A 2 -0.557 -1.836 9.181 1.00 0.15 O ATOM 36 C5' DG A 2 -1.467 -2.940 9.109 1.00 0.15 C ATOM 37 C4' DG A 2 -0.899 -4.095 8.303 1.00 0.14 C ATOM 38 O4' DG A 2 -0.632 -3.693 6.940 1.00 0.15 O ATOM 39 C3' DG A 2 0.408 -4.597 8.911 1.00 0.16 C ATOM 40 O3' DG A 2 0.226 -5.925 9.428 1.00 0.21 O ATOM 41 C2' DG A 2 1.420 -4.541 7.786 1.00 0.13 C ATOM 42 C1' DG A 2 0.658 -4.188 6.528 1.00 0.10 C ATOM 43 N9 DG A 2 1.384 -3.185 5.722 1.00 0.10 N ATOM 44 C8 DG A 2 1.955 -2.015 6.103 1.00 0.12 C ATOM 45 N7 DG A 2 2.515 -1.299 5.190 1.00 0.11 N ATOM 46 C5 DG A 2 2.301 -2.069 4.047 1.00 0.07 C ATOM 47 C6 DG A 2 2.681 -1.817 2.702 1.00 0.10 C ATOM 48 O6 DG A 2 3.273 -0.837 2.252 1.00 0.13 O ATOM 49 N1 DG A 2 2.278 -2.845 1.857 1.00 0.11 N ATOM 50 C2 DG A 2 1.590 -3.974 2.250 1.00 0.09 C ATOM 51 N2 DG A 2 1.297 -4.850 1.283 1.00 0.12 N ATOM 52 N3 DG A 2 1.225 -4.218 3.517 1.00 0.10 N ATOM 53 C4 DG A 2 1.611 -3.229 4.360 1.00 0.07 C ATOM 0 H5' DG A 2 -2.403 -2.609 8.658 1.00 0.15 H new ATOM 0 H5'' DG A 2 -1.702 -3.282 10.117 1.00 0.15 H new ATOM 0 H4' DG A 2 -1.645 -4.889 8.318 1.00 0.14 H new ATOM 0 H3' DG A 2 0.747 -3.995 9.754 1.00 0.16 H new ATOM 0 H2' DG A 2 2.188 -3.796 7.994 1.00 0.13 H new ATOM 0 H2'' DG A 2 1.927 -5.499 7.674 1.00 0.13 H new ATOM 0 H1' DG A 2 0.546 -5.066 5.892 1.00 0.10 H new ATOM 0 H8 DG A 2 1.941 -1.695 7.134 1.00 0.12 H new ATOM 0 H1 DG A 2 2.510 -2.757 0.868 1.00 0.11 H new ATOM 0 H21 DG A 2 0.789 -5.706 1.507 1.00 0.12 H new ATOM 0 H22 DG A 2 1.581 -4.662 0.322 1.00 0.12 H new ATOM 65 P DG A 3 1.423 -6.993 9.439 1.00 0.17 P ATOM 66 OP1 DG A 3 0.933 -8.238 10.072 1.00 0.18 O ATOM 67 OP2 DG A 3 2.639 -6.327 9.957 1.00 0.19 O ATOM 68 O5' DG A 3 1.626 -7.269 7.868 1.00 0.14 O ATOM 69 C5' DG A 3 2.726 -8.056 7.415 1.00 0.10 C ATOM 70 C4' DG A 3 2.516 -8.604 6.015 1.00 0.10 C ATOM 71 O4' DG A 3 2.327 -7.526 5.071 1.00 0.09 O ATOM 72 C3' DG A 3 3.727 -9.415 5.566 1.00 0.12 C ATOM 73 O3' DG A 3 3.317 -10.668 5.006 1.00 0.15 O ATOM 74 C2' DG A 3 4.402 -8.563 4.536 1.00 0.12 C ATOM 75 C1' DG A 3 3.394 -7.528 4.100 1.00 0.09 C ATOM 76 N9 DG A 3 4.020 -6.209 4.002 1.00 0.10 N ATOM 77 C8 DG A 3 4.453 -5.385 4.976 1.00 0.11 C ATOM 78 N7 DG A 3 4.963 -4.252 4.619 1.00 0.15 N ATOM 79 C5 DG A 3 4.860 -4.328 3.225 1.00 0.11 C ATOM 80 C6 DG A 3 5.247 -3.397 2.225 1.00 0.13 C ATOM 81 O6 DG A 3 5.760 -2.290 2.372 1.00 0.19 O ATOM 82 N1 DG A 3 4.967 -3.877 0.950 1.00 0.14 N ATOM 83 C2 DG A 3 4.387 -5.098 0.668 1.00 0.15 C ATOM 84 N2 DG A 3 4.206 -5.388 -0.617 1.00 0.17 N ATOM 85 N3 DG A 3 4.020 -5.972 1.602 1.00 0.14 N ATOM 86 C4 DG A 3 4.283 -5.528 2.846 1.00 0.11 C ATOM 0 H5' DG A 3 2.883 -8.885 8.105 1.00 0.10 H new ATOM 0 H5'' DG A 3 3.632 -7.450 7.432 1.00 0.10 H new ATOM 0 H4' DG A 3 1.631 -9.239 6.043 1.00 0.10 H new ATOM 0 H3' DG A 3 4.393 -9.654 6.395 1.00 0.12 H new ATOM 0 H2' DG A 3 5.291 -8.087 4.950 1.00 0.12 H new ATOM 0 H2'' DG A 3 4.729 -9.166 3.689 1.00 0.12 H new ATOM 0 H1' DG A 3 3.001 -7.767 3.112 1.00 0.09 H new ATOM 0 H8 DG A 3 4.377 -5.661 6.017 1.00 0.11 H new ATOM 0 H1 DG A 3 5.210 -3.279 0.160 1.00 0.14 H new ATOM 0 H21 DG A 3 3.782 -6.276 -0.885 1.00 0.17 H new ATOM 0 H22 DG A 3 4.491 -4.722 -1.335 1.00 0.17 H new ATOM 98 P DC A 4 4.409 -11.733 4.489 1.00 0.16 P ATOM 99 OP1 DC A 4 3.822 -13.087 4.602 1.00 0.15 O ATOM 100 OP2 DC A 4 5.698 -11.431 5.149 1.00 0.22 O ATOM 101 O5' DC A 4 4.547 -11.372 2.925 1.00 0.21 O ATOM 102 C5' DC A 4 5.362 -12.178 2.069 1.00 0.16 C ATOM 103 C4' DC A 4 5.498 -11.566 0.676 1.00 0.13 C ATOM 104 O4' DC A 4 4.216 -11.497 0.013 1.00 0.19 O ATOM 105 C3' DC A 4 6.070 -10.152 0.748 1.00 0.11 C ATOM 106 O3' DC A 4 7.329 -10.081 0.071 1.00 0.12 O ATOM 107 C2' DC A 4 5.052 -9.273 0.074 1.00 0.12 C ATOM 108 C1' DC A 4 4.036 -10.191 -0.572 1.00 0.14 C ATOM 109 N1 DC A 4 2.658 -9.701 -0.358 1.00 0.12 N ATOM 110 C2 DC A 4 1.990 -9.158 -1.447 1.00 0.06 C ATOM 111 O2 DC A 4 2.549 -9.087 -2.539 1.00 0.12 O ATOM 112 N3 DC A 4 0.716 -8.714 -1.267 1.00 0.04 N ATOM 113 C4 DC A 4 0.121 -8.798 -0.071 1.00 0.08 C ATOM 114 N4 DC A 4 -1.129 -8.356 0.071 1.00 0.12 N ATOM 115 C5 DC A 4 0.805 -9.356 1.055 1.00 0.13 C ATOM 116 C6 DC A 4 2.067 -9.791 0.866 1.00 0.14 C ATOM 0 H5' DC A 4 4.929 -13.175 1.988 1.00 0.16 H new ATOM 0 H5'' DC A 4 6.351 -12.295 2.513 1.00 0.16 H new ATOM 0 H4' DC A 4 6.174 -12.210 0.114 1.00 0.13 H new ATOM 0 H3' DC A 4 6.252 -9.842 1.777 1.00 0.11 H new ATOM 0 H2' DC A 4 4.572 -8.614 0.797 1.00 0.12 H new ATOM 0 H2'' DC A 4 5.526 -8.636 -0.672 1.00 0.12 H new ATOM 0 H1' DC A 4 4.187 -10.227 -1.651 1.00 0.14 H new ATOM 0 H41 DC A 4 -1.591 -8.416 0.978 1.00 0.12 H new ATOM 0 H42 DC A 4 -1.623 -7.958 -0.728 1.00 0.12 H new ATOM 0 H5 DC A 4 0.328 -9.426 2.021 1.00 0.13 H new ATOM 0 H6 DC A 4 2.615 -10.215 1.694 1.00 0.14 H new ATOM 128 P DG A 5 8.647 -9.565 0.840 1.00 0.13 P ATOM 129 OP1 DG A 5 9.796 -9.671 -0.086 1.00 0.15 O ATOM 130 OP2 DG A 5 8.701 -10.227 2.163 1.00 0.17 O ATOM 131 O5' DG A 5 8.328 -8.004 1.070 1.00 0.12 O ATOM 132 C5' DG A 5 8.256 -7.104 -0.044 1.00 0.11 C ATOM 133 C4' DG A 5 8.533 -5.666 0.359 1.00 0.07 C ATOM 134 O4' DG A 5 7.556 -5.208 1.320 1.00 0.11 O ATOM 135 C3' DG A 5 9.914 -5.542 0.983 1.00 0.09 C ATOM 136 O3' DG A 5 10.749 -4.675 0.209 1.00 0.15 O ATOM 137 C2' DG A 5 9.695 -4.986 2.362 1.00 0.11 C ATOM 138 C1' DG A 5 8.200 -4.814 2.549 1.00 0.11 C ATOM 139 N9 DG A 5 7.721 -5.636 3.674 1.00 0.11 N ATOM 140 C8 DG A 5 7.247 -6.904 3.674 1.00 0.12 C ATOM 141 N7 DG A 5 6.891 -7.412 4.806 1.00 0.09 N ATOM 142 C5 DG A 5 7.158 -6.358 5.686 1.00 0.05 C ATOM 143 C6 DG A 5 6.982 -6.281 7.094 1.00 0.08 C ATOM 144 O6 DG A 5 6.549 -7.142 7.856 1.00 0.15 O ATOM 145 N1 DG A 5 7.374 -5.043 7.589 1.00 0.09 N ATOM 146 C2 DG A 5 7.874 -4.005 6.829 1.00 0.07 C ATOM 147 N2 DG A 5 8.195 -2.892 7.490 1.00 0.13 N ATOM 148 N3 DG A 5 8.043 -4.069 5.505 1.00 0.09 N ATOM 149 C4 DG A 5 7.667 -5.265 5.000 1.00 0.08 C ATOM 0 H5' DG A 5 7.267 -7.168 -0.497 1.00 0.11 H new ATOM 0 H5'' DG A 5 8.975 -7.411 -0.804 1.00 0.11 H new ATOM 0 H4' DG A 5 8.478 -5.056 -0.543 1.00 0.07 H new ATOM 0 H3' DG A 5 10.421 -6.506 1.019 1.00 0.09 H new ATOM 0 H2' DG A 5 10.101 -5.660 3.116 1.00 0.11 H new ATOM 0 H2'' DG A 5 10.209 -4.032 2.477 1.00 0.11 H new ATOM 0 H1' DG A 5 7.964 -3.776 2.782 1.00 0.11 H new ATOM 0 H8 DG A 5 7.169 -7.471 2.758 1.00 0.12 H new ATOM 0 H1 DG A 5 7.285 -4.889 8.593 1.00 0.09 H new ATOM 0 H21 DG A 5 8.570 -2.089 6.985 1.00 0.13 H new ATOM 0 H22 DG A 5 8.066 -2.844 8.501 1.00 0.13 H new ATOM 161 P DC A 6 11.021 -4.981 -1.348 1.00 0.19 P ATOM 162 OP1 DC A 6 11.210 -6.439 -1.508 1.00 0.20 O ATOM 163 OP2 DC A 6 12.061 -4.043 -1.828 1.00 0.31 O ATOM 164 O5' DC A 6 9.619 -4.576 -2.032 1.00 0.17 O ATOM 165 C5' DC A 6 9.479 -4.548 -3.456 1.00 0.21 C ATOM 166 C4' DC A 6 9.688 -3.141 -4.017 1.00 0.21 C ATOM 167 O4' DC A 6 8.947 -2.161 -3.250 1.00 0.21 O ATOM 168 C3' DC A 6 11.161 -2.735 -3.980 1.00 0.25 C ATOM 169 O3' DC A 6 11.716 -2.672 -5.301 1.00 0.27 O ATOM 170 C2' DC A 6 11.188 -1.381 -3.322 1.00 0.21 C ATOM 171 C1' DC A 6 9.749 -0.970 -3.099 1.00 0.18 C ATOM 172 N1 DC A 6 9.568 -0.353 -1.762 1.00 0.20 N ATOM 173 C2 DC A 6 9.378 1.022 -1.716 1.00 0.30 C ATOM 174 O2 DC A 6 9.367 1.676 -2.757 1.00 0.35 O ATOM 175 N3 DC A 6 9.206 1.611 -0.502 1.00 0.35 N ATOM 176 C4 DC A 6 9.219 0.887 0.624 1.00 0.33 C ATOM 177 N4 DC A 6 9.048 1.498 1.796 1.00 0.41 N ATOM 178 C5 DC A 6 9.413 -0.528 0.586 1.00 0.25 C ATOM 179 C6 DC A 6 9.587 -1.105 -0.621 1.00 0.19 C ATOM 0 H5' DC A 6 8.487 -4.906 -3.731 1.00 0.21 H new ATOM 0 H5'' DC A 6 10.200 -5.230 -3.906 1.00 0.21 H new ATOM 0 H4' DC A 6 9.335 -3.166 -5.048 1.00 0.21 H new ATOM 0 H3' DC A 6 11.761 -3.463 -3.434 1.00 0.25 H new ATOM 0 H2' DC A 6 11.728 -1.422 -2.376 1.00 0.21 H new ATOM 0 H2'' DC A 6 11.703 -0.656 -3.952 1.00 0.21 H new ATOM 0 H1' DC A 6 9.445 -0.213 -3.821 1.00 0.18 H new ATOM 0 H41 DC A 6 9.056 0.956 2.660 1.00 0.41 H new ATOM 0 H42 DC A 6 8.909 2.508 1.829 1.00 0.41 H new ATOM 0 H5 DC A 6 9.420 -1.115 1.492 1.00 0.25 H new ATOM 0 H6 DC A 6 9.743 -2.172 -0.686 1.00 0.19 H new ATOM 191 P DG A 7 11.050 -1.742 -6.436 1.00 0.23 P ATOM 192 OP1 DG A 7 12.045 -1.541 -7.513 1.00 0.23 O ATOM 193 OP2 DG A 7 10.435 -0.569 -5.773 1.00 0.23 O ATOM 194 O5' DG A 7 9.868 -2.676 -7.006 1.00 0.31 O ATOM 195 C5' DG A 7 8.666 -2.092 -7.525 1.00 0.24 C ATOM 196 C4' DG A 7 7.604 -3.135 -7.846 1.00 0.22 C ATOM 197 O4' DG A 7 7.255 -3.890 -6.661 1.00 0.21 O ATOM 198 C3' DG A 7 6.329 -2.471 -8.360 1.00 0.21 C ATOM 199 O3' DG A 7 5.805 -3.173 -9.495 1.00 0.21 O ATOM 200 C2' DG A 7 5.374 -2.550 -7.212 1.00 0.19 C ATOM 201 C1' DG A 7 5.857 -3.698 -6.355 1.00 0.17 C ATOM 202 N9 DG A 7 5.658 -3.429 -4.921 1.00 0.14 N ATOM 203 C8 DG A 7 5.159 -4.239 -3.958 1.00 0.20 C ATOM 204 N7 DG A 7 5.103 -3.772 -2.759 1.00 0.26 N ATOM 205 C5 DG A 7 5.623 -2.487 -2.924 1.00 0.20 C ATOM 206 C6 DG A 7 5.826 -1.456 -1.966 1.00 0.26 C ATOM 207 O6 DG A 7 5.586 -1.478 -0.761 1.00 0.37 O ATOM 208 N1 DG A 7 6.369 -0.319 -2.551 1.00 0.16 N ATOM 209 C2 DG A 7 6.681 -0.185 -3.890 1.00 0.08 C ATOM 210 N2 DG A 7 7.185 0.990 -4.265 1.00 0.11 N ATOM 211 N3 DG A 7 6.495 -1.151 -4.794 1.00 0.12 N ATOM 212 C4 DG A 7 5.965 -2.268 -4.248 1.00 0.12 C ATOM 0 H5' DG A 7 8.900 -1.527 -8.427 1.00 0.24 H new ATOM 0 H5'' DG A 7 8.267 -1.383 -6.799 1.00 0.24 H new ATOM 0 H4' DG A 7 8.021 -3.793 -8.608 1.00 0.22 H new ATOM 0 H3' DG A 7 6.506 -1.447 -8.688 1.00 0.21 H new ATOM 0 H2' DG A 7 5.363 -1.618 -6.647 1.00 0.19 H new ATOM 0 H2'' DG A 7 4.356 -2.723 -7.561 1.00 0.19 H new ATOM 0 H1' DG A 7 5.285 -4.600 -6.572 1.00 0.17 H new ATOM 0 H8 DG A 7 4.821 -5.239 -4.186 1.00 0.20 H new ATOM 0 H1 DG A 7 6.552 0.480 -1.944 1.00 0.16 H new ATOM 0 H21 DG A 7 7.435 1.150 -5.241 1.00 0.11 H new ATOM 0 H22 DG A 7 7.321 1.730 -3.576 1.00 0.11 H new ATOM 224 P DG A 8 5.693 -4.784 -9.496 1.00 0.19 P ATOM 225 OP1 DG A 8 7.047 -5.340 -9.283 1.00 0.19 O ATOM 226 OP2 DG A 8 4.910 -5.190 -10.684 1.00 0.20 O ATOM 227 O5' DG A 8 4.809 -5.096 -8.182 1.00 0.20 O ATOM 228 C5' DG A 8 3.382 -5.213 -8.270 1.00 0.19 C ATOM 229 C4' DG A 8 2.821 -6.295 -7.356 1.00 0.16 C ATOM 230 O4' DG A 8 3.165 -6.057 -5.967 1.00 0.10 O ATOM 231 C3' DG A 8 1.299 -6.347 -7.448 1.00 0.16 C ATOM 232 O3' DG A 8 0.861 -7.610 -7.960 1.00 0.19 O ATOM 233 C2' DG A 8 0.818 -6.137 -6.041 1.00 0.12 C ATOM 234 C1' DG A 8 2.014 -6.351 -5.153 1.00 0.07 C ATOM 235 N9 DG A 8 1.946 -5.501 -3.951 1.00 0.09 N ATOM 236 C8 DG A 8 1.578 -5.828 -2.687 1.00 0.13 C ATOM 237 N7 DG A 8 1.628 -4.901 -1.786 1.00 0.16 N ATOM 238 C5 DG A 8 2.081 -3.807 -2.537 1.00 0.13 C ATOM 239 C6 DG A 8 2.345 -2.471 -2.133 1.00 0.14 C ATOM 240 O6 DG A 8 2.238 -1.978 -1.012 1.00 0.20 O ATOM 241 N1 DG A 8 2.781 -1.694 -3.201 1.00 0.11 N ATOM 242 C2 DG A 8 2.941 -2.144 -4.498 1.00 0.10 C ATOM 243 N2 DG A 8 3.349 -1.249 -5.393 1.00 0.10 N ATOM 244 N3 DG A 8 2.697 -3.398 -4.882 1.00 0.09 N ATOM 245 C4 DG A 8 2.273 -4.171 -3.862 1.00 0.10 C ATOM 0 H5' DG A 8 3.103 -5.434 -9.300 1.00 0.19 H new ATOM 0 H5'' DG A 8 2.927 -4.256 -8.014 1.00 0.19 H new ATOM 0 H4' DG A 8 3.260 -7.236 -7.689 1.00 0.16 H new ATOM 0 H3' DG A 8 0.904 -5.593 -8.129 1.00 0.16 H new ATOM 0 H2' DG A 8 0.413 -5.133 -5.914 1.00 0.12 H new ATOM 0 H2'' DG A 8 0.019 -6.837 -5.794 1.00 0.12 H new ATOM 0 H1' DG A 8 2.060 -7.373 -4.777 1.00 0.07 H new ATOM 0 H8 DG A 8 1.254 -6.829 -2.441 1.00 0.13 H new ATOM 0 H1 DG A 8 3.000 -0.716 -3.012 1.00 0.11 H new ATOM 0 H21 DG A 8 3.484 -1.525 -6.366 1.00 0.10 H new ATOM 0 H22 DG A 8 3.527 -0.286 -5.107 1.00 0.10 H new ATOM 257 P DG A 9 -0.583 -7.755 -8.659 1.00 0.19 P ATOM 258 OP1 DG A 9 -0.571 -8.975 -9.497 1.00 0.22 O ATOM 259 OP2 DG A 9 -0.937 -6.450 -9.261 1.00 0.21 O ATOM 260 O5' DG A 9 -1.559 -8.013 -7.406 1.00 0.18 O ATOM 261 C5' DG A 9 -1.624 -9.307 -6.789 1.00 0.15 C ATOM 262 C4' DG A 9 -2.349 -9.274 -5.451 1.00 0.07 C ATOM 263 O4' DG A 9 -1.695 -8.360 -4.542 1.00 0.10 O ATOM 264 C3' DG A 9 -3.798 -8.816 -5.618 1.00 0.18 C ATOM 265 O3' DG A 9 -4.725 -9.868 -5.305 1.00 0.28 O ATOM 266 C2' DG A 9 -3.964 -7.659 -4.675 1.00 0.13 C ATOM 267 C1' DG A 9 -2.679 -7.531 -3.892 1.00 0.10 C ATOM 268 N9 DG A 9 -2.250 -6.127 -3.835 1.00 0.10 N ATOM 269 C8 DG A 9 -2.000 -5.258 -4.842 1.00 0.12 C ATOM 270 N7 DG A 9 -1.645 -4.056 -4.521 1.00 0.14 N ATOM 271 C5 DG A 9 -1.660 -4.122 -3.122 1.00 0.14 C ATOM 272 C6 DG A 9 -1.366 -3.121 -2.159 1.00 0.18 C ATOM 273 O6 DG A 9 -1.023 -1.957 -2.349 1.00 0.20 O ATOM 274 N1 DG A 9 -1.509 -3.604 -0.864 1.00 0.19 N ATOM 275 C2 DG A 9 -1.887 -4.888 -0.531 1.00 0.16 C ATOM 276 N2 DG A 9 -1.985 -5.157 0.772 1.00 0.17 N ATOM 277 N3 DG A 9 -2.162 -5.834 -1.430 1.00 0.13 N ATOM 278 C4 DG A 9 -2.031 -5.387 -2.698 1.00 0.12 C ATOM 0 H5' DG A 9 -0.613 -9.688 -6.643 1.00 0.15 H new ATOM 0 H5'' DG A 9 -2.133 -10.001 -7.458 1.00 0.15 H new ATOM 0 H4' DG A 9 -2.328 -10.288 -5.051 1.00 0.07 H new ATOM 0 H3' DG A 9 -4.006 -8.533 -6.650 1.00 0.18 H new ATOM 0 H2' DG A 9 -4.172 -6.741 -5.225 1.00 0.13 H new ATOM 0 H2'' DG A 9 -4.807 -7.827 -4.005 1.00 0.13 H new ATOM 0 H1' DG A 9 -2.816 -7.859 -2.861 1.00 0.10 H new ATOM 0 H8 DG A 9 -2.093 -5.557 -5.876 1.00 0.12 H new ATOM 0 H1 DG A 9 -1.319 -2.957 -0.098 1.00 0.19 H new ATOM 0 H21 DG A 9 -2.260 -6.089 1.081 1.00 0.17 H new ATOM 0 H22 DG A 9 -1.784 -4.430 1.459 1.00 0.17 H new ATOM 290 P DA A 10 -4.689 -10.628 -3.882 1.00 0.32 P ATOM 291 OP1 DA A 10 -3.286 -11.005 -3.596 1.00 0.36 O ATOM 292 OP2 DA A 10 -5.743 -11.666 -3.886 1.00 0.44 O ATOM 293 O5' DA A 10 -5.121 -9.478 -2.839 1.00 0.24 O ATOM 294 C5' DA A 10 -6.491 -9.081 -2.696 1.00 0.21 C ATOM 295 C4' DA A 10 -6.662 -8.110 -1.527 1.00 0.14 C ATOM 296 O4' DA A 10 -5.637 -7.088 -1.555 1.00 0.13 O ATOM 297 C3' DA A 10 -8.023 -7.412 -1.569 1.00 0.09 C ATOM 298 O3' DA A 10 -8.788 -7.722 -0.396 1.00 0.07 O ATOM 299 C2' DA A 10 -7.709 -5.941 -1.636 1.00 0.08 C ATOM 300 C1' DA A 10 -6.235 -5.797 -1.333 1.00 0.09 C ATOM 301 N9 DA A 10 -5.611 -4.760 -2.181 1.00 0.07 N ATOM 302 C8 DA A 10 -5.534 -4.664 -3.531 1.00 0.09 C ATOM 303 N7 DA A 10 -4.948 -3.621 -4.024 1.00 0.10 N ATOM 304 C5 DA A 10 -4.581 -2.930 -2.863 1.00 0.09 C ATOM 305 C6 DA A 10 -3.910 -1.719 -2.643 1.00 0.11 C ATOM 306 N6 DA A 10 -3.499 -0.905 -3.613 1.00 0.15 N ATOM 307 N1 DA A 10 -3.715 -1.345 -1.369 1.00 0.08 N ATOM 308 C2 DA A 10 -4.150 -2.101 -0.367 1.00 0.07 C ATOM 309 N3 DA A 10 -4.795 -3.257 -0.454 1.00 0.08 N ATOM 310 C4 DA A 10 -4.980 -3.619 -1.739 1.00 0.06 C ATOM 0 H5' DA A 10 -7.113 -9.961 -2.536 1.00 0.21 H new ATOM 0 H5'' DA A 10 -6.835 -8.611 -3.617 1.00 0.21 H new ATOM 0 H4' DA A 10 -6.584 -8.702 -0.615 1.00 0.14 H new ATOM 0 H3' DA A 10 -8.623 -7.736 -2.420 1.00 0.09 H new ATOM 0 H2' DA A 10 -7.942 -5.540 -2.622 1.00 0.08 H new ATOM 0 H2'' DA A 10 -8.308 -5.384 -0.916 1.00 0.08 H new ATOM 0 H1' DA A 10 -6.082 -5.475 -0.303 1.00 0.09 H new ATOM 0 H8 DA A 10 -5.946 -5.430 -4.171 1.00 0.09 H new ATOM 0 H61 DA A 10 -3.016 -0.037 -3.380 1.00 0.15 H new ATOM 0 H62 DA A 10 -3.667 -1.149 -4.589 1.00 0.15 H new ATOM 0 H2 DA A 10 -3.957 -1.733 0.630 1.00 0.07 H new ATOM 322 P DG A 11 -10.182 -6.971 -0.099 1.00 0.14 P ATOM 323 OP1 DG A 11 -10.956 -7.791 0.860 1.00 0.20 O ATOM 324 OP2 DG A 11 -10.785 -6.584 -1.394 1.00 0.19 O ATOM 325 O5' DG A 11 -9.703 -5.628 0.655 1.00 0.24 O ATOM 326 C5' DG A 11 -10.339 -4.368 0.391 1.00 0.28 C ATOM 327 C4' DG A 11 -10.846 -3.692 1.660 1.00 0.20 C ATOM 328 O4' DG A 11 -11.994 -4.393 2.186 1.00 0.29 O ATOM 329 C3' DG A 11 -9.775 -3.646 2.752 1.00 0.23 C ATOM 330 O3' DG A 11 -9.377 -2.295 3.020 1.00 0.19 O ATOM 331 C2' DG A 11 -10.412 -4.258 3.969 1.00 0.28 C ATOM 332 C1' DG A 11 -11.838 -4.617 3.603 1.00 0.13 C ATOM 333 N9 DG A 11 -12.132 -6.021 3.948 1.00 0.19 N ATOM 334 C8 DG A 11 -11.665 -7.165 3.389 1.00 0.29 C ATOM 335 N7 DG A 11 -12.081 -8.284 3.881 1.00 0.35 N ATOM 336 C5 DG A 11 -12.936 -7.849 4.899 1.00 0.27 C ATOM 337 C6 DG A 11 -13.712 -8.601 5.821 1.00 0.30 C ATOM 338 O6 DG A 11 -13.800 -9.823 5.923 1.00 0.39 O ATOM 339 N1 DG A 11 -14.429 -7.776 6.677 1.00 0.25 N ATOM 340 C2 DG A 11 -14.408 -6.395 6.654 1.00 0.21 C ATOM 341 N2 DG A 11 -15.167 -5.779 7.560 1.00 0.24 N ATOM 342 N3 DG A 11 -13.680 -5.679 5.790 1.00 0.16 N ATOM 343 C4 DG A 11 -12.972 -6.463 4.946 1.00 0.19 C ATOM 0 H5' DG A 11 -11.174 -4.522 -0.293 1.00 0.28 H new ATOM 0 H5'' DG A 11 -9.633 -3.707 -0.112 1.00 0.28 H new ATOM 0 H4' DG A 11 -11.115 -2.673 1.382 1.00 0.20 H new ATOM 0 H3' DG A 11 -8.876 -4.183 2.451 1.00 0.23 H new ATOM 0 H2' DG A 11 -9.862 -5.145 4.285 1.00 0.28 H new ATOM 0 H2'' DG A 11 -10.395 -3.558 4.804 1.00 0.28 H new ATOM 0 H1' DG A 11 -12.539 -3.998 4.163 1.00 0.13 H new ATOM 0 H8 DG A 11 -10.970 -7.141 2.562 1.00 0.29 H new ATOM 0 H1 DG A 11 -15.018 -8.225 7.378 1.00 0.25 H new ATOM 0 H21 DG A 11 -15.195 -4.760 7.594 1.00 0.24 H new ATOM 0 H22 DG A 11 -15.720 -6.327 8.219 1.00 0.24 H new ATOM 355 P DG A 12 -8.406 -1.507 2.006 1.00 0.11 P ATOM 356 OP1 DG A 12 -9.161 -1.221 0.767 1.00 0.18 O ATOM 357 OP2 DG A 12 -7.120 -2.238 1.935 1.00 0.12 O ATOM 358 O5' DG A 12 -8.153 -0.113 2.775 1.00 0.09 O ATOM 359 C5' DG A 12 -7.671 -0.108 4.128 1.00 0.11 C ATOM 360 C4' DG A 12 -8.801 -0.027 5.145 1.00 0.08 C ATOM 361 O4' DG A 12 -8.289 -0.141 6.491 1.00 0.22 O ATOM 362 C3' DG A 12 -9.555 1.295 5.040 1.00 0.14 C ATOM 363 O3' DG A 12 -10.829 1.112 4.407 1.00 0.23 O ATOM 364 C2' DG A 12 -9.712 1.779 6.458 1.00 0.33 C ATOM 365 C1' DG A 12 -8.903 0.850 7.343 1.00 0.25 C ATOM 366 N9 DG A 12 -7.877 1.604 8.095 1.00 0.25 N ATOM 367 C8 DG A 12 -6.837 2.358 7.643 1.00 0.28 C ATOM 368 N7 DG A 12 -6.078 2.917 8.525 1.00 0.26 N ATOM 369 C5 DG A 12 -6.668 2.495 9.721 1.00 0.21 C ATOM 370 C6 DG A 12 -6.299 2.774 11.064 1.00 0.16 C ATOM 371 O6 DG A 12 -5.363 3.458 11.472 1.00 0.21 O ATOM 372 N1 DG A 12 -7.155 2.154 11.967 1.00 0.12 N ATOM 373 C2 DG A 12 -8.235 1.365 11.625 1.00 0.12 C ATOM 374 N2 DG A 12 -8.940 0.858 12.637 1.00 0.14 N ATOM 375 N3 DG A 12 -8.589 1.099 10.363 1.00 0.15 N ATOM 376 C4 DG A 12 -7.769 1.690 9.466 1.00 0.20 C ATOM 0 H5' DG A 12 -6.998 0.738 4.268 1.00 0.11 H new ATOM 0 H5'' DG A 12 -7.089 -1.012 4.307 1.00 0.11 H new ATOM 0 H4' DG A 12 -9.478 -0.853 4.926 1.00 0.08 H new ATOM 0 H3' DG A 12 -9.018 2.020 4.428 1.00 0.14 H new ATOM 0 H2' DG A 12 -9.360 2.806 6.555 1.00 0.33 H new ATOM 0 H2'' DG A 12 -10.762 1.773 6.752 1.00 0.33 H new ATOM 0 H1' DG A 12 -9.549 0.369 8.077 1.00 0.25 H new ATOM 0 H8 DG A 12 -6.654 2.484 6.586 1.00 0.28 H new ATOM 0 H1 DG A 12 -6.971 2.293 12.961 1.00 0.12 H new ATOM 0 H21 DG A 12 -9.750 0.267 12.449 1.00 0.14 H new ATOM 0 H22 DG A 12 -8.669 1.061 13.599 1.00 0.14 H new ATOM 388 P DA A 13 -11.987 2.226 4.538 1.00 0.10 P ATOM 389 OP1 DA A 13 -12.432 2.262 5.949 1.00 0.09 O ATOM 390 OP2 DA A 13 -12.973 1.996 3.460 1.00 0.12 O ATOM 391 O5' DA A 13 -11.203 3.597 4.220 1.00 0.21 O ATOM 392 C5' DA A 13 -11.451 4.310 3.005 1.00 0.16 C ATOM 393 C4' DA A 13 -10.805 5.694 3.020 1.00 0.16 C ATOM 394 O4' DA A 13 -11.324 6.489 4.112 1.00 0.21 O ATOM 395 C3' DA A 13 -9.295 5.581 3.189 1.00 0.19 C ATOM 396 O3' DA A 13 -8.611 6.258 2.128 1.00 0.16 O ATOM 397 C2' DA A 13 -8.981 6.214 4.512 1.00 0.25 C ATOM 398 C1' DA A 13 -10.274 6.779 5.059 1.00 0.22 C ATOM 399 N9 DA A 13 -10.584 6.198 6.377 1.00 0.18 N ATOM 400 C8 DA A 13 -9.836 6.176 7.503 1.00 0.21 C ATOM 401 N7 DA A 13 -10.321 5.563 8.532 1.00 0.18 N ATOM 402 C5 DA A 13 -11.549 5.112 8.036 1.00 0.15 C ATOM 403 C6 DA A 13 -12.591 4.376 8.609 1.00 0.18 C ATOM 404 N6 DA A 13 -12.567 3.940 9.869 1.00 0.20 N ATOM 405 N1 DA A 13 -13.658 4.107 7.836 1.00 0.21 N ATOM 406 C2 DA A 13 -13.702 4.535 6.573 1.00 0.21 C ATOM 407 N3 DA A 13 -12.774 5.237 5.930 1.00 0.18 N ATOM 408 C4 DA A 13 -11.716 5.494 6.724 1.00 0.15 C ATOM 0 H5' DA A 13 -12.526 4.412 2.856 1.00 0.16 H new ATOM 0 H5'' DA A 13 -11.065 3.737 2.162 1.00 0.16 H new ATOM 0 H4' DA A 13 -11.038 6.173 2.069 1.00 0.16 H new ATOM 0 H3' DA A 13 -8.969 4.542 3.156 1.00 0.19 H new ATOM 0 H2' DA A 13 -8.561 5.479 5.199 1.00 0.25 H new ATOM 0 H2'' DA A 13 -8.237 7.002 4.394 1.00 0.25 H new ATOM 0 H1' DA A 13 -10.181 7.856 5.196 1.00 0.22 H new ATOM 0 H8 DA A 13 -8.868 6.654 7.541 1.00 0.21 H new ATOM 0 H61 DA A 13 -13.354 3.407 10.239 1.00 0.20 H new ATOM 0 H62 DA A 13 -11.762 4.140 10.463 1.00 0.20 H new ATOM 0 H2 DA A 13 -14.589 4.283 6.011 1.00 0.21 H new ATOM 420 P DA A 14 -8.903 7.813 1.829 1.00 0.15 P ATOM 421 OP1 DA A 14 -8.983 8.526 3.124 1.00 0.23 O ATOM 422 OP2 DA A 14 -10.028 7.899 0.872 1.00 0.27 O ATOM 423 O5' DA A 14 -7.562 8.291 1.075 1.00 0.19 O ATOM 424 C5' DA A 14 -7.268 7.843 -0.253 1.00 0.17 C ATOM 425 C4' DA A 14 -6.103 6.860 -0.265 1.00 0.09 C ATOM 426 O4' DA A 14 -6.426 5.693 0.524 1.00 0.06 O ATOM 427 C3' DA A 14 -5.794 6.392 -1.684 1.00 0.07 C ATOM 428 O3' DA A 14 -4.387 6.449 -1.944 1.00 0.09 O ATOM 429 C2' DA A 14 -6.293 4.977 -1.753 1.00 0.06 C ATOM 430 C1' DA A 14 -6.596 4.542 -0.334 1.00 0.07 C ATOM 431 N9 DA A 14 -7.968 4.010 -0.234 1.00 0.09 N ATOM 432 C8 DA A 14 -8.392 2.788 0.168 1.00 0.08 C ATOM 433 N7 DA A 14 -9.664 2.564 0.154 1.00 0.08 N ATOM 434 C5 DA A 14 -10.159 3.786 -0.315 1.00 0.08 C ATOM 435 C6 DA A 14 -11.455 4.246 -0.574 1.00 0.07 C ATOM 436 N6 DA A 14 -12.545 3.500 -0.389 1.00 0.06 N ATOM 437 N1 DA A 14 -11.585 5.505 -1.029 1.00 0.12 N ATOM 438 C2 DA A 14 -10.507 6.268 -1.222 1.00 0.17 C ATOM 439 N3 DA A 14 -9.237 5.934 -1.009 1.00 0.18 N ATOM 440 C4 DA A 14 -9.133 4.670 -0.553 1.00 0.12 C ATOM 0 H5' DA A 14 -7.029 8.700 -0.883 1.00 0.17 H new ATOM 0 H5'' DA A 14 -8.151 7.368 -0.682 1.00 0.17 H new ATOM 0 H4' DA A 14 -5.238 7.377 0.150 1.00 0.09 H new ATOM 0 H3' DA A 14 -6.271 7.026 -2.432 1.00 0.07 H new ATOM 0 H2' DA A 14 -7.186 4.913 -2.374 1.00 0.06 H new ATOM 0 H2'' DA A 14 -5.544 4.326 -2.204 1.00 0.06 H new ATOM 0 H1' DA A 14 -5.919 3.744 -0.030 1.00 0.07 H new ATOM 0 H8 DA A 14 -7.693 2.030 0.488 1.00 0.08 H new ATOM 0 H61 DA A 14 -13.467 3.885 -0.594 1.00 0.06 H new ATOM 0 H62 DA A 14 -12.456 2.545 -0.043 1.00 0.06 H new ATOM 0 H2 DA A 14 -10.685 7.267 -1.592 1.00 0.17 H new ATOM 452 P DT A 15 -3.747 7.713 -2.708 1.00 0.21 P ATOM 453 OP1 DT A 15 -3.759 8.869 -1.783 1.00 0.37 O ATOM 454 OP2 DT A 15 -4.389 7.825 -4.037 1.00 0.35 O ATOM 455 O5' DT A 15 -2.217 7.258 -2.926 1.00 0.15 O ATOM 456 C5' DT A 15 -1.570 7.463 -4.185 1.00 0.14 C ATOM 457 C4' DT A 15 -1.677 6.228 -5.082 1.00 0.11 C ATOM 458 O4' DT A 15 -1.415 5.024 -4.324 1.00 0.12 O ATOM 459 C3' DT A 15 -3.067 6.108 -5.703 1.00 0.11 C ATOM 460 O3' DT A 15 -2.988 6.122 -7.134 1.00 0.14 O ATOM 461 C2' DT A 15 -3.616 4.799 -5.207 1.00 0.14 C ATOM 462 C1' DT A 15 -2.476 4.068 -4.529 1.00 0.11 C ATOM 463 N1 DT A 15 -2.920 3.490 -3.249 1.00 0.10 N ATOM 464 C2 DT A 15 -3.378 2.184 -3.255 1.00 0.11 C ATOM 465 O2 DT A 15 -3.414 1.502 -4.284 1.00 0.15 O ATOM 466 N3 DT A 15 -3.805 1.689 -2.036 1.00 0.08 N ATOM 467 C4 DT A 15 -3.813 2.375 -0.834 1.00 0.07 C ATOM 468 O4 DT A 15 -4.211 1.834 0.194 1.00 0.14 O ATOM 469 C5 DT A 15 -3.321 3.731 -0.929 1.00 0.07 C ATOM 470 C7 DT A 15 -3.314 4.617 0.311 1.00 0.10 C ATOM 471 C6 DT A 15 -2.896 4.235 -2.103 1.00 0.08 C ATOM 0 H5' DT A 15 -0.520 7.703 -4.020 1.00 0.14 H new ATOM 0 H5'' DT A 15 -2.018 8.319 -4.689 1.00 0.14 H new ATOM 0 H4' DT A 15 -0.936 6.345 -5.873 1.00 0.11 H new ATOM 0 H3' DT A 15 -3.708 6.944 -5.423 1.00 0.11 H new ATOM 0 H2' DT A 15 -4.437 4.965 -4.509 1.00 0.14 H new ATOM 0 H2'' DT A 15 -4.014 4.210 -6.033 1.00 0.14 H new ATOM 0 H1' DT A 15 -2.126 3.242 -5.147 1.00 0.11 H new ATOM 0 H3 DT A 15 -4.146 0.728 -2.022 1.00 0.08 H new ATOM 0 H71 DT A 15 -4.131 4.326 0.971 1.00 0.10 H new ATOM 0 H72 DT A 15 -2.366 4.501 0.836 1.00 0.10 H new ATOM 0 H73 DT A 15 -3.440 5.658 0.015 1.00 0.10 H new ATOM 0 H6 DT A 15 -2.528 5.250 -2.140 1.00 0.08 H new ATOM 484 P DT A 16 -2.367 4.870 -7.934 1.00 0.11 P ATOM 485 OP1 DT A 16 -1.196 4.372 -7.179 1.00 0.12 O ATOM 486 OP2 DT A 16 -2.220 5.255 -9.356 1.00 0.22 O ATOM 487 O5' DT A 16 -3.541 3.770 -7.828 1.00 0.21 O ATOM 488 C5' DT A 16 -3.231 2.376 -7.744 1.00 0.19 C ATOM 489 C4' DT A 16 -4.184 1.534 -8.592 1.00 0.06 C ATOM 490 O4' DT A 16 -5.542 1.635 -8.095 1.00 0.14 O ATOM 491 C3' DT A 16 -4.178 1.993 -10.047 1.00 0.12 C ATOM 492 O3' DT A 16 -3.813 0.913 -10.912 1.00 0.16 O ATOM 493 C2' DT A 16 -5.578 2.461 -10.337 1.00 0.19 C ATOM 494 C1' DT A 16 -6.430 2.124 -9.130 1.00 0.18 C ATOM 495 N1 DT A 16 -7.177 3.312 -8.663 1.00 0.17 N ATOM 496 C2 DT A 16 -8.531 3.369 -8.939 1.00 0.31 C ATOM 497 O2 DT A 16 -9.109 2.479 -9.560 1.00 0.48 O ATOM 498 N3 DT A 16 -9.200 4.487 -8.476 1.00 0.30 N ATOM 499 C4 DT A 16 -8.639 5.538 -7.771 1.00 0.16 C ATOM 500 O4 DT A 16 -9.329 6.487 -7.406 1.00 0.16 O ATOM 501 C5 DT A 16 -7.221 5.392 -7.529 1.00 0.08 C ATOM 502 C7 DT A 16 -6.476 6.474 -6.751 1.00 0.23 C ATOM 503 C6 DT A 16 -6.547 4.311 -7.973 1.00 0.08 C ATOM 0 H5' DT A 16 -3.286 2.053 -6.705 1.00 0.19 H new ATOM 0 H5'' DT A 16 -2.206 2.210 -8.075 1.00 0.19 H new ATOM 0 H4' DT A 16 -3.838 0.502 -8.529 1.00 0.06 H new ATOM 0 H3' DT A 16 -3.452 2.789 -10.214 1.00 0.12 H new ATOM 0 H2' DT A 16 -5.592 3.534 -10.528 1.00 0.19 H new ATOM 0 H2'' DT A 16 -5.968 1.973 -11.230 1.00 0.19 H new ATOM 0 H1' DT A 16 -7.169 1.365 -9.388 1.00 0.18 H new ATOM 0 H3 DT A 16 -10.199 4.542 -8.672 1.00 0.30 H new ATOM 0 H71 DT A 16 -6.955 7.438 -6.919 1.00 0.23 H new ATOM 0 H72 DT A 16 -6.499 6.238 -5.687 1.00 0.23 H new ATOM 0 H73 DT A 16 -5.441 6.519 -7.090 1.00 0.23 H new ATOM 0 H6 DT A 16 -5.487 4.233 -7.780 1.00 0.08 H new ATOM 516 P DG A 17 -2.266 0.530 -11.130 1.00 0.19 P ATOM 517 OP1 DG A 17 -1.677 1.499 -12.082 1.00 0.24 O ATOM 518 OP2 DG A 17 -2.181 -0.921 -11.408 1.00 0.15 O ATOM 519 O5' DG A 17 -1.629 0.803 -9.677 1.00 0.21 O ATOM 520 C5' DG A 17 -0.352 0.252 -9.329 1.00 0.19 C ATOM 521 C4' DG A 17 0.797 1.174 -9.700 1.00 0.16 C ATOM 522 O4' DG A 17 0.715 2.405 -8.948 1.00 0.15 O ATOM 523 C3' DG A 17 2.142 0.536 -9.379 1.00 0.15 C ATOM 524 O3' DG A 17 3.095 0.832 -10.405 1.00 0.16 O ATOM 525 C2' DG A 17 2.560 1.161 -8.092 1.00 0.15 C ATOM 526 C1' DG A 17 1.788 2.458 -7.979 1.00 0.15 C ATOM 527 N9 DG A 17 1.253 2.652 -6.616 1.00 0.16 N ATOM 528 C8 DG A 17 1.268 3.763 -5.844 1.00 0.21 C ATOM 529 N7 DG A 17 0.737 3.687 -4.672 1.00 0.22 N ATOM 530 C5 DG A 17 0.304 2.359 -4.639 1.00 0.15 C ATOM 531 C6 DG A 17 -0.365 1.650 -3.608 1.00 0.12 C ATOM 532 O6 DG A 17 -0.706 2.062 -2.502 1.00 0.18 O ATOM 533 N1 DG A 17 -0.624 0.335 -3.975 1.00 0.08 N ATOM 534 C2 DG A 17 -0.278 -0.233 -5.188 1.00 0.08 C ATOM 535 N2 DG A 17 -0.612 -1.514 -5.358 1.00 0.09 N ATOM 536 N3 DG A 17 0.354 0.430 -6.165 1.00 0.09 N ATOM 537 C4 DG A 17 0.615 1.715 -5.826 1.00 0.11 C ATOM 0 H5' DG A 17 -0.223 -0.706 -9.833 1.00 0.19 H new ATOM 0 H5'' DG A 17 -0.324 0.054 -8.257 1.00 0.19 H new ATOM 0 H4' DG A 17 0.720 1.365 -10.770 1.00 0.16 H new ATOM 0 H3' DG A 17 2.076 -0.550 -9.312 1.00 0.15 H new ATOM 0 H2' DG A 17 2.340 0.503 -7.251 1.00 0.15 H new ATOM 0 H2'' DG A 17 3.634 1.346 -8.080 1.00 0.15 H new ATOM 0 H1' DG A 17 2.447 3.304 -8.177 1.00 0.15 H new ATOM 0 H8 DG A 17 1.710 4.683 -6.198 1.00 0.21 H new ATOM 0 H1 DG A 17 -1.106 -0.257 -3.298 1.00 0.08 H new ATOM 0 H21 DG A 17 -0.384 -1.989 -6.231 1.00 0.09 H new ATOM 0 H22 DG A 17 -1.095 -2.018 -4.614 1.00 0.09 H new ATOM 549 P DG A 18 3.260 2.343 -10.945 1.00 0.07 P ATOM 550 OP1 DG A 18 1.962 2.783 -11.502 1.00 0.17 O ATOM 551 OP2 DG A 18 4.479 2.401 -11.784 1.00 0.09 O ATOM 552 O5' DG A 18 3.540 3.182 -9.595 1.00 0.10 O ATOM 553 C5' DG A 18 4.883 3.478 -9.193 1.00 0.09 C ATOM 554 C4' DG A 18 4.981 4.673 -8.250 1.00 0.08 C ATOM 555 O4' DG A 18 4.146 4.481 -7.084 1.00 0.10 O ATOM 556 C3' DG A 18 6.418 4.875 -7.771 1.00 0.09 C ATOM 557 O3' DG A 18 6.855 6.215 -8.014 1.00 0.08 O ATOM 558 C2' DG A 18 6.395 4.589 -6.300 1.00 0.10 C ATOM 559 C1' DG A 18 4.944 4.537 -5.880 1.00 0.07 C ATOM 560 N9 DG A 18 4.693 3.359 -5.039 1.00 0.07 N ATOM 561 C8 DG A 18 4.625 2.059 -5.394 1.00 0.10 C ATOM 562 N7 DG A 18 4.377 1.199 -4.468 1.00 0.16 N ATOM 563 C5 DG A 18 4.263 2.013 -3.342 1.00 0.15 C ATOM 564 C6 DG A 18 3.994 1.663 -1.995 1.00 0.22 C ATOM 565 O6 DG A 18 3.785 0.545 -1.527 1.00 0.28 O ATOM 566 N1 DG A 18 3.970 2.784 -1.174 1.00 0.19 N ATOM 567 C2 DG A 18 4.177 4.082 -1.595 1.00 0.14 C ATOM 568 N2 DG A 18 4.133 5.022 -0.651 1.00 0.15 N ATOM 569 N3 DG A 18 4.427 4.420 -2.865 1.00 0.11 N ATOM 570 C4 DG A 18 4.458 3.343 -3.682 1.00 0.09 C ATOM 0 H5' DG A 18 5.486 3.674 -10.080 1.00 0.09 H new ATOM 0 H5'' DG A 18 5.310 2.602 -8.704 1.00 0.09 H new ATOM 0 H4' DG A 18 4.647 5.547 -8.809 1.00 0.08 H new ATOM 0 H3' DG A 18 7.110 4.221 -8.301 1.00 0.09 H new ATOM 0 H2' DG A 18 6.893 3.644 -6.084 1.00 0.10 H new ATOM 0 H2'' DG A 18 6.928 5.364 -5.749 1.00 0.10 H new ATOM 0 H1' DG A 18 4.685 5.418 -5.292 1.00 0.07 H new ATOM 0 H8 DG A 18 4.773 1.751 -6.418 1.00 0.10 H new ATOM 0 H1 DG A 18 3.785 2.636 -0.182 1.00 0.19 H new ATOM 0 H21 DG A 18 4.278 6.001 -0.899 1.00 0.15 H new ATOM 0 H22 DG A 18 3.954 4.763 0.319 1.00 0.15 H new ATOM 582 P DG A 19 6.158 7.450 -7.254 1.00 0.10 P ATOM 583 OP1 DG A 19 4.690 7.260 -7.313 1.00 0.19 O ATOM 584 OP2 DG A 19 6.759 8.703 -7.762 1.00 0.09 O ATOM 585 O5' DG A 19 6.630 7.248 -5.725 1.00 0.16 O ATOM 586 C5' DG A 19 6.290 8.230 -4.737 1.00 0.17 C ATOM 587 C4' DG A 19 7.178 8.172 -3.503 1.00 0.11 C ATOM 588 O4' DG A 19 6.665 7.242 -2.527 1.00 0.15 O ATOM 589 C3' DG A 19 8.593 7.739 -3.862 1.00 0.10 C ATOM 590 O3' DG A 19 9.507 8.842 -3.794 1.00 0.06 O ATOM 591 C2' DG A 19 8.950 6.671 -2.860 1.00 0.14 C ATOM 592 C1' DG A 19 7.759 6.512 -1.935 1.00 0.12 C ATOM 593 N9 DG A 19 7.403 5.092 -1.757 1.00 0.15 N ATOM 594 C8 DG A 19 7.143 4.145 -2.688 1.00 0.16 C ATOM 595 N7 DG A 19 6.824 2.966 -2.271 1.00 0.13 N ATOM 596 C5 DG A 19 6.872 3.131 -0.883 1.00 0.10 C ATOM 597 C6 DG A 19 6.619 2.191 0.155 1.00 0.12 C ATOM 598 O6 DG A 19 6.299 1.009 0.051 1.00 0.17 O ATOM 599 N1 DG A 19 6.778 2.766 1.412 1.00 0.14 N ATOM 600 C2 DG A 19 7.138 4.081 1.643 1.00 0.13 C ATOM 601 N2 DG A 19 7.243 4.450 2.918 1.00 0.12 N ATOM 602 N3 DG A 19 7.378 4.967 0.671 1.00 0.11 N ATOM 603 C4 DG A 19 7.228 4.431 -0.560 1.00 0.11 C ATOM 0 H5' DG A 19 5.252 8.089 -4.436 1.00 0.17 H new ATOM 0 H5'' DG A 19 6.361 9.223 -5.181 1.00 0.17 H new ATOM 0 H4' DG A 19 7.189 9.179 -3.085 1.00 0.11 H new ATOM 0 H3' DG A 19 8.652 7.367 -4.885 1.00 0.10 H new ATOM 0 H2' DG A 19 9.175 5.731 -3.363 1.00 0.14 H new ATOM 0 H2'' DG A 19 9.840 6.953 -2.297 1.00 0.14 H new ATOM 0 H1' DG A 19 7.995 6.900 -0.944 1.00 0.12 H new ATOM 0 H8 DG A 19 7.200 4.368 -3.743 1.00 0.16 H new ATOM 0 H1 DG A 19 6.617 2.172 2.225 1.00 0.14 H new ATOM 0 H21 DG A 19 7.505 5.408 3.152 1.00 0.12 H new ATOM 0 H22 DG A 19 7.061 3.775 3.661 1.00 0.12 H new ATOM 615 P DC A 20 9.719 9.660 -2.421 1.00 0.09 P ATOM 616 OP1 DC A 20 11.089 10.219 -2.423 1.00 0.20 O ATOM 617 OP2 DC A 20 9.270 8.809 -1.296 1.00 0.21 O ATOM 618 O5' DC A 20 8.677 10.877 -2.578 1.00 0.10 O ATOM 619 C5' DC A 20 7.919 11.338 -1.457 1.00 0.12 C ATOM 620 C4' DC A 20 7.158 12.622 -1.786 1.00 0.10 C ATOM 621 O4' DC A 20 8.078 13.670 -2.168 1.00 0.09 O ATOM 622 C3' DC A 20 6.182 12.403 -2.938 1.00 0.13 C ATOM 623 O3' DC A 20 4.855 12.787 -2.561 1.00 0.07 O ATOM 624 C2' DC A 20 6.681 13.264 -4.064 1.00 0.18 C ATOM 625 C1' DC A 20 7.809 14.116 -3.514 1.00 0.11 C ATOM 626 N1 DC A 20 9.017 13.993 -4.357 1.00 0.10 N ATOM 627 C2 DC A 20 9.444 15.121 -5.044 1.00 0.09 C ATOM 628 O2 DC A 20 8.824 16.177 -4.938 1.00 0.13 O ATOM 629 N3 DC A 20 10.554 15.021 -5.825 1.00 0.07 N ATOM 630 C4 DC A 20 11.219 13.862 -5.930 1.00 0.07 C ATOM 631 N4 DC A 20 12.301 13.797 -6.705 1.00 0.12 N ATOM 632 C5 DC A 20 10.783 12.697 -5.224 1.00 0.09 C ATOM 633 C6 DC A 20 9.684 12.806 -4.453 1.00 0.10 C ATOM 0 H5' DC A 20 8.586 11.515 -0.613 1.00 0.12 H new ATOM 0 H5'' DC A 20 7.215 10.565 -1.150 1.00 0.12 H new ATOM 0 H4' DC A 20 6.607 12.910 -0.891 1.00 0.10 H new ATOM 0 H3' DC A 20 6.134 11.353 -3.225 1.00 0.13 H new ATOM 0 H2' DC A 20 7.033 12.648 -4.892 1.00 0.18 H new ATOM 0 H2'' DC A 20 5.879 13.892 -4.452 1.00 0.18 H new ATOM 0 H1' DC A 20 7.522 15.168 -3.514 1.00 0.11 H new ATOM 0 H41 DC A 20 12.814 12.920 -6.792 1.00 0.12 H new ATOM 0 H42 DC A 20 12.616 14.624 -7.211 1.00 0.12 H new ATOM 0 H5 DC A 20 11.317 11.762 -5.306 1.00 0.09 H new ATOM 0 H6 DC A 20 9.327 11.946 -3.906 1.00 0.10 H new ATOM 645 P DG A 21 4.106 12.059 -1.336 1.00 0.07 P ATOM 646 OP1 DG A 21 2.815 12.746 -1.108 1.00 0.24 O ATOM 647 OP2 DG A 21 5.071 11.915 -0.223 1.00 0.28 O ATOM 648 O5' DG A 21 3.799 10.594 -1.929 1.00 0.16 O ATOM 649 C5' DG A 21 2.639 9.863 -1.504 1.00 0.16 C ATOM 650 C4' DG A 21 2.417 9.951 0.000 1.00 0.07 C ATOM 651 O4' DG A 21 1.256 9.182 0.391 1.00 0.13 O ATOM 652 C3' DG A 21 3.621 9.412 0.768 1.00 0.13 C ATOM 653 O3' DG A 21 4.234 10.447 1.545 1.00 0.18 O ATOM 654 C2' DG A 21 3.080 8.327 1.657 1.00 0.28 C ATOM 655 C1' DG A 21 1.572 8.366 1.536 1.00 0.15 C ATOM 656 N9 DG A 21 1.022 7.005 1.390 1.00 0.10 N ATOM 657 C8 DG A 21 0.565 6.155 2.341 1.00 0.13 C ATOM 658 N7 DG A 21 0.141 5.000 1.957 1.00 0.21 N ATOM 659 C5 DG A 21 0.331 5.071 0.575 1.00 0.18 C ATOM 660 C6 DG A 21 0.056 4.105 -0.430 1.00 0.26 C ATOM 661 O6 DG A 21 -0.414 2.978 -0.294 1.00 0.31 O ATOM 662 N1 DG A 21 0.393 4.573 -1.694 1.00 0.22 N ATOM 663 C2 DG A 21 0.930 5.820 -1.963 1.00 0.13 C ATOM 664 N2 DG A 21 1.190 6.090 -3.241 1.00 0.13 N ATOM 665 N3 DG A 21 1.193 6.733 -1.020 1.00 0.09 N ATOM 666 C4 DG A 21 0.871 6.297 0.218 1.00 0.09 C ATOM 0 H5' DG A 21 2.746 8.817 -1.792 1.00 0.16 H new ATOM 0 H5'' DG A 21 1.760 10.248 -2.022 1.00 0.16 H new ATOM 0 H4' DG A 21 2.270 11.004 0.239 1.00 0.07 H new ATOM 0 H3' DG A 21 4.390 9.034 0.095 1.00 0.13 H new ATOM 0 H2' DG A 21 3.466 7.353 1.355 1.00 0.28 H new ATOM 0 H2'' DG A 21 3.388 8.486 2.690 1.00 0.28 H new ATOM 0 H1' DG A 21 1.125 8.789 2.436 1.00 0.15 H new ATOM 0 H8 DG A 21 0.556 6.435 3.384 1.00 0.13 H new ATOM 0 H1 DG A 21 0.232 3.949 -2.485 1.00 0.22 H new ATOM 0 H21 DG A 21 1.587 6.993 -3.501 1.00 0.13 H new ATOM 0 H22 DG A 21 0.993 5.394 -3.960 1.00 0.13 H new ATOM 678 P DG A 22 5.642 10.192 2.283 1.00 0.23 P ATOM 679 OP1 DG A 22 6.104 11.476 2.855 1.00 0.32 O ATOM 680 OP2 DG A 22 6.518 9.438 1.359 1.00 0.28 O ATOM 681 O5' DG A 22 5.235 9.217 3.499 1.00 0.26 O ATOM 682 C5' DG A 22 4.598 9.742 4.673 1.00 0.19 C ATOM 683 C4' DG A 22 4.452 8.695 5.769 1.00 0.14 C ATOM 684 O4' DG A 22 3.657 7.578 5.307 1.00 0.13 O ATOM 685 C3' DG A 22 5.815 8.159 6.203 1.00 0.12 C ATOM 686 O3' DG A 22 6.013 8.355 7.610 1.00 0.10 O ATOM 687 C2' DG A 22 5.794 6.695 5.865 1.00 0.12 C ATOM 688 C1' DG A 22 4.365 6.340 5.526 1.00 0.09 C ATOM 689 N9 DG A 22 4.309 5.475 4.336 1.00 0.07 N ATOM 690 C8 DG A 22 4.685 5.732 3.061 1.00 0.10 C ATOM 691 N7 DG A 22 4.539 4.787 2.192 1.00 0.14 N ATOM 692 C5 DG A 22 3.998 3.761 2.976 1.00 0.12 C ATOM 693 C6 DG A 22 3.609 2.443 2.613 1.00 0.13 C ATOM 694 O6 DG A 22 3.664 1.908 1.509 1.00 0.14 O ATOM 695 N1 DG A 22 3.115 1.738 3.705 1.00 0.11 N ATOM 696 C2 DG A 22 3.007 2.239 4.990 1.00 0.09 C ATOM 697 N2 DG A 22 2.506 1.416 5.908 1.00 0.13 N ATOM 698 N3 DG A 22 3.371 3.475 5.336 1.00 0.07 N ATOM 699 C4 DG A 22 3.855 4.179 4.290 1.00 0.08 C ATOM 0 H5' DG A 22 3.613 10.127 4.408 1.00 0.19 H new ATOM 0 H5'' DG A 22 5.178 10.584 5.052 1.00 0.19 H new ATOM 0 H4' DG A 22 3.962 9.181 6.612 1.00 0.14 H new ATOM 0 H3' DG A 22 6.632 8.677 5.701 1.00 0.12 H new ATOM 0 H2' DG A 22 6.454 6.484 5.023 1.00 0.12 H new ATOM 0 H2'' DG A 22 6.150 6.100 6.706 1.00 0.12 H new ATOM 0 H1' DG A 22 3.904 5.781 6.340 1.00 0.09 H new ATOM 0 H8 DG A 22 5.092 6.692 2.780 1.00 0.10 H new ATOM 0 H1 DG A 22 2.809 0.778 3.546 1.00 0.11 H new ATOM 0 H21 DG A 22 2.403 1.730 6.873 1.00 0.13 H new ATOM 0 H22 DG A 22 2.225 0.471 5.647 1.00 0.13 H new ATOM 711 P DG A 23 7.310 7.751 8.349 1.00 0.10 P ATOM 712 OP1 DG A 23 7.451 8.424 9.660 1.00 0.11 O ATOM 713 OP2 DG A 23 8.436 7.761 7.389 1.00 0.17 O ATOM 714 O5' DG A 23 6.886 6.219 8.612 1.00 0.15 O ATOM 715 C5' DG A 23 6.102 5.869 9.764 1.00 0.10 C ATOM 716 C4' DG A 23 6.102 4.369 10.039 1.00 0.12 C ATOM 717 O4' DG A 23 5.469 3.643 8.965 1.00 0.23 O ATOM 718 C3' DG A 23 7.524 3.833 10.186 1.00 0.20 C ATOM 719 O3' DG A 23 7.756 3.355 11.515 1.00 0.27 O ATOM 720 C2' DG A 23 7.641 2.722 9.186 1.00 0.29 C ATOM 721 C1' DG A 23 6.255 2.477 8.649 1.00 0.23 C ATOM 722 N9 DG A 23 6.285 2.228 7.196 1.00 0.18 N ATOM 723 C8 DG A 23 6.629 3.062 6.185 1.00 0.16 C ATOM 724 N7 DG A 23 6.575 2.601 4.983 1.00 0.16 N ATOM 725 C5 DG A 23 6.141 1.292 5.199 1.00 0.14 C ATOM 726 C6 DG A 23 5.884 0.257 4.261 1.00 0.14 C ATOM 727 O6 DG A 23 5.992 0.299 3.034 1.00 0.18 O ATOM 728 N1 DG A 23 5.465 -0.912 4.893 1.00 0.15 N ATOM 729 C2 DG A 23 5.311 -1.064 6.257 1.00 0.20 C ATOM 730 N2 DG A 23 4.901 -2.262 6.674 1.00 0.27 N ATOM 731 N3 DG A 23 5.551 -0.092 7.145 1.00 0.21 N ATOM 732 C4 DG A 23 5.960 1.052 6.553 1.00 0.16 C ATOM 0 H5' DG A 23 5.076 6.208 9.618 1.00 0.10 H new ATOM 0 H5'' DG A 23 6.490 6.395 10.636 1.00 0.10 H new ATOM 0 H4' DG A 23 5.550 4.224 10.968 1.00 0.12 H new ATOM 0 H3' DG A 23 8.267 4.611 10.008 1.00 0.20 H new ATOM 0 H2' DG A 23 8.325 2.995 8.382 1.00 0.29 H new ATOM 0 H2'' DG A 23 8.040 1.821 9.653 1.00 0.29 H new ATOM 0 HO3' DG A 23 8.672 3.015 11.585 1.00 0.27 H new ATOM 0 H1' DG A 23 5.817 1.588 9.103 1.00 0.23 H new ATOM 0 H8 DG A 23 6.938 4.078 6.380 1.00 0.16 H new ATOM 0 H1 DG A 23 5.256 -1.717 4.303 1.00 0.15 H new ATOM 0 H21 DG A 23 4.768 -2.437 7.670 1.00 0.27 H new ATOM 0 H22 DG A 23 4.720 -3.003 5.997 1.00 0.27 H new TER 745 DG A 23