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 13:sc= 0.261! USER MOD Single : A 15 DT C7 :methyl -30:sc= -1.01 (180deg=-1.7!) USER MOD Single : A 16 DT C7 :methyl 150:sc= -12.8! (180deg=-12.8!) USER MOD Single : A 23 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -2.594 1.919 5.910 1.00 0.29 O ATOM 2 C5' DG A 1 -3.371 1.560 7.060 1.00 0.13 C ATOM 3 C4' DG A 1 -3.249 0.083 7.409 1.00 0.15 C ATOM 4 O4' DG A 1 -3.728 -0.743 6.324 1.00 0.16 O ATOM 5 C3' DG A 1 -1.799 -0.300 7.692 1.00 0.15 C ATOM 6 O3' DG A 1 -1.633 -0.651 9.070 1.00 0.15 O ATOM 7 C2' DG A 1 -1.504 -1.469 6.794 1.00 0.18 C ATOM 8 C1' DG A 1 -2.774 -1.785 6.030 1.00 0.18 C ATOM 9 N9 DG A 1 -2.509 -1.858 4.582 1.00 0.15 N ATOM 10 C8 DG A 1 -2.571 -2.921 3.744 1.00 0.13 C ATOM 11 N7 DG A 1 -2.285 -2.719 2.502 1.00 0.09 N ATOM 12 C5 DG A 1 -1.992 -1.353 2.493 1.00 0.08 C ATOM 13 C6 DG A 1 -1.602 -0.512 1.417 1.00 0.16 C ATOM 14 O6 DG A 1 -1.435 -0.812 0.237 1.00 0.27 O ATOM 15 N1 DG A 1 -1.406 0.797 1.839 1.00 0.17 N ATOM 16 C2 DG A 1 -1.565 1.247 3.135 1.00 0.10 C ATOM 17 N2 DG A 1 -1.331 2.540 3.346 1.00 0.14 N ATOM 18 N3 DG A 1 -1.931 0.461 4.152 1.00 0.09 N ATOM 19 C4 DG A 1 -2.127 -0.818 3.766 1.00 0.07 C ATOM 0 H5' DG A 1 -4.418 1.801 6.877 1.00 0.13 H new ATOM 0 H5'' DG A 1 -3.050 2.159 7.912 1.00 0.13 H new ATOM 0 H4' DG A 1 -3.853 -0.083 8.301 1.00 0.15 H new ATOM 0 H3' DG A 1 -1.116 0.527 7.499 1.00 0.15 H new ATOM 0 H2' DG A 1 -0.692 -1.230 6.107 1.00 0.18 H new ATOM 0 H2'' DG A 1 -1.183 -2.331 7.379 1.00 0.18 H new ATOM 0 HO5' DG A 1 -2.301 1.107 5.447 1.00 0.29 H new ATOM 0 H1' DG A 1 -3.167 -2.756 6.332 1.00 0.18 H new ATOM 0 H8 DG A 1 -2.849 -3.901 4.102 1.00 0.13 H new ATOM 0 H1 DG A 1 -1.122 1.480 1.136 1.00 0.17 H new ATOM 0 H21 DG A 1 -1.432 2.930 4.283 1.00 0.14 H new ATOM 0 H22 DG A 1 -1.051 3.141 2.571 1.00 0.14 H new ATOM 32 P DG A 2 -0.181 -0.599 9.765 1.00 0.16 P ATOM 33 OP1 DG A 2 -0.370 -0.508 11.229 1.00 0.23 O ATOM 34 OP2 DG A 2 0.634 0.417 9.060 1.00 0.19 O ATOM 35 O5' DG A 2 0.418 -2.052 9.422 1.00 0.24 O ATOM 36 C5' DG A 2 -0.358 -3.230 9.675 1.00 0.21 C ATOM 37 C4' DG A 2 -0.077 -4.331 8.664 1.00 0.19 C ATOM 38 O4' DG A 2 -0.246 -3.845 7.312 1.00 0.22 O ATOM 39 C3' DG A 2 1.350 -4.850 8.801 1.00 0.15 C ATOM 40 O3' DG A 2 1.358 -6.192 9.299 1.00 0.18 O ATOM 41 C2' DG A 2 1.940 -4.778 7.417 1.00 0.12 C ATOM 42 C1' DG A 2 0.846 -4.305 6.488 1.00 0.14 C ATOM 43 N9 DG A 2 1.353 -3.234 5.619 1.00 0.11 N ATOM 44 C8 DG A 2 1.782 -2.001 5.956 1.00 0.14 C ATOM 45 N7 DG A 2 2.227 -1.244 5.015 1.00 0.15 N ATOM 46 C5 DG A 2 2.086 -2.066 3.896 1.00 0.11 C ATOM 47 C6 DG A 2 2.406 -1.809 2.540 1.00 0.11 C ATOM 48 O6 DG A 2 2.871 -0.777 2.054 1.00 0.16 O ATOM 49 N1 DG A 2 2.115 -2.903 1.731 1.00 0.09 N ATOM 50 C2 DG A 2 1.577 -4.096 2.170 1.00 0.09 C ATOM 51 N2 DG A 2 1.367 -5.023 1.232 1.00 0.14 N ATOM 52 N3 DG A 2 1.269 -4.345 3.449 1.00 0.09 N ATOM 53 C4 DG A 2 1.550 -3.292 4.256 1.00 0.10 C ATOM 0 H5' DG A 2 -1.418 -2.977 9.649 1.00 0.21 H new ATOM 0 H5'' DG A 2 -0.142 -3.597 10.678 1.00 0.21 H new ATOM 0 H4' DG A 2 -0.786 -5.135 8.865 1.00 0.19 H new ATOM 0 H3' DG A 2 1.929 -4.260 9.511 1.00 0.15 H new ATOM 0 H2' DG A 2 2.787 -4.092 7.395 1.00 0.12 H new ATOM 0 H2'' DG A 2 2.313 -5.754 7.107 1.00 0.12 H new ATOM 0 H1' DG A 2 0.504 -5.110 5.837 1.00 0.14 H new ATOM 0 H8 DG A 2 1.753 -1.660 6.980 1.00 0.14 H new ATOM 0 H1 DG A 2 2.315 -2.817 0.735 1.00 0.09 H new ATOM 0 H21 DG A 2 0.972 -5.928 1.488 1.00 0.14 H new ATOM 0 H22 DG A 2 1.602 -4.826 0.259 1.00 0.14 H new ATOM 65 P DG A 3 2.728 -7.031 9.367 1.00 0.05 P ATOM 66 OP1 DG A 3 2.509 -8.212 10.231 1.00 0.12 O ATOM 67 OP2 DG A 3 3.834 -6.093 9.664 1.00 0.12 O ATOM 68 O5' DG A 3 2.891 -7.539 7.850 1.00 0.21 O ATOM 69 C5' DG A 3 1.922 -8.427 7.278 1.00 0.16 C ATOM 70 C4' DG A 3 2.216 -8.747 5.821 1.00 0.15 C ATOM 71 O4' DG A 3 2.170 -7.554 5.002 1.00 0.15 O ATOM 72 C3' DG A 3 3.603 -9.364 5.667 1.00 0.14 C ATOM 73 O3' DG A 3 3.517 -10.761 5.354 1.00 0.14 O ATOM 74 C2' DG A 3 4.261 -8.593 4.554 1.00 0.15 C ATOM 75 C1' DG A 3 3.257 -7.578 4.054 1.00 0.07 C ATOM 76 N9 DG A 3 3.885 -6.258 3.923 1.00 0.09 N ATOM 77 C8 DG A 3 4.314 -5.409 4.877 1.00 0.14 C ATOM 78 N7 DG A 3 4.845 -4.294 4.495 1.00 0.17 N ATOM 79 C5 DG A 3 4.767 -4.410 3.102 1.00 0.14 C ATOM 80 C6 DG A 3 5.187 -3.512 2.085 1.00 0.17 C ATOM 81 O6 DG A 3 5.719 -2.411 2.210 1.00 0.24 O ATOM 82 N1 DG A 3 4.925 -4.020 0.818 1.00 0.15 N ATOM 83 C2 DG A 3 4.331 -5.241 0.558 1.00 0.12 C ATOM 84 N2 DG A 3 4.170 -5.562 -0.722 1.00 0.16 N ATOM 85 N3 DG A 3 3.933 -6.086 1.509 1.00 0.10 N ATOM 86 C4 DG A 3 4.179 -5.613 2.748 1.00 0.10 C ATOM 0 H5' DG A 3 0.932 -7.978 7.356 1.00 0.16 H new ATOM 0 H5'' DG A 3 1.898 -9.353 7.853 1.00 0.16 H new ATOM 0 H4' DG A 3 1.451 -9.452 5.495 1.00 0.15 H new ATOM 0 H3' DG A 3 4.177 -9.302 6.592 1.00 0.14 H new ATOM 0 H2' DG A 3 5.163 -8.097 4.912 1.00 0.15 H new ATOM 0 H2'' DG A 3 4.563 -9.263 3.749 1.00 0.15 H new ATOM 0 H1' DG A 3 2.885 -7.848 3.066 1.00 0.07 H new ATOM 0 H8 DG A 3 4.218 -5.652 5.925 1.00 0.14 H new ATOM 0 H1 DG A 3 5.192 -3.447 0.017 1.00 0.15 H new ATOM 0 H21 DG A 3 3.737 -6.451 -0.974 1.00 0.16 H new ATOM 0 H22 DG A 3 4.479 -4.920 -1.452 1.00 0.16 H new ATOM 98 P DC A 4 2.751 -11.268 4.032 1.00 0.15 P ATOM 99 OP1 DC A 4 1.533 -10.446 3.856 1.00 0.30 O ATOM 100 OP2 DC A 4 2.642 -12.743 4.097 1.00 0.24 O ATOM 101 O5' DC A 4 3.786 -10.892 2.860 1.00 0.18 O ATOM 102 C5' DC A 4 4.713 -11.863 2.366 1.00 0.09 C ATOM 103 C4' DC A 4 5.159 -11.522 0.947 1.00 0.08 C ATOM 104 O4' DC A 4 4.023 -11.499 0.051 1.00 0.08 O ATOM 105 C3' DC A 4 5.826 -10.150 0.902 1.00 0.10 C ATOM 106 O3' DC A 4 7.125 -10.235 0.307 1.00 0.15 O ATOM 107 C2' DC A 4 4.917 -9.291 0.072 1.00 0.13 C ATOM 108 C1' DC A 4 3.928 -10.216 -0.605 1.00 0.09 C ATOM 109 N1 DC A 4 2.554 -9.676 -0.520 1.00 0.11 N ATOM 110 C2 DC A 4 2.019 -9.097 -1.660 1.00 0.18 C ATOM 111 O2 DC A 4 2.681 -9.051 -2.695 1.00 0.20 O ATOM 112 N3 DC A 4 0.758 -8.588 -1.597 1.00 0.24 N ATOM 113 C4 DC A 4 0.050 -8.646 -0.462 1.00 0.21 C ATOM 114 N4 DC A 4 -1.182 -8.136 -0.433 1.00 0.24 N ATOM 115 C5 DC A 4 0.596 -9.243 0.716 1.00 0.15 C ATOM 116 C6 DC A 4 1.844 -9.744 0.643 1.00 0.11 C ATOM 0 H5' DC A 4 4.252 -12.850 2.378 1.00 0.09 H new ATOM 0 H5'' DC A 4 5.582 -11.909 3.023 1.00 0.09 H new ATOM 0 H4' DC A 4 5.869 -12.288 0.635 1.00 0.08 H new ATOM 0 H3' DC A 4 5.970 -9.739 1.901 1.00 0.10 H new ATOM 0 H2' DC A 4 4.399 -8.563 0.696 1.00 0.13 H new ATOM 0 H2'' DC A 4 5.487 -8.729 -0.667 1.00 0.13 H new ATOM 0 H1' DC A 4 4.160 -10.313 -1.666 1.00 0.09 H new ATOM 0 H41 DC A 4 -1.730 -8.175 0.426 1.00 0.24 H new ATOM 0 H42 DC A 4 -1.576 -7.707 -1.270 1.00 0.24 H new ATOM 0 H5 DC A 4 0.028 -9.291 1.633 1.00 0.15 H new ATOM 0 H6 DC A 4 2.287 -10.204 1.514 1.00 0.11 H new ATOM 128 P DG A 5 8.413 -9.624 1.057 1.00 0.11 P ATOM 129 OP1 DG A 5 9.584 -9.775 0.165 1.00 0.13 O ATOM 130 OP2 DG A 5 8.455 -10.176 2.429 1.00 0.12 O ATOM 131 O5' DG A 5 8.053 -8.057 1.155 1.00 0.11 O ATOM 132 C5' DG A 5 8.102 -7.221 -0.010 1.00 0.15 C ATOM 133 C4' DG A 5 8.464 -5.784 0.328 1.00 0.13 C ATOM 134 O4' DG A 5 7.501 -5.218 1.245 1.00 0.15 O ATOM 135 C3' DG A 5 9.839 -5.720 0.977 1.00 0.08 C ATOM 136 O3' DG A 5 10.745 -4.950 0.181 1.00 0.11 O ATOM 137 C2' DG A 5 9.629 -5.081 2.321 1.00 0.12 C ATOM 138 C1' DG A 5 8.142 -4.844 2.482 1.00 0.14 C ATOM 139 N9 DG A 5 7.612 -5.638 3.604 1.00 0.14 N ATOM 140 C8 DG A 5 7.099 -6.891 3.607 1.00 0.16 C ATOM 141 N7 DG A 5 6.716 -7.379 4.739 1.00 0.18 N ATOM 142 C5 DG A 5 7.004 -6.327 5.614 1.00 0.16 C ATOM 143 C6 DG A 5 6.813 -6.234 7.019 1.00 0.19 C ATOM 144 O6 DG A 5 6.345 -7.076 7.783 1.00 0.22 O ATOM 145 N1 DG A 5 7.234 -5.004 7.511 1.00 0.18 N ATOM 146 C2 DG A 5 7.773 -3.986 6.750 1.00 0.13 C ATOM 147 N2 DG A 5 8.117 -2.879 7.406 1.00 0.12 N ATOM 148 N3 DG A 5 7.956 -4.065 5.428 1.00 0.12 N ATOM 149 C4 DG A 5 7.553 -5.256 4.926 1.00 0.13 C ATOM 0 H5' DG A 5 7.134 -7.242 -0.511 1.00 0.15 H new ATOM 0 H5'' DG A 5 8.833 -7.622 -0.712 1.00 0.15 H new ATOM 0 H4' DG A 5 8.465 -5.216 -0.602 1.00 0.13 H new ATOM 0 H3' DG A 5 10.281 -6.712 1.072 1.00 0.08 H new ATOM 0 H2' DG A 5 10.003 -5.727 3.116 1.00 0.12 H new ATOM 0 H2'' DG A 5 10.177 -4.141 2.389 1.00 0.12 H new ATOM 0 H1' DG A 5 7.947 -3.795 2.704 1.00 0.14 H new ATOM 0 H8 DG A 5 7.013 -7.462 2.694 1.00 0.16 H new ATOM 0 H1 DG A 5 7.137 -4.841 8.513 1.00 0.18 H new ATOM 0 H21 DG A 5 8.521 -2.091 6.900 1.00 0.12 H new ATOM 0 H22 DG A 5 7.977 -2.819 8.415 1.00 0.12 H new ATOM 161 P DC A 6 11.006 -5.335 -1.359 1.00 0.14 P ATOM 162 OP1 DC A 6 11.096 -6.809 -1.460 1.00 0.23 O ATOM 163 OP2 DC A 6 12.112 -4.492 -1.867 1.00 0.21 O ATOM 164 O5' DC A 6 9.641 -4.862 -2.072 1.00 0.12 O ATOM 165 C5' DC A 6 9.510 -4.881 -3.497 1.00 0.14 C ATOM 166 C4' DC A 6 9.806 -3.509 -4.109 1.00 0.08 C ATOM 167 O4' DC A 6 9.105 -2.462 -3.397 1.00 0.11 O ATOM 168 C3' DC A 6 11.298 -3.180 -4.055 1.00 0.06 C ATOM 169 O3' DC A 6 11.884 -3.214 -5.363 1.00 0.11 O ATOM 170 C2' DC A 6 11.386 -1.799 -3.461 1.00 0.16 C ATOM 171 C1' DC A 6 9.965 -1.310 -3.271 1.00 0.06 C ATOM 172 N1 DC A 6 9.799 -0.649 -1.953 1.00 0.07 N ATOM 173 C2 DC A 6 9.619 0.727 -1.949 1.00 0.09 C ATOM 174 O2 DC A 6 9.607 1.348 -3.010 1.00 0.06 O ATOM 175 N3 DC A 6 9.459 1.355 -0.753 1.00 0.17 N ATOM 176 C4 DC A 6 9.472 0.665 0.395 1.00 0.20 C ATOM 177 N4 DC A 6 9.311 1.313 1.548 1.00 0.27 N ATOM 178 C5 DC A 6 9.657 -0.752 0.399 1.00 0.18 C ATOM 179 C6 DC A 6 9.818 -1.366 -0.790 1.00 0.11 C ATOM 0 H5' DC A 6 8.500 -5.190 -3.766 1.00 0.14 H new ATOM 0 H5'' DC A 6 10.192 -5.621 -3.916 1.00 0.14 H new ATOM 0 H4' DC A 6 9.472 -3.557 -5.146 1.00 0.08 H new ATOM 0 H3' DC A 6 11.846 -3.910 -3.459 1.00 0.06 H new ATOM 0 H2' DC A 6 11.917 -1.821 -2.509 1.00 0.16 H new ATOM 0 H2'' DC A 6 11.940 -1.130 -4.120 1.00 0.16 H new ATOM 0 H1' DC A 6 9.710 -0.561 -4.020 1.00 0.06 H new ATOM 0 H41 DC A 6 9.319 0.798 2.428 1.00 0.27 H new ATOM 0 H42 DC A 6 9.180 2.324 1.550 1.00 0.27 H new ATOM 0 H5 DC A 6 9.667 -1.312 1.323 1.00 0.18 H new ATOM 0 H6 DC A 6 9.964 -2.436 -0.824 1.00 0.11 H new ATOM 191 P DG A 7 11.306 -2.295 -6.555 1.00 0.19 P ATOM 192 OP1 DG A 7 12.294 -2.290 -7.656 1.00 0.33 O ATOM 193 OP2 DG A 7 10.843 -1.016 -5.972 1.00 0.23 O ATOM 194 O5' DG A 7 10.014 -3.125 -7.042 1.00 0.18 O ATOM 195 C5' DG A 7 8.852 -2.441 -7.529 1.00 0.14 C ATOM 196 C4' DG A 7 7.719 -3.395 -7.881 1.00 0.15 C ATOM 197 O4' DG A 7 7.323 -4.167 -6.721 1.00 0.15 O ATOM 198 C3' DG A 7 6.493 -2.626 -8.362 1.00 0.13 C ATOM 199 O3' DG A 7 5.919 -3.242 -9.523 1.00 0.16 O ATOM 200 C2' DG A 7 5.534 -2.680 -7.215 1.00 0.08 C ATOM 201 C1' DG A 7 5.947 -3.876 -6.385 1.00 0.09 C ATOM 202 N9 DG A 7 5.800 -3.612 -4.942 1.00 0.10 N ATOM 203 C8 DG A 7 5.288 -4.405 -3.972 1.00 0.13 C ATOM 204 N7 DG A 7 5.282 -3.944 -2.767 1.00 0.16 N ATOM 205 C5 DG A 7 5.858 -2.682 -2.939 1.00 0.13 C ATOM 206 C6 DG A 7 6.132 -1.668 -1.983 1.00 0.14 C ATOM 207 O6 DG A 7 5.919 -1.683 -0.773 1.00 0.19 O ATOM 208 N1 DG A 7 6.715 -0.554 -2.577 1.00 0.13 N ATOM 209 C2 DG A 7 6.999 -0.431 -3.925 1.00 0.13 C ATOM 210 N2 DG A 7 7.554 0.715 -4.313 1.00 0.10 N ATOM 211 N3 DG A 7 6.744 -1.381 -4.826 1.00 0.12 N ATOM 212 C4 DG A 7 6.177 -2.472 -4.271 1.00 0.10 C ATOM 0 H5' DG A 7 9.120 -1.859 -8.411 1.00 0.14 H new ATOM 0 H5'' DG A 7 8.507 -1.735 -6.774 1.00 0.14 H new ATOM 0 H4' DG A 7 8.085 -4.053 -8.669 1.00 0.15 H new ATOM 0 H3' DG A 7 6.743 -1.605 -8.649 1.00 0.13 H new ATOM 0 H2' DG A 7 5.576 -1.763 -6.627 1.00 0.08 H new ATOM 0 H2'' DG A 7 4.508 -2.785 -7.568 1.00 0.08 H new ATOM 0 H1' DG A 7 5.304 -4.729 -6.605 1.00 0.09 H new ATOM 0 H8 DG A 7 4.899 -5.387 -4.198 1.00 0.13 H new ATOM 0 H1 DG A 7 6.951 0.233 -1.972 1.00 0.13 H new ATOM 0 H21 DG A 7 7.786 0.863 -5.295 1.00 0.10 H new ATOM 0 H22 DG A 7 7.748 1.446 -3.628 1.00 0.10 H new ATOM 224 P DG A 8 5.701 -4.839 -9.588 1.00 0.17 P ATOM 225 OP1 DG A 8 7.019 -5.494 -9.427 1.00 0.31 O ATOM 226 OP2 DG A 8 4.869 -5.143 -10.774 1.00 0.21 O ATOM 227 O5' DG A 8 4.824 -5.145 -8.269 1.00 0.13 O ATOM 228 C5' DG A 8 3.392 -5.194 -8.335 1.00 0.12 C ATOM 229 C4' DG A 8 2.796 -6.254 -7.419 1.00 0.11 C ATOM 230 O4' DG A 8 3.170 -6.038 -6.037 1.00 0.18 O ATOM 231 C3' DG A 8 1.274 -6.244 -7.492 1.00 0.13 C ATOM 232 O3' DG A 8 0.781 -7.462 -8.062 1.00 0.14 O ATOM 233 C2' DG A 8 0.813 -6.086 -6.070 1.00 0.15 C ATOM 234 C1' DG A 8 2.028 -6.309 -5.204 1.00 0.16 C ATOM 235 N9 DG A 8 1.996 -5.447 -4.008 1.00 0.10 N ATOM 236 C8 DG A 8 1.620 -5.752 -2.742 1.00 0.14 C ATOM 237 N7 DG A 8 1.696 -4.819 -1.850 1.00 0.17 N ATOM 238 C5 DG A 8 2.183 -3.746 -2.608 1.00 0.08 C ATOM 239 C6 DG A 8 2.486 -2.417 -2.213 1.00 0.15 C ATOM 240 O6 DG A 8 2.388 -1.912 -1.097 1.00 0.23 O ATOM 241 N1 DG A 8 2.948 -1.660 -3.283 1.00 0.23 N ATOM 242 C2 DG A 8 3.101 -2.121 -4.576 1.00 0.29 C ATOM 243 N2 DG A 8 3.551 -1.238 -5.467 1.00 0.41 N ATOM 244 N3 DG A 8 2.820 -3.370 -4.956 1.00 0.24 N ATOM 245 C4 DG A 8 2.368 -4.126 -3.931 1.00 0.10 C ATOM 0 H5' DG A 8 3.087 -5.394 -9.362 1.00 0.12 H new ATOM 0 H5'' DG A 8 2.987 -4.218 -8.066 1.00 0.12 H new ATOM 0 H4' DG A 8 3.188 -7.211 -7.762 1.00 0.11 H new ATOM 0 H3' DG A 8 0.902 -5.441 -8.129 1.00 0.13 H new ATOM 0 H2' DG A 8 0.395 -5.093 -5.905 1.00 0.15 H new ATOM 0 H2'' DG A 8 0.029 -6.805 -5.833 1.00 0.15 H new ATOM 0 H1' DG A 8 2.065 -7.330 -4.825 1.00 0.16 H new ATOM 0 H8 DG A 8 1.269 -6.741 -2.487 1.00 0.14 H new ATOM 0 H1 DG A 8 3.193 -0.687 -3.099 1.00 0.23 H new ATOM 0 H21 DG A 8 3.685 -1.517 -6.439 1.00 0.41 H new ATOM 0 H22 DG A 8 3.761 -0.283 -5.177 1.00 0.41 H new ATOM 257 P DG A 9 -0.750 -7.578 -8.543 1.00 0.15 P ATOM 258 OP1 DG A 9 -0.867 -8.752 -9.439 1.00 0.19 O ATOM 259 OP2 DG A 9 -1.191 -6.246 -9.012 1.00 0.20 O ATOM 260 O5' DG A 9 -1.527 -7.912 -7.173 1.00 0.20 O ATOM 261 C5' DG A 9 -1.405 -9.205 -6.566 1.00 0.18 C ATOM 262 C4' DG A 9 -2.113 -9.283 -5.221 1.00 0.15 C ATOM 263 O4' DG A 9 -1.564 -8.313 -4.301 1.00 0.13 O ATOM 264 C3' DG A 9 -3.608 -9.004 -5.367 1.00 0.17 C ATOM 265 O3' DG A 9 -4.382 -10.138 -4.958 1.00 0.15 O ATOM 266 C2' DG A 9 -3.885 -7.825 -4.479 1.00 0.23 C ATOM 267 C1' DG A 9 -2.628 -7.568 -3.676 1.00 0.17 C ATOM 268 N9 DG A 9 -2.317 -6.128 -3.631 1.00 0.10 N ATOM 269 C8 DG A 9 -2.105 -5.255 -4.643 1.00 0.13 C ATOM 270 N7 DG A 9 -1.835 -4.029 -4.330 1.00 0.18 N ATOM 271 C5 DG A 9 -1.872 -4.080 -2.931 1.00 0.13 C ATOM 272 C6 DG A 9 -1.662 -3.050 -1.975 1.00 0.18 C ATOM 273 O6 DG A 9 -1.392 -1.868 -2.173 1.00 0.34 O ATOM 274 N1 DG A 9 -1.796 -3.527 -0.675 1.00 0.10 N ATOM 275 C2 DG A 9 -2.095 -4.832 -0.335 1.00 0.10 C ATOM 276 N2 DG A 9 -2.194 -5.097 0.967 1.00 0.12 N ATOM 277 N3 DG A 9 -2.293 -5.804 -1.228 1.00 0.15 N ATOM 278 C4 DG A 9 -2.168 -5.364 -2.499 1.00 0.07 C ATOM 0 H5' DG A 9 -0.350 -9.443 -6.432 1.00 0.18 H new ATOM 0 H5'' DG A 9 -1.819 -9.959 -7.236 1.00 0.18 H new ATOM 0 H4' DG A 9 -1.964 -10.293 -4.839 1.00 0.15 H new ATOM 0 H3' DG A 9 -3.879 -8.802 -6.403 1.00 0.17 H new ATOM 0 H2' DG A 9 -4.149 -6.949 -5.072 1.00 0.23 H new ATOM 0 H2'' DG A 9 -4.728 -8.029 -3.819 1.00 0.23 H new ATOM 0 H1' DG A 9 -2.759 -7.889 -2.643 1.00 0.17 H new ATOM 0 H8 DG A 9 -2.159 -5.570 -5.675 1.00 0.13 H new ATOM 0 H1 DG A 9 -1.663 -2.861 0.086 1.00 0.10 H new ATOM 0 H21 DG A 9 -2.413 -6.043 1.280 1.00 0.12 H new ATOM 0 H22 DG A 9 -2.051 -4.354 1.651 1.00 0.12 H new ATOM 290 P DA A 10 -5.991 -10.084 -4.992 1.00 0.15 P ATOM 291 OP1 DA A 10 -6.505 -11.447 -4.730 1.00 0.16 O ATOM 292 OP2 DA A 10 -6.406 -9.362 -6.216 1.00 0.18 O ATOM 293 O5' DA A 10 -6.342 -9.161 -3.719 1.00 0.13 O ATOM 294 C5' DA A 10 -6.341 -9.714 -2.399 1.00 0.14 C ATOM 295 C4' DA A 10 -6.764 -8.681 -1.353 1.00 0.10 C ATOM 296 O4' DA A 10 -5.857 -7.553 -1.349 1.00 0.11 O ATOM 297 C3' DA A 10 -8.170 -8.149 -1.635 1.00 0.09 C ATOM 298 O3' DA A 10 -9.020 -8.323 -0.495 1.00 0.07 O ATOM 299 C2' DA A 10 -7.985 -6.691 -1.928 1.00 0.08 C ATOM 300 C1' DA A 10 -6.613 -6.329 -1.411 1.00 0.10 C ATOM 301 N9 DA A 10 -5.959 -5.329 -2.275 1.00 0.12 N ATOM 302 C8 DA A 10 -5.808 -5.305 -3.623 1.00 0.15 C ATOM 303 N7 DA A 10 -5.232 -4.271 -4.138 1.00 0.17 N ATOM 304 C5 DA A 10 -4.958 -3.505 -3.001 1.00 0.12 C ATOM 305 C6 DA A 10 -4.347 -2.261 -2.822 1.00 0.13 C ATOM 306 N6 DA A 10 -3.885 -1.528 -3.835 1.00 0.20 N ATOM 307 N1 DA A 10 -4.235 -1.799 -1.558 1.00 0.12 N ATOM 308 C2 DA A 10 -4.699 -2.519 -0.539 1.00 0.13 C ATOM 309 N3 DA A 10 -5.296 -3.705 -0.596 1.00 0.12 N ATOM 310 C4 DA A 10 -5.396 -4.144 -1.866 1.00 0.11 C ATOM 0 H5' DA A 10 -5.344 -10.086 -2.161 1.00 0.14 H new ATOM 0 H5'' DA A 10 -7.017 -10.568 -2.362 1.00 0.14 H new ATOM 0 H4' DA A 10 -6.746 -9.185 -0.387 1.00 0.10 H new ATOM 0 H3' DA A 10 -8.643 -8.679 -2.461 1.00 0.09 H new ATOM 0 H2' DA A 10 -8.062 -6.496 -2.998 1.00 0.08 H new ATOM 0 H2'' DA A 10 -8.755 -6.095 -1.439 1.00 0.08 H new ATOM 0 H1' DA A 10 -6.680 -5.870 -0.424 1.00 0.10 H new ATOM 0 H8 DA A 10 -6.156 -6.119 -4.241 1.00 0.15 H new ATOM 0 H61 DA A 10 -3.446 -0.625 -3.653 1.00 0.20 H new ATOM 0 H62 DA A 10 -3.970 -1.870 -4.792 1.00 0.20 H new ATOM 0 H2 DA A 10 -4.576 -2.091 0.445 1.00 0.13 H new ATOM 322 P DG A 11 -8.737 -7.508 0.869 1.00 0.10 P ATOM 323 OP1 DG A 11 -7.324 -7.726 1.252 1.00 0.18 O ATOM 324 OP2 DG A 11 -9.819 -7.822 1.828 1.00 0.16 O ATOM 325 O5' DG A 11 -8.902 -5.971 0.408 1.00 0.22 O ATOM 326 C5' DG A 11 -9.636 -5.040 1.218 1.00 0.12 C ATOM 327 C4' DG A 11 -9.995 -3.763 0.465 1.00 0.08 C ATOM 328 O4' DG A 11 -10.671 -2.831 1.341 1.00 0.07 O ATOM 329 C3' DG A 11 -8.745 -3.070 -0.074 1.00 0.13 C ATOM 330 O3' DG A 11 -8.908 -2.712 -1.454 1.00 0.17 O ATOM 331 C2' DG A 11 -8.576 -1.846 0.775 1.00 0.14 C ATOM 332 C1' DG A 11 -9.896 -1.618 1.479 1.00 0.12 C ATOM 333 N9 DG A 11 -9.685 -1.286 2.900 1.00 0.13 N ATOM 334 C8 DG A 11 -9.330 -2.089 3.933 1.00 0.16 C ATOM 335 N7 DG A 11 -9.211 -1.548 5.099 1.00 0.12 N ATOM 336 C5 DG A 11 -9.525 -0.213 4.827 1.00 0.08 C ATOM 337 C6 DG A 11 -9.575 0.906 5.701 1.00 0.11 C ATOM 338 O6 DG A 11 -9.350 0.940 6.910 1.00 0.13 O ATOM 339 N1 DG A 11 -9.931 2.066 5.025 1.00 0.19 N ATOM 340 C2 DG A 11 -10.206 2.146 3.674 1.00 0.20 C ATOM 341 N2 DG A 11 -10.531 3.353 3.209 1.00 0.28 N ATOM 342 N3 DG A 11 -10.161 1.099 2.844 1.00 0.16 N ATOM 343 C4 DG A 11 -9.816 -0.044 3.482 1.00 0.11 C ATOM 0 H5' DG A 11 -9.045 -4.785 2.098 1.00 0.12 H new ATOM 0 H5'' DG A 11 -10.549 -5.516 1.575 1.00 0.12 H new ATOM 0 H4' DG A 11 -10.644 -4.052 -0.361 1.00 0.08 H new ATOM 0 H3' DG A 11 -7.873 -3.722 -0.029 1.00 0.13 H new ATOM 0 H2' DG A 11 -7.771 -1.984 1.497 1.00 0.14 H new ATOM 0 H2'' DG A 11 -8.310 -0.984 0.163 1.00 0.14 H new ATOM 0 H1' DG A 11 -10.425 -0.775 1.034 1.00 0.12 H new ATOM 0 H8 DG A 11 -9.153 -3.144 3.786 1.00 0.16 H new ATOM 0 H1 DG A 11 -9.994 2.926 5.569 1.00 0.19 H new ATOM 0 H21 DG A 11 -10.745 3.478 2.220 1.00 0.28 H new ATOM 0 H22 DG A 11 -10.565 4.151 3.843 1.00 0.28 H new ATOM 355 P DG A 12 -10.256 -1.995 -1.980 1.00 0.19 P ATOM 356 OP1 DG A 12 -11.101 -1.663 -0.812 1.00 0.15 O ATOM 357 OP2 DG A 12 -10.814 -2.816 -3.078 1.00 0.30 O ATOM 358 O5' DG A 12 -9.712 -0.616 -2.614 1.00 0.26 O ATOM 359 C5' DG A 12 -9.839 0.629 -1.907 1.00 0.21 C ATOM 360 C4' DG A 12 -11.151 1.338 -2.212 1.00 0.20 C ATOM 361 O4' DG A 12 -12.264 0.631 -1.620 1.00 0.21 O ATOM 362 C3' DG A 12 -11.154 2.766 -1.668 1.00 0.19 C ATOM 363 O3' DG A 12 -11.156 3.725 -2.736 1.00 0.18 O ATOM 364 C2' DG A 12 -12.403 2.886 -0.837 1.00 0.20 C ATOM 365 C1' DG A 12 -13.117 1.549 -0.900 1.00 0.18 C ATOM 366 N9 DG A 12 -13.405 1.040 0.459 1.00 0.16 N ATOM 367 C8 DG A 12 -12.581 0.897 1.535 1.00 0.16 C ATOM 368 N7 DG A 12 -13.094 0.417 2.618 1.00 0.18 N ATOM 369 C5 DG A 12 -14.423 0.208 2.239 1.00 0.18 C ATOM 370 C6 DG A 12 -15.513 -0.307 2.992 1.00 0.20 C ATOM 371 O6 DG A 12 -15.520 -0.689 4.160 1.00 0.24 O ATOM 372 N1 DG A 12 -16.678 -0.353 2.236 1.00 0.19 N ATOM 373 C2 DG A 12 -16.788 0.048 0.919 1.00 0.18 C ATOM 374 N2 DG A 12 -17.994 -0.072 0.366 1.00 0.19 N ATOM 375 N3 DG A 12 -15.768 0.534 0.204 1.00 0.18 N ATOM 376 C4 DG A 12 -14.621 0.588 0.919 1.00 0.15 C ATOM 0 H5' DG A 12 -9.007 1.281 -2.172 1.00 0.21 H new ATOM 0 H5'' DG A 12 -9.770 0.444 -0.835 1.00 0.21 H new ATOM 0 H4' DG A 12 -11.252 1.361 -3.297 1.00 0.20 H new ATOM 0 H3' DG A 12 -10.260 2.967 -1.078 1.00 0.19 H new ATOM 0 H2' DG A 12 -12.156 3.141 0.193 1.00 0.20 H new ATOM 0 H2'' DG A 12 -13.043 3.682 -1.218 1.00 0.20 H new ATOM 0 H1' DG A 12 -14.074 1.657 -1.410 1.00 0.18 H new ATOM 0 H8 DG A 12 -11.539 1.175 1.484 1.00 0.16 H new ATOM 0 H1 DG A 12 -17.518 -0.711 2.690 1.00 0.19 H new ATOM 0 H21 DG A 12 -18.140 0.207 -0.604 1.00 0.19 H new ATOM 0 H22 DG A 12 -18.771 -0.443 0.913 1.00 0.19 H new ATOM 388 P DA A 13 -12.346 3.753 -3.824 1.00 0.15 P ATOM 389 OP1 DA A 13 -13.503 3.018 -3.268 1.00 0.13 O ATOM 390 OP2 DA A 13 -11.783 3.358 -5.134 1.00 0.19 O ATOM 391 O5' DA A 13 -12.729 5.319 -3.892 1.00 0.14 O ATOM 392 C5' DA A 13 -11.913 6.242 -4.622 1.00 0.21 C ATOM 393 C4' DA A 13 -11.265 7.271 -3.699 1.00 0.15 C ATOM 394 O4' DA A 13 -12.276 8.069 -3.041 1.00 0.19 O ATOM 395 C3' DA A 13 -10.430 6.579 -2.628 1.00 0.10 C ATOM 396 O3' DA A 13 -9.026 6.841 -2.798 1.00 0.12 O ATOM 397 C2' DA A 13 -10.933 7.112 -1.315 1.00 0.09 C ATOM 398 C1' DA A 13 -12.163 7.944 -1.608 1.00 0.15 C ATOM 399 N9 DA A 13 -13.370 7.310 -1.043 1.00 0.14 N ATOM 400 C8 DA A 13 -13.662 6.995 0.242 1.00 0.16 C ATOM 401 N7 DA A 13 -14.799 6.426 0.474 1.00 0.21 N ATOM 402 C5 DA A 13 -15.341 6.348 -0.813 1.00 0.16 C ATOM 403 C6 DA A 13 -16.551 5.845 -1.302 1.00 0.19 C ATOM 404 N6 DA A 13 -17.481 5.298 -0.519 1.00 0.30 N ATOM 405 N1 DA A 13 -16.765 5.925 -2.627 1.00 0.15 N ATOM 406 C2 DA A 13 -15.847 6.469 -3.428 1.00 0.18 C ATOM 407 N3 DA A 13 -14.670 6.975 -3.072 1.00 0.20 N ATOM 408 C4 DA A 13 -14.478 6.883 -1.741 1.00 0.14 C ATOM 0 H5' DA A 13 -12.520 6.754 -5.369 1.00 0.21 H new ATOM 0 H5'' DA A 13 -11.138 5.696 -5.161 1.00 0.21 H new ATOM 0 H4' DA A 13 -10.628 7.909 -4.311 1.00 0.15 H new ATOM 0 H3' DA A 13 -10.533 5.495 -2.685 1.00 0.10 H new ATOM 0 H2' DA A 13 -11.175 6.294 -0.636 1.00 0.09 H new ATOM 0 H2'' DA A 13 -10.168 7.716 -0.827 1.00 0.09 H new ATOM 0 H1' DA A 13 -12.071 8.928 -1.149 1.00 0.15 H new ATOM 0 H8 DA A 13 -12.970 7.211 1.043 1.00 0.16 H new ATOM 0 H61 DA A 13 -18.347 4.946 -0.926 1.00 0.30 H new ATOM 0 H62 DA A 13 -17.326 5.232 0.487 1.00 0.30 H new ATOM 0 H2 DA A 13 -16.086 6.502 -4.481 1.00 0.18 H new ATOM 420 P DA A 14 -8.445 8.345 -2.847 1.00 0.14 P ATOM 421 OP1 DA A 14 -9.412 9.236 -2.167 1.00 0.15 O ATOM 422 OP2 DA A 14 -8.024 8.638 -4.236 1.00 0.20 O ATOM 423 O5' DA A 14 -7.119 8.246 -1.929 1.00 0.12 O ATOM 424 C5' DA A 14 -7.222 8.408 -0.512 1.00 0.06 C ATOM 425 C4' DA A 14 -6.817 7.141 0.249 1.00 0.07 C ATOM 426 O4' DA A 14 -6.357 7.505 1.567 1.00 0.07 O ATOM 427 C3' DA A 14 -8.020 6.237 0.454 1.00 0.09 C ATOM 428 O3' DA A 14 -7.635 4.869 0.527 1.00 0.12 O ATOM 429 C2' DA A 14 -8.587 6.670 1.763 1.00 0.08 C ATOM 430 C1' DA A 14 -7.425 7.278 2.523 1.00 0.08 C ATOM 431 N9 DA A 14 -7.820 8.532 3.188 1.00 0.10 N ATOM 432 C8 DA A 14 -7.722 8.870 4.490 1.00 0.10 C ATOM 433 N7 DA A 14 -8.142 10.040 4.840 1.00 0.10 N ATOM 434 C5 DA A 14 -8.581 10.556 3.616 1.00 0.09 C ATOM 435 C6 DA A 14 -9.155 11.780 3.255 1.00 0.10 C ATOM 436 N6 DA A 14 -9.400 12.756 4.128 1.00 0.15 N ATOM 437 N1 DA A 14 -9.468 11.957 1.959 1.00 0.13 N ATOM 438 C2 DA A 14 -9.231 10.992 1.068 1.00 0.16 C ATOM 439 N3 DA A 14 -8.693 9.798 1.301 1.00 0.16 N ATOM 440 C4 DA A 14 -8.388 9.644 2.604 1.00 0.11 C ATOM 0 H5' DA A 14 -8.247 8.673 -0.252 1.00 0.06 H new ATOM 0 H5'' DA A 14 -6.589 9.237 -0.196 1.00 0.06 H new ATOM 0 H4' DA A 14 -6.044 6.634 -0.329 1.00 0.07 H new ATOM 0 H3' DA A 14 -8.728 6.316 -0.371 1.00 0.09 H new ATOM 0 H2' DA A 14 -9.388 7.396 1.623 1.00 0.08 H new ATOM 0 H2'' DA A 14 -9.013 5.826 2.305 1.00 0.08 H new ATOM 0 H1' DA A 14 -7.093 6.603 3.312 1.00 0.08 H new ATOM 0 H8 DA A 14 -7.307 8.186 5.215 1.00 0.10 H new ATOM 0 H61 DA A 14 -9.820 13.630 3.811 1.00 0.15 H new ATOM 0 H62 DA A 14 -9.167 12.630 5.113 1.00 0.15 H new ATOM 0 H2 DA A 14 -9.506 11.204 0.045 1.00 0.16 H new ATOM 452 P DT A 15 -7.249 4.104 -0.815 1.00 0.13 P ATOM 453 OP1 DT A 15 -8.372 4.252 -1.768 1.00 0.21 O ATOM 454 OP2 DT A 15 -6.756 2.755 -0.465 1.00 0.13 O ATOM 455 O5' DT A 15 -6.024 5.006 -1.340 1.00 0.11 O ATOM 456 C5' DT A 15 -6.076 5.550 -2.650 1.00 0.15 C ATOM 457 C4' DT A 15 -5.325 4.655 -3.626 1.00 0.11 C ATOM 458 O4' DT A 15 -4.060 4.256 -3.057 1.00 0.10 O ATOM 459 C3' DT A 15 -6.144 3.399 -3.935 1.00 0.16 C ATOM 460 O3' DT A 15 -6.545 3.351 -5.316 1.00 0.17 O ATOM 461 C2' DT A 15 -5.242 2.248 -3.565 1.00 0.20 C ATOM 462 C1' DT A 15 -4.030 2.832 -2.864 1.00 0.11 C ATOM 463 N1 DT A 15 -4.063 2.486 -1.435 1.00 0.08 N ATOM 464 C2 DT A 15 -3.915 1.161 -1.120 1.00 0.12 C ATOM 465 O2 DT A 15 -3.623 0.327 -1.967 1.00 0.17 O ATOM 466 N3 DT A 15 -4.088 0.827 0.203 1.00 0.15 N ATOM 467 C4 DT A 15 -4.391 1.707 1.235 1.00 0.14 C ATOM 468 O4 DT A 15 -4.531 1.302 2.387 1.00 0.20 O ATOM 469 C5 DT A 15 -4.520 3.084 0.806 1.00 0.11 C ATOM 470 C7 DT A 15 -4.946 4.166 1.801 1.00 0.13 C ATOM 471 C6 DT A 15 -4.347 3.422 -0.483 1.00 0.10 C ATOM 0 H5' DT A 15 -5.640 6.549 -2.653 1.00 0.15 H new ATOM 0 H5'' DT A 15 -7.114 5.654 -2.967 1.00 0.15 H new ATOM 0 H4' DT A 15 -5.158 5.216 -4.545 1.00 0.11 H new ATOM 0 H3' DT A 15 -7.078 3.373 -3.374 1.00 0.16 H new ATOM 0 H2' DT A 15 -5.762 1.546 -2.913 1.00 0.20 H new ATOM 0 H2'' DT A 15 -4.942 1.694 -4.454 1.00 0.20 H new ATOM 0 H1' DT A 15 -3.106 2.426 -3.276 1.00 0.11 H new ATOM 0 H3 DT A 15 -3.984 -0.157 0.449 1.00 0.15 H new ATOM 0 H71 DT A 15 -5.593 3.727 2.561 1.00 0.13 H new ATOM 0 H72 DT A 15 -4.062 4.590 2.277 1.00 0.13 H new ATOM 0 H73 DT A 15 -5.487 4.952 1.274 1.00 0.13 H new ATOM 0 H6 DT A 15 -4.435 4.459 -0.773 1.00 0.10 H new ATOM 484 P DT A 16 -6.437 1.995 -6.186 1.00 0.20 P ATOM 485 OP1 DT A 16 -6.978 2.267 -7.536 1.00 0.25 O ATOM 486 OP2 DT A 16 -6.995 0.886 -5.380 1.00 0.30 O ATOM 487 O5' DT A 16 -4.849 1.770 -6.314 1.00 0.18 O ATOM 488 C5' DT A 16 -3.979 2.881 -6.520 1.00 0.16 C ATOM 489 C4' DT A 16 -3.855 3.197 -8.001 1.00 0.15 C ATOM 490 O4' DT A 16 -5.166 3.435 -8.577 1.00 0.13 O ATOM 491 C3' DT A 16 -3.004 4.440 -8.233 1.00 0.16 C ATOM 492 O3' DT A 16 -1.950 4.162 -9.164 1.00 0.23 O ATOM 493 C2' DT A 16 -3.948 5.479 -8.779 1.00 0.15 C ATOM 494 C1' DT A 16 -5.250 4.776 -9.114 1.00 0.13 C ATOM 495 N1 DT A 16 -6.418 5.511 -8.556 1.00 0.10 N ATOM 496 C2 DT A 16 -7.211 6.215 -9.445 1.00 0.13 C ATOM 497 O2 DT A 16 -6.974 6.242 -10.651 1.00 0.14 O ATOM 498 N3 DT A 16 -8.289 6.890 -8.900 1.00 0.14 N ATOM 499 C4 DT A 16 -8.640 6.925 -7.561 1.00 0.12 C ATOM 500 O4 DT A 16 -9.624 7.560 -7.189 1.00 0.15 O ATOM 501 C5 DT A 16 -7.761 6.165 -6.702 1.00 0.08 C ATOM 502 C7 DT A 16 -8.023 6.140 -5.192 1.00 0.09 C ATOM 503 C6 DT A 16 -6.700 5.494 -7.211 1.00 0.08 C ATOM 0 H5' DT A 16 -2.995 2.661 -6.106 1.00 0.16 H new ATOM 0 H5'' DT A 16 -4.361 3.752 -5.988 1.00 0.16 H new ATOM 0 H4' DT A 16 -3.380 2.338 -8.475 1.00 0.15 H new ATOM 0 H3' DT A 16 -2.524 4.781 -7.316 1.00 0.16 H new ATOM 0 H2' DT A 16 -4.115 6.269 -8.046 1.00 0.15 H new ATOM 0 H2'' DT A 16 -3.527 5.952 -9.667 1.00 0.15 H new ATOM 0 H1' DT A 16 -5.397 4.742 -10.194 1.00 0.13 H new ATOM 0 H3 DT A 16 -8.881 7.411 -9.546 1.00 0.14 H new ATOM 0 H71 DT A 16 -7.678 5.192 -4.779 1.00 0.09 H new ATOM 0 H72 DT A 16 -7.486 6.960 -4.716 1.00 0.09 H new ATOM 0 H73 DT A 16 -9.091 6.250 -5.006 1.00 0.09 H new ATOM 0 H6 DT A 16 -6.061 4.933 -6.545 1.00 0.08 H new ATOM 516 P DG A 17 -2.266 3.476 -10.589 1.00 0.10 P ATOM 517 OP1 DG A 17 -2.713 4.534 -11.523 1.00 0.24 O ATOM 518 OP2 DG A 17 -3.117 2.288 -10.359 1.00 0.28 O ATOM 519 O5' DG A 17 -0.813 2.966 -11.064 1.00 0.14 O ATOM 520 C5' DG A 17 -0.146 1.887 -10.387 1.00 0.12 C ATOM 521 C4' DG A 17 1.176 2.327 -9.781 1.00 0.09 C ATOM 522 O4' DG A 17 0.924 3.155 -8.629 1.00 0.09 O ATOM 523 C3' DG A 17 2.034 1.139 -9.328 1.00 0.07 C ATOM 524 O3' DG A 17 3.308 1.160 -10.005 1.00 0.11 O ATOM 525 C2' DG A 17 2.172 1.302 -7.842 1.00 0.08 C ATOM 526 C1' DG A 17 1.745 2.718 -7.537 1.00 0.08 C ATOM 527 N9 DG A 17 1.035 2.822 -6.256 1.00 0.07 N ATOM 528 C8 DG A 17 0.943 3.896 -5.460 1.00 0.10 C ATOM 529 N7 DG A 17 0.301 3.773 -4.351 1.00 0.13 N ATOM 530 C5 DG A 17 -0.100 2.435 -4.402 1.00 0.09 C ATOM 531 C6 DG A 17 -0.850 1.678 -3.467 1.00 0.10 C ATOM 532 O6 DG A 17 -1.307 2.047 -2.387 1.00 0.10 O ATOM 533 N1 DG A 17 -1.041 0.371 -3.900 1.00 0.12 N ATOM 534 C2 DG A 17 -0.562 -0.149 -5.089 1.00 0.15 C ATOM 535 N2 DG A 17 -0.840 -1.433 -5.330 1.00 0.16 N ATOM 536 N3 DG A 17 0.149 0.562 -5.977 1.00 0.14 N ATOM 537 C4 DG A 17 0.342 1.840 -5.574 1.00 0.08 C ATOM 0 H5' DG A 17 0.030 1.072 -11.089 1.00 0.12 H new ATOM 0 H5'' DG A 17 -0.793 1.497 -9.601 1.00 0.12 H new ATOM 0 H4' DG A 17 1.716 2.872 -10.555 1.00 0.09 H new ATOM 0 H3' DG A 17 1.588 0.175 -9.570 1.00 0.07 H new ATOM 0 H2' DG A 17 1.548 0.583 -7.311 1.00 0.08 H new ATOM 0 H2'' DG A 17 3.200 1.127 -7.524 1.00 0.08 H new ATOM 0 H1' DG A 17 2.623 3.356 -7.434 1.00 0.08 H new ATOM 0 H8 DG A 17 1.394 4.836 -5.740 1.00 0.10 H new ATOM 0 H1 DG A 17 -1.575 -0.252 -3.295 1.00 0.12 H new ATOM 0 H21 DG A 17 -0.514 -1.873 -6.191 1.00 0.16 H new ATOM 0 H22 DG A 17 -1.379 -1.974 -4.653 1.00 0.16 H new ATOM 549 P DG A 18 4.684 1.561 -9.259 1.00 0.11 P ATOM 550 OP1 DG A 18 5.672 1.947 -10.290 1.00 0.22 O ATOM 551 OP2 DG A 18 5.012 0.492 -8.289 1.00 0.21 O ATOM 552 O5' DG A 18 4.277 2.885 -8.430 1.00 0.12 O ATOM 553 C5' DG A 18 4.365 4.183 -9.035 1.00 0.10 C ATOM 554 C4' DG A 18 5.083 5.196 -8.155 1.00 0.06 C ATOM 555 O4' DG A 18 4.473 5.244 -6.850 1.00 0.07 O ATOM 556 C3' DG A 18 6.555 4.831 -7.979 1.00 0.09 C ATOM 557 O3' DG A 18 7.392 5.961 -8.266 1.00 0.16 O ATOM 558 C2' DG A 18 6.691 4.408 -6.542 1.00 0.10 C ATOM 559 C1' DG A 18 5.395 4.767 -5.848 1.00 0.03 C ATOM 560 N9 DG A 18 4.848 3.599 -5.142 1.00 0.07 N ATOM 561 C8 DG A 18 4.512 2.373 -5.619 1.00 0.12 C ATOM 562 N7 DG A 18 4.056 1.511 -4.772 1.00 0.14 N ATOM 563 C5 DG A 18 4.089 2.239 -3.576 1.00 0.10 C ATOM 564 C6 DG A 18 3.713 1.854 -2.260 1.00 0.09 C ATOM 565 O6 DG A 18 3.271 0.773 -1.878 1.00 0.13 O ATOM 566 N1 DG A 18 3.905 2.889 -1.352 1.00 0.06 N ATOM 567 C2 DG A 18 4.397 4.139 -1.664 1.00 0.07 C ATOM 568 N2 DG A 18 4.512 4.999 -0.655 1.00 0.17 N ATOM 569 N3 DG A 18 4.750 4.509 -2.898 1.00 0.04 N ATOM 570 C4 DG A 18 4.572 3.518 -3.799 1.00 0.06 C ATOM 0 H5' DG A 18 3.361 4.546 -9.254 1.00 0.10 H new ATOM 0 H5'' DG A 18 4.889 4.100 -9.987 1.00 0.10 H new ATOM 0 H4' DG A 18 5.006 6.165 -8.647 1.00 0.06 H new ATOM 0 H3' DG A 18 6.864 4.038 -8.660 1.00 0.09 H new ATOM 0 H2' DG A 18 6.882 3.337 -6.472 1.00 0.10 H new ATOM 0 H2'' DG A 18 7.534 4.913 -6.070 1.00 0.10 H new ATOM 0 H1' DG A 18 5.566 5.544 -5.103 1.00 0.03 H new ATOM 0 H8 DG A 18 4.622 2.128 -6.665 1.00 0.12 H new ATOM 0 H1 DG A 18 3.663 2.710 -0.378 1.00 0.06 H new ATOM 0 H21 DG A 18 4.870 5.939 -0.824 1.00 0.17 H new ATOM 0 H22 DG A 18 4.242 4.718 0.288 1.00 0.17 H new ATOM 582 P DG A 19 8.913 6.024 -7.737 1.00 0.13 P ATOM 583 OP1 DG A 19 9.564 7.210 -8.338 1.00 0.17 O ATOM 584 OP2 DG A 19 9.520 4.684 -7.904 1.00 0.22 O ATOM 585 O5' DG A 19 8.719 6.299 -6.160 1.00 0.13 O ATOM 586 C5' DG A 19 8.077 7.500 -5.710 1.00 0.15 C ATOM 587 C4' DG A 19 8.250 7.749 -4.224 1.00 0.16 C ATOM 588 O4' DG A 19 7.418 6.874 -3.433 1.00 0.14 O ATOM 589 C3' DG A 19 9.692 7.536 -3.802 1.00 0.17 C ATOM 590 O3' DG A 19 10.304 8.779 -3.429 1.00 0.17 O ATOM 591 C2' DG A 19 9.633 6.585 -2.635 1.00 0.20 C ATOM 592 C1' DG A 19 8.169 6.386 -2.304 1.00 0.15 C ATOM 593 N9 DG A 19 7.861 4.970 -2.037 1.00 0.14 N ATOM 594 C8 DG A 19 7.729 3.937 -2.903 1.00 0.20 C ATOM 595 N7 DG A 19 7.408 2.787 -2.417 1.00 0.23 N ATOM 596 C5 DG A 19 7.311 3.066 -1.054 1.00 0.13 C ATOM 597 C6 DG A 19 6.984 2.204 0.028 1.00 0.13 C ATOM 598 O6 DG A 19 6.715 1.004 -0.012 1.00 0.24 O ATOM 599 N1 DG A 19 6.996 2.883 1.244 1.00 0.16 N ATOM 600 C2 DG A 19 7.287 4.226 1.397 1.00 0.24 C ATOM 601 N2 DG A 19 7.256 4.701 2.642 1.00 0.38 N ATOM 602 N3 DG A 19 7.594 5.042 0.381 1.00 0.23 N ATOM 603 C4 DG A 19 7.588 4.402 -0.809 1.00 0.14 C ATOM 0 H5' DG A 19 7.013 7.444 -5.941 1.00 0.15 H new ATOM 0 H5'' DG A 19 8.479 8.349 -6.263 1.00 0.15 H new ATOM 0 H4' DG A 19 7.955 8.784 -4.049 1.00 0.16 H new ATOM 0 H3' DG A 19 10.297 7.133 -4.614 1.00 0.17 H new ATOM 0 H2' DG A 19 10.105 5.635 -2.887 1.00 0.20 H new ATOM 0 H2'' DG A 19 10.171 6.991 -1.778 1.00 0.20 H new ATOM 0 H1' DG A 19 7.907 6.929 -1.396 1.00 0.15 H new ATOM 0 H8 DG A 19 7.887 4.072 -3.963 1.00 0.20 H new ATOM 0 H1 DG A 19 6.773 2.350 2.084 1.00 0.16 H new ATOM 0 H21 DG A 19 7.462 5.684 2.818 1.00 0.38 H new ATOM 0 H22 DG A 19 7.026 4.081 3.419 1.00 0.38 H new ATOM 615 P DC A 20 9.755 9.635 -2.175 1.00 0.25 P ATOM 616 OP1 DC A 20 10.651 10.798 -1.986 1.00 0.44 O ATOM 617 OP2 DC A 20 9.510 8.706 -1.049 1.00 0.37 O ATOM 618 O5' DC A 20 8.331 10.180 -2.697 1.00 0.20 O ATOM 619 C5' DC A 20 7.155 10.017 -1.896 1.00 0.23 C ATOM 620 C4' DC A 20 6.084 11.055 -2.232 1.00 0.18 C ATOM 621 O4' DC A 20 6.534 12.385 -1.897 1.00 0.14 O ATOM 622 C3' DC A 20 5.733 11.037 -3.718 1.00 0.27 C ATOM 623 O3' DC A 20 4.459 10.422 -3.956 1.00 0.29 O ATOM 624 C2' DC A 20 5.724 12.477 -4.144 1.00 0.33 C ATOM 625 C1' DC A 20 6.267 13.294 -2.987 1.00 0.25 C ATOM 626 N1 DC A 20 7.502 14.004 -3.383 1.00 0.23 N ATOM 627 C2 DC A 20 7.460 15.389 -3.453 1.00 0.21 C ATOM 628 O2 DC A 20 6.419 15.987 -3.189 1.00 0.24 O ATOM 629 N3 DC A 20 8.592 16.051 -3.819 1.00 0.21 N ATOM 630 C4 DC A 20 9.718 15.383 -4.104 1.00 0.20 C ATOM 631 N4 DC A 20 10.809 16.062 -4.458 1.00 0.23 N ATOM 632 C5 DC A 20 9.764 13.955 -4.034 1.00 0.23 C ATOM 633 C6 DC A 20 8.639 13.309 -3.671 1.00 0.25 C ATOM 0 H5' DC A 20 7.420 10.098 -0.842 1.00 0.23 H new ATOM 0 H5'' DC A 20 6.750 9.016 -2.047 1.00 0.23 H new ATOM 0 H4' DC A 20 5.203 10.795 -1.645 1.00 0.18 H new ATOM 0 H3' DC A 20 6.454 10.449 -4.286 1.00 0.27 H new ATOM 0 H2' DC A 20 6.336 12.618 -5.035 1.00 0.33 H new ATOM 0 H2'' DC A 20 4.713 12.796 -4.399 1.00 0.33 H new ATOM 0 H1' DC A 20 5.541 14.048 -2.684 1.00 0.25 H new ATOM 0 H41 DC A 20 11.671 15.563 -4.677 1.00 0.23 H new ATOM 0 H42 DC A 20 10.781 17.080 -4.510 1.00 0.23 H new ATOM 0 H5 DC A 20 10.670 13.413 -4.264 1.00 0.23 H new ATOM 0 H6 DC A 20 8.638 12.231 -3.608 1.00 0.25 H new ATOM 645 P DG A 21 3.141 10.895 -3.157 1.00 0.24 P ATOM 646 OP1 DG A 21 1.960 10.626 -4.007 1.00 0.28 O ATOM 647 OP2 DG A 21 3.380 12.257 -2.633 1.00 0.28 O ATOM 648 O5' DG A 21 3.111 9.872 -1.913 1.00 0.14 O ATOM 649 C5' DG A 21 1.867 9.398 -1.375 1.00 0.13 C ATOM 650 C4' DG A 21 1.700 9.755 0.095 1.00 0.15 C ATOM 651 O4' DG A 21 0.472 9.197 0.618 1.00 0.21 O ATOM 652 C3' DG A 21 2.861 9.215 0.923 1.00 0.15 C ATOM 653 O3' DG A 21 3.561 10.281 1.575 1.00 0.16 O ATOM 654 C2' DG A 21 2.247 8.285 1.932 1.00 0.23 C ATOM 655 C1' DG A 21 0.742 8.374 1.772 1.00 0.21 C ATOM 656 N9 DG A 21 0.158 7.030 1.609 1.00 0.13 N ATOM 657 C8 DG A 21 -0.294 6.165 2.548 1.00 0.12 C ATOM 658 N7 DG A 21 -0.741 5.024 2.144 1.00 0.17 N ATOM 659 C5 DG A 21 -0.575 5.125 0.760 1.00 0.11 C ATOM 660 C6 DG A 21 -0.880 4.190 -0.265 1.00 0.13 C ATOM 661 O6 DG A 21 -1.358 3.062 -0.150 1.00 0.21 O ATOM 662 N1 DG A 21 -0.560 4.687 -1.523 1.00 0.11 N ATOM 663 C2 DG A 21 -0.011 5.933 -1.767 1.00 0.16 C ATOM 664 N2 DG A 21 0.229 6.238 -3.041 1.00 0.24 N ATOM 665 N3 DG A 21 0.280 6.816 -0.807 1.00 0.19 N ATOM 666 C4 DG A 21 -0.026 6.353 0.425 1.00 0.12 C ATOM 0 H5' DG A 21 1.812 8.316 -1.492 1.00 0.13 H new ATOM 0 H5'' DG A 21 1.041 9.823 -1.946 1.00 0.13 H new ATOM 0 H4' DG A 21 1.675 10.843 0.163 1.00 0.15 H new ATOM 0 H3' DG A 21 3.591 8.701 0.298 1.00 0.15 H new ATOM 0 H2' DG A 21 2.590 7.263 1.771 1.00 0.23 H new ATOM 0 H2'' DG A 21 2.543 8.566 2.943 1.00 0.23 H new ATOM 0 H1' DG A 21 0.290 8.815 2.660 1.00 0.21 H new ATOM 0 H8 DG A 21 -0.281 6.421 3.597 1.00 0.12 H new ATOM 0 H1 DG A 21 -0.744 4.087 -2.327 1.00 0.11 H new ATOM 0 H21 DG A 21 0.633 7.143 -3.281 1.00 0.24 H new ATOM 0 H22 DG A 21 0.009 5.566 -3.776 1.00 0.24 H new ATOM 678 P DG A 22 5.081 10.080 2.068 1.00 0.17 P ATOM 679 OP1 DG A 22 5.613 11.399 2.477 1.00 0.20 O ATOM 680 OP2 DG A 22 5.796 9.279 1.049 1.00 0.18 O ATOM 681 O5' DG A 22 4.908 9.176 3.389 1.00 0.17 O ATOM 682 C5' DG A 22 4.420 9.754 4.607 1.00 0.10 C ATOM 683 C4' DG A 22 4.415 8.760 5.761 1.00 0.05 C ATOM 684 O4' DG A 22 3.621 7.597 5.428 1.00 0.07 O ATOM 685 C3' DG A 22 5.832 8.288 6.086 1.00 0.12 C ATOM 686 O3' DG A 22 6.172 8.546 7.462 1.00 0.20 O ATOM 687 C2' DG A 22 5.846 6.815 5.789 1.00 0.09 C ATOM 688 C1' DG A 22 4.413 6.394 5.549 1.00 0.09 C ATOM 689 N9 DG A 22 4.308 5.568 4.333 1.00 0.14 N ATOM 690 C8 DG A 22 4.614 5.877 3.051 1.00 0.21 C ATOM 691 N7 DG A 22 4.442 4.960 2.158 1.00 0.25 N ATOM 692 C5 DG A 22 3.959 3.898 2.928 1.00 0.21 C ATOM 693 C6 DG A 22 3.575 2.586 2.533 1.00 0.24 C ATOM 694 O6 DG A 22 3.584 2.095 1.407 1.00 0.28 O ATOM 695 N1 DG A 22 3.147 1.831 3.621 1.00 0.22 N ATOM 696 C2 DG A 22 3.095 2.284 4.929 1.00 0.20 C ATOM 697 N2 DG A 22 2.653 1.421 5.841 1.00 0.23 N ATOM 698 N3 DG A 22 3.455 3.514 5.303 1.00 0.15 N ATOM 699 C4 DG A 22 3.874 4.265 4.262 1.00 0.14 C ATOM 0 H5' DG A 22 3.408 10.128 4.449 1.00 0.10 H new ATOM 0 H5'' DG A 22 5.039 10.611 4.872 1.00 0.10 H new ATOM 0 H4' DG A 22 3.990 9.272 6.624 1.00 0.05 H new ATOM 0 H3' DG A 22 6.574 8.824 5.493 1.00 0.12 H new ATOM 0 H2' DG A 22 6.461 6.605 4.914 1.00 0.09 H new ATOM 0 H2'' DG A 22 6.276 6.259 6.622 1.00 0.09 H new ATOM 0 H1' DG A 22 4.050 5.786 6.378 1.00 0.09 H new ATOM 0 H8 DG A 22 4.988 6.854 2.785 1.00 0.21 H new ATOM 0 H1 DG A 22 2.849 0.872 3.442 1.00 0.22 H new ATOM 0 H21 DG A 22 2.593 1.700 6.820 1.00 0.23 H new ATOM 0 H22 DG A 22 2.374 0.481 5.560 1.00 0.23 H new ATOM 711 P DG A 23 5.150 8.231 8.675 1.00 0.25 P ATOM 712 OP1 DG A 23 3.778 8.579 8.242 1.00 0.27 O ATOM 713 OP2 DG A 23 5.702 8.834 9.908 1.00 0.38 O ATOM 714 O5' DG A 23 5.238 6.631 8.820 1.00 0.20 O ATOM 715 C5' DG A 23 6.393 6.018 9.408 1.00 0.16 C ATOM 716 C4' DG A 23 6.190 4.530 9.664 1.00 0.09 C ATOM 717 O4' DG A 23 5.593 3.881 8.518 1.00 0.09 O ATOM 718 C3' DG A 23 7.516 3.826 9.954 1.00 0.10 C ATOM 719 O3' DG A 23 7.493 3.208 11.245 1.00 0.17 O ATOM 720 C2' DG A 23 7.661 2.800 8.870 1.00 0.16 C ATOM 721 C1' DG A 23 6.296 2.652 8.254 1.00 0.09 C ATOM 722 N9 DG A 23 6.382 2.376 6.808 1.00 0.08 N ATOM 723 C8 DG A 23 6.789 3.179 5.793 1.00 0.07 C ATOM 724 N7 DG A 23 6.767 2.692 4.601 1.00 0.08 N ATOM 725 C5 DG A 23 6.291 1.401 4.826 1.00 0.09 C ATOM 726 C6 DG A 23 6.042 0.353 3.902 1.00 0.16 C ATOM 727 O6 DG A 23 6.193 0.369 2.680 1.00 0.23 O ATOM 728 N1 DG A 23 5.566 -0.789 4.542 1.00 0.15 N ATOM 729 C2 DG A 23 5.355 -0.906 5.902 1.00 0.09 C ATOM 730 N2 DG A 23 4.895 -2.083 6.328 1.00 0.13 N ATOM 731 N3 DG A 23 5.588 0.078 6.777 1.00 0.05 N ATOM 732 C4 DG A 23 6.052 1.197 6.177 1.00 0.04 C ATOM 0 H5' DG A 23 6.628 6.517 10.348 1.00 0.16 H new ATOM 0 H5'' DG A 23 7.251 6.158 8.750 1.00 0.16 H new ATOM 0 H4' DG A 23 5.531 4.454 10.529 1.00 0.09 H new ATOM 0 H3' DG A 23 8.353 4.524 9.965 1.00 0.10 H new ATOM 0 H2' DG A 23 8.392 3.118 8.127 1.00 0.16 H new ATOM 0 H2'' DG A 23 8.011 1.851 9.275 1.00 0.16 H new ATOM 0 HO3' DG A 23 8.350 2.762 11.410 1.00 0.17 H new ATOM 0 H1' DG A 23 5.766 1.803 8.685 1.00 0.09 H new ATOM 0 H8 DG A 23 7.120 4.190 5.978 1.00 0.07 H new ATOM 0 H1 DG A 23 5.357 -1.601 3.962 1.00 0.15 H new ATOM 0 H21 DG A 23 4.719 -2.232 7.321 1.00 0.13 H new ATOM 0 H22 DG A 23 4.719 -2.834 5.660 1.00 0.13 H new TER 745 DG A 23