USER MOD reduce.3.24.130724 H: found=0, std=0, add=147, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 147 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 30:sc= 0.00587 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.022 (180deg=-0.022) USER MOD Single : A 13 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -3.922 9.096 11.977 1.00 0.00 O ATOM 2 C5' DG A 1 -5.065 8.508 12.563 1.00 0.00 C ATOM 3 C4' DG A 1 -5.492 7.256 11.788 1.00 0.00 C ATOM 4 O4' DG A 1 -5.802 7.611 10.449 1.00 0.00 O ATOM 5 C3' DG A 1 -4.395 6.179 11.747 1.00 0.00 C ATOM 6 O3' DG A 1 -4.972 4.922 12.062 1.00 0.00 O ATOM 7 C2' DG A 1 -3.930 6.250 10.295 1.00 0.00 C ATOM 8 C1' DG A 1 -5.229 6.637 9.602 1.00 0.00 C ATOM 9 N9 DG A 1 -4.974 7.183 8.252 1.00 0.00 N ATOM 10 C8 DG A 1 -4.301 8.327 7.906 1.00 0.00 C ATOM 11 N7 DG A 1 -4.189 8.513 6.621 1.00 0.00 N ATOM 12 C5 DG A 1 -4.842 7.416 6.069 1.00 0.00 C ATOM 13 C6 DG A 1 -5.026 7.050 4.701 1.00 0.00 C ATOM 14 O6 DG A 1 -4.638 7.650 3.702 1.00 0.00 O ATOM 15 N1 DG A 1 -5.725 5.854 4.561 1.00 0.00 N ATOM 16 C2 DG A 1 -6.195 5.094 5.618 1.00 0.00 C ATOM 17 N2 DG A 1 -6.805 3.941 5.326 1.00 0.00 N ATOM 18 N3 DG A 1 -6.020 5.437 6.903 1.00 0.00 N ATOM 19 C4 DG A 1 -5.336 6.602 7.061 1.00 0.00 C ATOM 0 H5' DG A 1 -5.883 9.228 12.578 1.00 0.00 H new ATOM 0 H5'' DG A 1 -4.853 8.245 13.599 1.00 0.00 H new ATOM 0 H4' DG A 1 -6.358 6.846 12.308 1.00 0.00 H new ATOM 0 H3' DG A 1 -3.576 6.319 12.453 1.00 0.00 H new ATOM 0 H2' DG A 1 -3.145 6.992 10.148 1.00 0.00 H new ATOM 0 H2'' DG A 1 -3.539 5.297 9.939 1.00 0.00 H new ATOM 0 HO5' DG A 1 -3.919 8.915 11.014 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.888 5.782 9.451 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.899 9.014 8.635 1.00 0.00 H new ATOM 0 H1 DG A 1 -5.903 5.515 3.616 1.00 0.00 H new ATOM 0 H21 DG A 1 -7.166 3.351 6.076 1.00 0.00 H new ATOM 0 H22 DG A 1 -6.909 3.651 4.354 1.00 0.00 H new ATOM 32 P DC A 2 -4.100 3.563 12.147 1.00 0.00 P ATOM 33 OP1 DC A 2 -4.727 2.681 13.156 1.00 0.00 O ATOM 34 OP2 DC A 2 -2.673 3.932 12.285 1.00 0.00 O ATOM 35 O5' DC A 2 -4.307 2.895 10.689 1.00 0.00 O ATOM 36 C5' DC A 2 -5.546 2.318 10.316 1.00 0.00 C ATOM 37 C4' DC A 2 -5.452 1.650 8.939 1.00 0.00 C ATOM 38 O4' DC A 2 -5.194 2.610 7.929 1.00 0.00 O ATOM 39 C3' DC A 2 -4.348 0.580 8.853 1.00 0.00 C ATOM 40 O3' DC A 2 -4.928 -0.663 8.483 1.00 0.00 O ATOM 41 C2' DC A 2 -3.428 1.140 7.768 1.00 0.00 C ATOM 42 C1' DC A 2 -4.400 1.978 6.947 1.00 0.00 C ATOM 43 N1 DC A 2 -3.695 2.974 6.093 1.00 0.00 N ATOM 44 C2 DC A 2 -3.720 2.827 4.703 1.00 0.00 C ATOM 45 O2 DC A 2 -4.276 1.870 4.171 1.00 0.00 O ATOM 46 N3 DC A 2 -3.106 3.772 3.934 1.00 0.00 N ATOM 47 C4 DC A 2 -2.491 4.825 4.493 1.00 0.00 C ATOM 48 N4 DC A 2 -1.921 5.735 3.697 1.00 0.00 N ATOM 49 C5 DC A 2 -2.458 5.001 5.917 1.00 0.00 C ATOM 50 C6 DC A 2 -3.069 4.054 6.667 1.00 0.00 C ATOM 0 H5' DC A 2 -6.318 3.087 10.298 1.00 0.00 H new ATOM 0 H5'' DC A 2 -5.847 1.581 11.061 1.00 0.00 H new ATOM 0 H4' DC A 2 -6.418 1.168 8.790 1.00 0.00 H new ATOM 0 H3' DC A 2 -3.815 0.390 9.785 1.00 0.00 H new ATOM 0 H2' DC A 2 -2.620 1.741 8.185 1.00 0.00 H new ATOM 0 H2'' DC A 2 -2.965 0.351 7.175 1.00 0.00 H new ATOM 0 H1' DC A 2 -4.982 1.378 6.247 1.00 0.00 H new ATOM 0 H41 DC A 2 -1.448 6.543 4.103 1.00 0.00 H new ATOM 0 H42 DC A 2 -1.959 5.621 2.684 1.00 0.00 H new ATOM 0 H5 DC A 2 -1.968 5.850 6.370 1.00 0.00 H new ATOM 0 H6 DC A 2 -3.064 4.150 7.743 1.00 0.00 H new ATOM 62 P DA A 3 -4.064 -2.027 8.359 1.00 0.00 P ATOM 63 OP1 DA A 3 -4.958 -3.163 8.673 1.00 0.00 O ATOM 64 OP2 DA A 3 -2.802 -1.857 9.114 1.00 0.00 O ATOM 65 O5' DA A 3 -3.700 -2.092 6.788 1.00 0.00 O ATOM 66 C5' DA A 3 -4.689 -2.382 5.818 1.00 0.00 C ATOM 67 C4' DA A 3 -4.084 -2.364 4.411 1.00 0.00 C ATOM 68 O4' DA A 3 -3.591 -1.069 4.112 1.00 0.00 O ATOM 69 C3' DA A 3 -2.919 -3.356 4.229 1.00 0.00 C ATOM 70 O3' DA A 3 -3.210 -4.209 3.132 1.00 0.00 O ATOM 71 C2' DA A 3 -1.737 -2.429 3.944 1.00 0.00 C ATOM 72 C1' DA A 3 -2.442 -1.237 3.313 1.00 0.00 C ATOM 73 N9 DA A 3 -1.599 -0.023 3.329 1.00 0.00 N ATOM 74 C8 DA A 3 -1.146 0.696 4.407 1.00 0.00 C ATOM 75 N7 DA A 3 -0.452 1.755 4.094 1.00 0.00 N ATOM 76 C5 DA A 3 -0.433 1.732 2.704 1.00 0.00 C ATOM 77 C6 DA A 3 0.132 2.586 1.735 1.00 0.00 C ATOM 78 N6 DA A 3 0.796 3.706 2.040 1.00 0.00 N ATOM 79 N1 DA A 3 -0.030 2.271 0.437 1.00 0.00 N ATOM 80 C2 DA A 3 -0.712 1.177 0.112 1.00 0.00 C ATOM 81 N3 DA A 3 -1.291 0.298 0.922 1.00 0.00 N ATOM 82 C4 DA A 3 -1.115 0.639 2.228 1.00 0.00 C ATOM 0 H5' DA A 3 -5.495 -1.651 5.883 1.00 0.00 H new ATOM 0 H5'' DA A 3 -5.128 -3.359 6.019 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.891 -2.658 3.740 1.00 0.00 H new ATOM 0 H3' DA A 3 -2.729 -4.012 5.079 1.00 0.00 H new ATOM 0 H2' DA A 3 -1.200 -2.156 4.852 1.00 0.00 H new ATOM 0 H2'' DA A 3 -1.012 -2.883 3.269 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.674 -1.404 2.261 1.00 0.00 H new ATOM 0 H8 DA A 3 -1.347 0.409 5.428 1.00 0.00 H new ATOM 0 H61 DA A 3 1.184 4.287 1.297 1.00 0.00 H new ATOM 0 H62 DA A 3 0.914 3.979 3.016 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.807 0.978 -0.945 1.00 0.00 H new ATOM 94 P DT A 4 -2.216 -5.393 2.652 1.00 0.00 P ATOM 95 OP1 DT A 4 -3.044 -6.556 2.264 1.00 0.00 O ATOM 96 OP2 DT A 4 -1.148 -5.558 3.664 1.00 0.00 O ATOM 97 O5' DT A 4 -1.550 -4.778 1.316 1.00 0.00 O ATOM 98 C5' DT A 4 -2.320 -4.577 0.145 1.00 0.00 C ATOM 99 C4' DT A 4 -1.459 -4.025 -0.994 1.00 0.00 C ATOM 100 O4' DT A 4 -0.906 -2.775 -0.622 1.00 0.00 O ATOM 101 C3' DT A 4 -0.298 -4.954 -1.391 1.00 0.00 C ATOM 102 O3' DT A 4 -0.375 -5.181 -2.790 1.00 0.00 O ATOM 103 C2' DT A 4 0.930 -4.139 -0.984 1.00 0.00 C ATOM 104 C1' DT A 4 0.407 -2.713 -1.138 1.00 0.00 C ATOM 105 N1 DT A 4 1.207 -1.715 -0.373 1.00 0.00 N ATOM 106 C2 DT A 4 1.817 -0.663 -1.059 1.00 0.00 C ATOM 107 O2 DT A 4 1.746 -0.515 -2.277 1.00 0.00 O ATOM 108 N3 DT A 4 2.533 0.240 -0.285 1.00 0.00 N ATOM 109 C4 DT A 4 2.652 0.219 1.097 1.00 0.00 C ATOM 110 O4 DT A 4 3.292 1.096 1.672 1.00 0.00 O ATOM 111 C5 DT A 4 1.970 -0.890 1.738 1.00 0.00 C ATOM 112 C7 DT A 4 2.032 -1.054 3.244 1.00 0.00 C ATOM 113 C6 DT A 4 1.288 -1.799 0.999 1.00 0.00 C ATOM 0 H5' DT A 4 -3.135 -3.885 0.357 1.00 0.00 H new ATOM 0 H5'' DT A 4 -2.773 -5.520 -0.162 1.00 0.00 H new ATOM 0 H4' DT A 4 -2.126 -3.931 -1.851 1.00 0.00 H new ATOM 0 H3' DT A 4 -0.292 -5.940 -0.925 1.00 0.00 H new ATOM 0 H2' DT A 4 1.245 -4.353 0.037 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.786 -4.335 -1.630 1.00 0.00 H new ATOM 0 H1' DT A 4 0.460 -2.386 -2.176 1.00 0.00 H new ATOM 0 H3 DT A 4 3.017 0.990 -0.779 1.00 0.00 H new ATOM 0 H71 DT A 4 1.120 -1.536 3.595 1.00 0.00 H new ATOM 0 H72 DT A 4 2.892 -1.669 3.508 1.00 0.00 H new ATOM 0 H73 DT A 4 2.129 -0.075 3.713 1.00 0.00 H new ATOM 0 H6 DT A 4 0.792 -2.616 1.503 1.00 0.00 H new ATOM 126 P DC A 5 0.667 -6.120 -3.594 1.00 0.00 P ATOM 127 OP1 DC A 5 -0.030 -6.677 -4.774 1.00 0.00 O ATOM 128 OP2 DC A 5 1.322 -7.030 -2.628 1.00 0.00 O ATOM 129 O5' DC A 5 1.764 -5.053 -4.107 1.00 0.00 O ATOM 130 C5' DC A 5 1.476 -4.167 -5.173 1.00 0.00 C ATOM 131 C4' DC A 5 2.615 -3.161 -5.364 1.00 0.00 C ATOM 132 O4' DC A 5 2.900 -2.494 -4.151 1.00 0.00 O ATOM 133 C3' DC A 5 3.936 -3.783 -5.844 1.00 0.00 C ATOM 134 O3' DC A 5 4.100 -3.539 -7.233 1.00 0.00 O ATOM 135 C2' DC A 5 4.990 -3.071 -4.987 1.00 0.00 C ATOM 136 C1' DC A 5 4.196 -1.964 -4.302 1.00 0.00 C ATOM 137 N1 DC A 5 4.776 -1.519 -3.004 1.00 0.00 N ATOM 138 C2 DC A 5 5.426 -0.283 -2.949 1.00 0.00 C ATOM 139 O2 DC A 5 5.641 0.376 -3.963 1.00 0.00 O ATOM 140 N3 DC A 5 5.834 0.189 -1.738 1.00 0.00 N ATOM 141 C4 DC A 5 5.630 -0.514 -0.615 1.00 0.00 C ATOM 142 N4 DC A 5 6.051 -0.001 0.546 1.00 0.00 N ATOM 143 C5 DC A 5 4.984 -1.796 -0.646 1.00 0.00 C ATOM 144 C6 DC A 5 4.578 -2.251 -1.856 1.00 0.00 C ATOM 0 H5' DC A 5 0.546 -3.636 -4.970 1.00 0.00 H new ATOM 0 H5'' DC A 5 1.326 -4.733 -6.092 1.00 0.00 H new ATOM 0 H4' DC A 5 2.250 -2.483 -6.135 1.00 0.00 H new ATOM 0 H3' DC A 5 3.995 -4.866 -5.732 1.00 0.00 H new ATOM 0 H2' DC A 5 5.444 -3.748 -4.263 1.00 0.00 H new ATOM 0 H2'' DC A 5 5.799 -2.668 -5.597 1.00 0.00 H new ATOM 0 H1' DC A 5 4.208 -1.054 -4.902 1.00 0.00 H new ATOM 0 H41 DC A 5 5.907 -0.517 1.414 1.00 0.00 H new ATOM 0 H42 DC A 5 6.516 0.907 0.564 1.00 0.00 H new ATOM 0 H5 DC A 5 4.829 -2.372 0.255 1.00 0.00 H new ATOM 0 H6 DC A 5 4.087 -3.211 -1.921 1.00 0.00 H new ATOM 156 P DG A 6 5.269 -4.234 -8.114 1.00 0.00 P ATOM 157 OP1 DG A 6 4.915 -4.076 -9.542 1.00 0.00 O ATOM 158 OP2 DG A 6 5.523 -5.586 -7.570 1.00 0.00 O ATOM 159 O5' DG A 6 6.571 -3.329 -7.822 1.00 0.00 O ATOM 160 C5' DG A 6 6.698 -2.020 -8.344 1.00 0.00 C ATOM 161 C4' DG A 6 7.993 -1.349 -7.865 1.00 0.00 C ATOM 162 O4' DG A 6 7.970 -1.196 -6.453 1.00 0.00 O ATOM 163 C3' DG A 6 9.259 -2.143 -8.217 1.00 0.00 C ATOM 164 O3' DG A 6 10.276 -1.188 -8.486 1.00 0.00 O ATOM 165 C2' DG A 6 9.489 -2.920 -6.922 1.00 0.00 C ATOM 166 C1' DG A 6 9.086 -1.866 -5.894 1.00 0.00 C ATOM 167 N9 DG A 6 8.741 -2.395 -4.554 1.00 0.00 N ATOM 168 C8 DG A 6 8.227 -3.622 -4.209 1.00 0.00 C ATOM 169 N7 DG A 6 7.987 -3.764 -2.937 1.00 0.00 N ATOM 170 C5 DG A 6 8.374 -2.551 -2.386 1.00 0.00 C ATOM 171 C6 DG A 6 8.378 -2.130 -1.023 1.00 0.00 C ATOM 172 O6 DG A 6 8.017 -2.760 -0.032 1.00 0.00 O ATOM 173 N1 DG A 6 8.868 -0.836 -0.869 1.00 0.00 N ATOM 174 C2 DG A 6 9.295 -0.034 -1.910 1.00 0.00 C ATOM 175 N2 DG A 6 9.749 1.178 -1.578 1.00 0.00 N ATOM 176 N3 DG A 6 9.291 -0.428 -3.195 1.00 0.00 N ATOM 177 C4 DG A 6 8.827 -1.699 -3.367 1.00 0.00 C ATOM 0 H5' DG A 6 5.841 -1.420 -8.038 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.688 -2.058 -9.433 1.00 0.00 H new ATOM 0 H4' DG A 6 8.033 -0.388 -8.379 1.00 0.00 H new ATOM 0 H3' DG A 6 9.218 -2.806 -9.081 1.00 0.00 H new ATOM 0 H2' DG A 6 8.872 -3.817 -6.861 1.00 0.00 H new ATOM 0 H2'' DG A 6 10.525 -3.237 -6.807 1.00 0.00 H new ATOM 0 H1' DG A 6 9.941 -1.216 -5.709 1.00 0.00 H new ATOM 0 H8 DG A 6 8.038 -4.402 -4.931 1.00 0.00 H new ATOM 0 H1 DG A 6 8.915 -0.454 0.076 1.00 0.00 H new ATOM 0 H21 DG A 6 10.078 1.816 -2.303 1.00 0.00 H new ATOM 0 H22 DG A 6 9.766 1.466 -0.600 1.00 0.00 H new ATOM 189 P DA A 7 11.794 -1.572 -8.889 1.00 0.00 P ATOM 190 OP1 DA A 7 12.144 -0.840 -10.127 1.00 0.00 O ATOM 191 OP2 DA A 7 11.964 -3.040 -8.829 1.00 0.00 O ATOM 192 O5' DA A 7 12.612 -0.914 -7.664 1.00 0.00 O ATOM 193 C5' DA A 7 12.666 0.492 -7.494 1.00 0.00 C ATOM 194 C4' DA A 7 13.271 0.850 -6.134 1.00 0.00 C ATOM 195 O4' DA A 7 12.498 0.215 -5.125 1.00 0.00 O ATOM 196 C3' DA A 7 14.728 0.389 -5.995 1.00 0.00 C ATOM 197 O3' DA A 7 15.610 1.415 -5.544 1.00 0.00 O ATOM 198 C2' DA A 7 14.625 -0.819 -5.069 1.00 0.00 C ATOM 199 C1' DA A 7 13.344 -0.539 -4.278 1.00 0.00 C ATOM 200 N9 DA A 7 12.664 -1.787 -3.865 1.00 0.00 N ATOM 201 C8 DA A 7 12.285 -2.852 -4.644 1.00 0.00 C ATOM 202 N7 DA A 7 11.693 -3.813 -3.992 1.00 0.00 N ATOM 203 C5 DA A 7 11.682 -3.358 -2.680 1.00 0.00 C ATOM 204 C6 DA A 7 11.200 -3.914 -1.475 1.00 0.00 C ATOM 205 N6 DA A 7 10.583 -5.100 -1.419 1.00 0.00 N ATOM 206 N1 DA A 7 11.349 -3.206 -0.339 1.00 0.00 N ATOM 207 C2 DA A 7 11.936 -2.013 -0.393 1.00 0.00 C ATOM 208 N3 DA A 7 12.423 -1.380 -1.457 1.00 0.00 N ATOM 209 C4 DA A 7 12.267 -2.118 -2.590 1.00 0.00 C ATOM 0 H5' DA A 7 11.663 0.912 -7.573 1.00 0.00 H new ATOM 0 H5'' DA A 7 13.262 0.937 -8.291 1.00 0.00 H new ATOM 0 H4' DA A 7 13.260 1.936 -6.037 1.00 0.00 H new ATOM 0 H3' DA A 7 15.185 0.128 -6.949 1.00 0.00 H new ATOM 0 H2' DA A 7 14.558 -1.752 -5.629 1.00 0.00 H new ATOM 0 H2'' DA A 7 15.493 -0.901 -4.415 1.00 0.00 H new ATOM 0 H1' DA A 7 13.586 0.001 -3.363 1.00 0.00 H new ATOM 0 H8 DA A 7 12.463 -2.890 -5.709 1.00 0.00 H new ATOM 0 H61 DA A 7 10.252 -5.461 -0.524 1.00 0.00 H new ATOM 0 H62 DA A 7 10.444 -5.643 -2.271 1.00 0.00 H new ATOM 0 H2 DA A 7 12.029 -1.491 0.548 1.00 0.00 H new ATOM 221 P DC A 8 15.563 2.090 -4.070 1.00 0.00 P ATOM 222 OP1 DC A 8 16.276 1.200 -3.128 1.00 0.00 O ATOM 223 OP2 DC A 8 14.175 2.502 -3.773 1.00 0.00 O ATOM 224 O5' DC A 8 16.460 3.424 -4.265 1.00 0.00 O ATOM 225 C5' DC A 8 16.426 4.479 -3.318 1.00 0.00 C ATOM 226 C4' DC A 8 15.611 5.684 -3.825 1.00 0.00 C ATOM 227 O4' DC A 8 14.471 5.256 -4.560 1.00 0.00 O ATOM 228 C3' DC A 8 15.082 6.502 -2.641 1.00 0.00 C ATOM 229 O3' DC A 8 14.911 7.856 -3.042 1.00 0.00 O ATOM 230 C2' DC A 8 13.763 5.773 -2.413 1.00 0.00 C ATOM 231 C1' DC A 8 13.290 5.603 -3.856 1.00 0.00 C ATOM 232 N1 DC A 8 12.190 4.647 -4.181 1.00 0.00 N ATOM 233 C2 DC A 8 11.454 3.979 -3.191 1.00 0.00 C ATOM 234 O2 DC A 8 11.563 4.238 -1.996 1.00 0.00 O ATOM 235 N3 DC A 8 10.566 3.021 -3.586 1.00 0.00 N ATOM 236 C4 DC A 8 10.344 2.764 -4.881 1.00 0.00 C ATOM 237 N4 DC A 8 9.489 1.789 -5.200 1.00 0.00 N ATOM 238 C5 DC A 8 10.979 3.533 -5.911 1.00 0.00 C ATOM 239 C6 DC A 8 11.895 4.444 -5.509 1.00 0.00 C ATOM 0 H5' DC A 8 17.444 4.798 -3.094 1.00 0.00 H new ATOM 0 H5'' DC A 8 15.994 4.115 -2.386 1.00 0.00 H new ATOM 0 H4' DC A 8 16.276 6.276 -4.454 1.00 0.00 H new ATOM 0 H3' DC A 8 15.711 6.561 -1.753 1.00 0.00 H new ATOM 0 H2' DC A 8 13.899 4.818 -1.905 1.00 0.00 H new ATOM 0 H2'' DC A 8 13.064 6.356 -1.813 1.00 0.00 H new ATOM 0 H1' DC A 8 12.801 6.536 -4.134 1.00 0.00 H new ATOM 0 H41 DC A 8 9.303 1.574 -6.180 1.00 0.00 H new ATOM 0 H42 DC A 8 9.022 1.259 -4.464 1.00 0.00 H new ATOM 0 H5 DC A 8 10.738 3.392 -6.954 1.00 0.00 H new ATOM 0 H6 DC A 8 12.411 5.031 -6.255 1.00 0.00 H new ATOM 251 P DG A 9 14.207 8.978 -2.103 1.00 0.00 P ATOM 252 OP1 DG A 9 14.686 10.307 -2.542 1.00 0.00 O ATOM 253 OP2 DG A 9 14.366 8.571 -0.689 1.00 0.00 O ATOM 254 O5' DG A 9 12.643 8.857 -2.496 1.00 0.00 O ATOM 255 C5' DG A 9 12.194 9.181 -3.800 1.00 0.00 C ATOM 256 C4' DG A 9 10.764 8.679 -4.050 1.00 0.00 C ATOM 257 O4' DG A 9 10.448 7.493 -3.331 1.00 0.00 O ATOM 258 C3' DG A 9 9.659 9.707 -3.745 1.00 0.00 C ATOM 259 O3' DG A 9 9.116 10.092 -5.000 1.00 0.00 O ATOM 260 C2' DG A 9 8.707 8.913 -2.843 1.00 0.00 C ATOM 261 C1' DG A 9 9.040 7.471 -3.203 1.00 0.00 C ATOM 262 N9 DG A 9 8.571 6.490 -2.190 1.00 0.00 N ATOM 263 C8 DG A 9 8.498 6.608 -0.821 1.00 0.00 C ATOM 264 N7 DG A 9 8.108 5.527 -0.209 1.00 0.00 N ATOM 265 C5 DG A 9 7.847 4.636 -1.241 1.00 0.00 C ATOM 266 C6 DG A 9 7.330 3.308 -1.190 1.00 0.00 C ATOM 267 O6 DG A 9 7.128 2.614 -0.196 1.00 0.00 O ATOM 268 N1 DG A 9 7.027 2.807 -2.453 1.00 0.00 N ATOM 269 C2 DG A 9 7.218 3.503 -3.633 1.00 0.00 C ATOM 270 N2 DG A 9 6.763 2.939 -4.756 1.00 0.00 N ATOM 271 N3 DG A 9 7.766 4.728 -3.686 1.00 0.00 N ATOM 272 C4 DG A 9 8.057 5.241 -2.459 1.00 0.00 C ATOM 0 H5' DG A 9 12.868 8.742 -4.536 1.00 0.00 H new ATOM 0 H5'' DG A 9 12.230 10.261 -3.939 1.00 0.00 H new ATOM 0 H4' DG A 9 10.775 8.480 -5.122 1.00 0.00 H new ATOM 0 H3' DG A 9 9.948 10.632 -3.246 1.00 0.00 H new ATOM 0 H2' DG A 9 8.882 9.119 -1.787 1.00 0.00 H new ATOM 0 H2'' DG A 9 7.663 9.151 -3.045 1.00 0.00 H new ATOM 0 H1' DG A 9 8.534 7.140 -4.110 1.00 0.00 H new ATOM 0 H8 DG A 9 8.744 7.521 -0.298 1.00 0.00 H new ATOM 0 H1 DG A 9 6.639 1.866 -2.512 1.00 0.00 H new ATOM 0 H21 DG A 9 6.881 3.415 -5.650 1.00 0.00 H new ATOM 0 H22 DG A 9 6.298 2.032 -4.719 1.00 0.00 H new ATOM 284 P DA A 10 7.707 10.857 -5.191 1.00 0.00 P ATOM 285 OP1 DA A 10 7.784 11.669 -6.426 1.00 0.00 O ATOM 286 OP2 DA A 10 7.315 11.491 -3.912 1.00 0.00 O ATOM 287 O5' DA A 10 6.740 9.596 -5.473 1.00 0.00 O ATOM 288 C5' DA A 10 6.980 8.734 -6.571 1.00 0.00 C ATOM 289 C4' DA A 10 5.972 7.583 -6.599 1.00 0.00 C ATOM 290 O4' DA A 10 6.061 6.804 -5.417 1.00 0.00 O ATOM 291 C3' DA A 10 4.520 8.067 -6.731 1.00 0.00 C ATOM 292 O3' DA A 10 3.973 7.535 -7.927 1.00 0.00 O ATOM 293 C2' DA A 10 3.875 7.505 -5.465 1.00 0.00 C ATOM 294 C1' DA A 10 4.766 6.313 -5.142 1.00 0.00 C ATOM 295 N9 DA A 10 4.648 5.913 -3.721 1.00 0.00 N ATOM 296 C8 DA A 10 5.025 6.628 -2.612 1.00 0.00 C ATOM 297 N7 DA A 10 4.838 6.008 -1.481 1.00 0.00 N ATOM 298 C5 DA A 10 4.292 4.789 -1.863 1.00 0.00 C ATOM 299 C6 DA A 10 3.874 3.656 -1.134 1.00 0.00 C ATOM 300 N6 DA A 10 3.957 3.586 0.199 1.00 0.00 N ATOM 301 N1 DA A 10 3.379 2.603 -1.812 1.00 0.00 N ATOM 302 C2 DA A 10 3.301 2.669 -3.139 1.00 0.00 C ATOM 303 N3 DA A 10 3.660 3.671 -3.939 1.00 0.00 N ATOM 304 C4 DA A 10 4.159 4.722 -3.230 1.00 0.00 C ATOM 0 H5' DA A 10 7.992 8.334 -6.509 1.00 0.00 H new ATOM 0 H5'' DA A 10 6.917 9.299 -7.501 1.00 0.00 H new ATOM 0 H4' DA A 10 6.228 6.989 -7.476 1.00 0.00 H new ATOM 0 H3' DA A 10 4.380 9.145 -6.804 1.00 0.00 H new ATOM 0 H2' DA A 10 3.865 8.235 -4.656 1.00 0.00 H new ATOM 0 H2'' DA A 10 2.841 7.204 -5.635 1.00 0.00 H new ATOM 0 H1' DA A 10 4.505 5.423 -5.714 1.00 0.00 H new ATOM 0 H8 DA A 10 5.442 7.622 -2.672 1.00 0.00 H new ATOM 0 H61 DA A 10 3.643 2.747 0.686 1.00 0.00 H new ATOM 0 H62 DA A 10 4.334 4.372 0.728 1.00 0.00 H new ATOM 0 H2 DA A 10 2.894 1.798 -3.630 1.00 0.00 H new ATOM 316 P DT A 11 2.444 7.796 -8.381 1.00 0.00 P ATOM 317 OP1 DT A 11 2.387 7.765 -9.859 1.00 0.00 O ATOM 318 OP2 DT A 11 1.926 8.974 -7.649 1.00 0.00 O ATOM 319 O5' DT A 11 1.695 6.485 -7.816 1.00 0.00 O ATOM 320 C5' DT A 11 1.995 5.196 -8.317 1.00 0.00 C ATOM 321 C4' DT A 11 1.092 4.148 -7.662 1.00 0.00 C ATOM 322 O4' DT A 11 1.368 4.084 -6.273 1.00 0.00 O ATOM 323 C3' DT A 11 -0.401 4.476 -7.829 1.00 0.00 C ATOM 324 O3' DT A 11 -1.080 3.315 -8.282 1.00 0.00 O ATOM 325 C2' DT A 11 -0.806 4.875 -6.410 1.00 0.00 C ATOM 326 C1' DT A 11 0.135 3.998 -5.590 1.00 0.00 C ATOM 327 N1 DT A 11 0.296 4.446 -4.178 1.00 0.00 N ATOM 328 C2 DT A 11 -0.011 3.552 -3.150 1.00 0.00 C ATOM 329 O2 DT A 11 -0.483 2.434 -3.341 1.00 0.00 O ATOM 330 N3 DT A 11 0.239 3.995 -1.860 1.00 0.00 N ATOM 331 C4 DT A 11 0.772 5.220 -1.500 1.00 0.00 C ATOM 332 O4 DT A 11 0.989 5.477 -0.317 1.00 0.00 O ATOM 333 C5 DT A 11 1.034 6.105 -2.618 1.00 0.00 C ATOM 334 C7 DT A 11 1.544 7.506 -2.345 1.00 0.00 C ATOM 335 C6 DT A 11 0.793 5.697 -3.891 1.00 0.00 C ATOM 0 H5' DT A 11 3.041 4.957 -8.123 1.00 0.00 H new ATOM 0 H5'' DT A 11 1.859 5.178 -9.398 1.00 0.00 H new ATOM 0 H4' DT A 11 1.299 3.199 -8.156 1.00 0.00 H new ATOM 0 H3' DT A 11 -0.631 5.256 -8.555 1.00 0.00 H new ATOM 0 H2' DT A 11 -0.653 5.937 -6.219 1.00 0.00 H new ATOM 0 H2'' DT A 11 -1.855 4.662 -6.204 1.00 0.00 H new ATOM 0 H1' DT A 11 -0.259 2.985 -5.510 1.00 0.00 H new ATOM 0 H3 DT A 11 0.007 3.354 -1.101 1.00 0.00 H new ATOM 0 H71 DT A 11 2.168 7.835 -3.176 1.00 0.00 H new ATOM 0 H72 DT A 11 0.699 8.186 -2.234 1.00 0.00 H new ATOM 0 H73 DT A 11 2.133 7.507 -1.428 1.00 0.00 H new ATOM 0 H6 DT A 11 0.998 6.377 -4.705 1.00 0.00 H new ATOM 348 P DG A 12 -2.648 3.330 -8.679 1.00 0.00 P ATOM 349 OP1 DG A 12 -2.848 2.372 -9.788 1.00 0.00 O ATOM 350 OP2 DG A 12 -3.082 4.736 -8.837 1.00 0.00 O ATOM 351 O5' DG A 12 -3.359 2.735 -7.360 1.00 0.00 O ATOM 352 C5' DG A 12 -3.354 1.347 -7.083 1.00 0.00 C ATOM 353 C4' DG A 12 -4.145 1.061 -5.805 1.00 0.00 C ATOM 354 O4' DG A 12 -3.459 1.605 -4.688 1.00 0.00 O ATOM 355 C3' DG A 12 -5.558 1.675 -5.828 1.00 0.00 C ATOM 356 O3' DG A 12 -6.497 0.683 -5.435 1.00 0.00 O ATOM 357 C2' DG A 12 -5.425 2.801 -4.803 1.00 0.00 C ATOM 358 C1' DG A 12 -4.428 2.173 -3.837 1.00 0.00 C ATOM 359 N9 DG A 12 -3.809 3.148 -2.912 1.00 0.00 N ATOM 360 C8 DG A 12 -3.229 4.360 -3.191 1.00 0.00 C ATOM 361 N7 DG A 12 -2.729 4.966 -2.151 1.00 0.00 N ATOM 362 C5 DG A 12 -2.990 4.094 -1.100 1.00 0.00 C ATOM 363 C6 DG A 12 -2.684 4.210 0.289 1.00 0.00 C ATOM 364 O6 DG A 12 -2.053 5.102 0.847 1.00 0.00 O ATOM 365 N1 DG A 12 -3.201 3.155 1.039 1.00 0.00 N ATOM 366 C2 DG A 12 -3.881 2.077 0.500 1.00 0.00 C ATOM 367 N2 DG A 12 -4.337 1.147 1.346 1.00 0.00 N ATOM 368 N3 DG A 12 -4.117 1.941 -0.812 1.00 0.00 N ATOM 369 C4 DG A 12 -3.662 2.985 -1.555 1.00 0.00 C ATOM 0 H5' DG A 12 -2.329 0.995 -6.971 1.00 0.00 H new ATOM 0 H5'' DG A 12 -3.790 0.800 -7.919 1.00 0.00 H new ATOM 0 H4' DG A 12 -4.238 -0.023 -5.734 1.00 0.00 H new ATOM 0 H3' DG A 12 -5.904 2.037 -6.796 1.00 0.00 H new ATOM 0 H2' DG A 12 -5.050 3.724 -5.246 1.00 0.00 H new ATOM 0 H2'' DG A 12 -6.374 3.040 -4.323 1.00 0.00 H new ATOM 0 H1' DG A 12 -4.914 1.454 -3.178 1.00 0.00 H new ATOM 0 H8 DG A 12 -3.190 4.776 -4.187 1.00 0.00 H new ATOM 0 H1 DG A 12 -3.070 3.179 2.050 1.00 0.00 H new ATOM 0 H21 DG A 12 -4.843 0.337 0.989 1.00 0.00 H new ATOM 0 H22 DG A 12 -4.178 1.248 2.349 1.00 0.00 H new ATOM 381 P DC A 13 -8.078 0.988 -5.270 1.00 0.00 P ATOM 382 OP1 DC A 13 -8.820 -0.269 -5.511 1.00 0.00 O ATOM 383 OP2 DC A 13 -8.412 2.200 -6.051 1.00 0.00 O ATOM 384 O5' DC A 13 -8.197 1.346 -3.701 1.00 0.00 O ATOM 385 C5' DC A 13 -8.029 0.344 -2.717 1.00 0.00 C ATOM 386 C4' DC A 13 -8.101 0.931 -1.306 1.00 0.00 C ATOM 387 O4' DC A 13 -7.087 1.890 -1.082 1.00 0.00 O ATOM 388 C3' DC A 13 -9.425 1.635 -0.980 1.00 0.00 C ATOM 389 O3' DC A 13 -10.239 0.815 -0.169 1.00 0.00 O ATOM 390 C2' DC A 13 -8.989 2.887 -0.217 1.00 0.00 C ATOM 391 C1' DC A 13 -7.507 2.626 0.047 1.00 0.00 C ATOM 392 N1 DC A 13 -6.733 3.886 0.224 1.00 0.00 N ATOM 393 C2 DC A 13 -6.259 4.217 1.496 1.00 0.00 C ATOM 394 O2 DC A 13 -6.473 3.498 2.470 1.00 0.00 O ATOM 395 N3 DC A 13 -5.552 5.372 1.648 1.00 0.00 N ATOM 396 C4 DC A 13 -5.305 6.179 0.605 1.00 0.00 C ATOM 397 N4 DC A 13 -4.602 7.296 0.813 1.00 0.00 N ATOM 398 C5 DC A 13 -5.779 5.859 -0.712 1.00 0.00 C ATOM 399 C6 DC A 13 -6.483 4.710 -0.847 1.00 0.00 C ATOM 0 H5' DC A 13 -7.068 -0.150 -2.859 1.00 0.00 H new ATOM 0 H5'' DC A 13 -8.799 -0.418 -2.836 1.00 0.00 H new ATOM 0 H4' DC A 13 -7.987 0.056 -0.666 1.00 0.00 H new ATOM 0 H3' DC A 13 -10.014 1.863 -1.868 1.00 0.00 H new ATOM 0 H2' DC A 13 -9.141 3.792 -0.805 1.00 0.00 H new ATOM 0 H2'' DC A 13 -9.549 3.011 0.710 1.00 0.00 H new ATOM 0 HO3' DC A 13 -11.078 1.281 0.030 1.00 0.00 H new ATOM 0 H1' DC A 13 -7.340 2.085 0.979 1.00 0.00 H new ATOM 0 H41 DC A 13 -4.402 7.925 0.035 1.00 0.00 H new ATOM 0 H42 DC A 13 -4.266 7.520 1.750 1.00 0.00 H new ATOM 0 H5 DC A 13 -5.583 6.504 -1.556 1.00 0.00 H new ATOM 0 H6 DC A 13 -6.858 4.434 -1.822 1.00 0.00 H new TER 412 DC A 13