USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 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 32:sc= 0.076 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.764 (180deg=-2.17!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 32:sc= 0.0606 USER MOD Single : B 11 DT C7 :methyl -30:sc=-0.00389 (180deg=-0.821) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -1.01 (180deg=-2.68!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.101 -8.667 -1.287 1.00 0.00 O ATOM 2 C5' DG A 1 2.432 -9.092 -1.505 1.00 0.00 C ATOM 3 C4' DG A 1 3.421 -8.125 -0.841 1.00 0.00 C ATOM 4 O4' DG A 1 3.099 -6.783 -1.214 1.00 0.00 O ATOM 5 C3' DG A 1 3.419 -8.204 0.692 1.00 0.00 C ATOM 6 O3' DG A 1 4.761 -8.327 1.133 1.00 0.00 O ATOM 7 C2' DG A 1 2.784 -6.889 1.076 1.00 0.00 C ATOM 8 C1' DG A 1 3.196 -5.967 -0.057 1.00 0.00 C ATOM 9 N9 DG A 1 2.294 -4.798 -0.135 1.00 0.00 N ATOM 10 C8 DG A 1 0.927 -4.785 -0.239 1.00 0.00 C ATOM 11 N7 DG A 1 0.403 -3.596 -0.327 1.00 0.00 N ATOM 12 C5 DG A 1 1.504 -2.743 -0.207 1.00 0.00 C ATOM 13 C6 DG A 1 1.599 -1.308 -0.205 1.00 0.00 C ATOM 14 O6 DG A 1 0.723 -0.462 -0.376 1.00 0.00 O ATOM 15 N1 DG A 1 2.888 -0.854 0.005 1.00 0.00 N ATOM 16 C2 DG A 1 3.968 -1.665 0.175 1.00 0.00 C ATOM 17 N2 DG A 1 5.124 -1.089 0.403 1.00 0.00 N ATOM 18 N3 DG A 1 3.924 -2.997 0.146 1.00 0.00 N ATOM 19 C4 DG A 1 2.661 -3.477 -0.048 1.00 0.00 C ATOM 0 H5' DG A 1 2.632 -9.147 -2.575 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.570 -10.096 -1.103 1.00 0.00 H new ATOM 0 H4' DG A 1 4.412 -8.417 -1.188 1.00 0.00 H new ATOM 0 H3' DG A 1 2.886 -9.048 1.130 1.00 0.00 H new ATOM 0 H2' DG A 1 1.700 -6.972 1.155 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.147 -6.532 2.040 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.073 -7.688 -1.242 1.00 0.00 H new ATOM 0 H1' DG A 1 4.197 -5.554 0.071 1.00 0.00 H new ATOM 0 H8 DG A 1 0.333 -5.687 -0.247 1.00 0.00 H new ATOM 0 H1 DG A 1 3.040 0.154 0.034 1.00 0.00 H new ATOM 0 H21 DG A 1 5.960 -1.658 0.536 1.00 0.00 H new ATOM 0 H22 DG A 1 5.187 -0.072 0.447 1.00 0.00 H new ATOM 32 P DT A 2 5.158 -8.501 2.688 1.00 0.00 P ATOM 33 OP1 DT A 2 6.217 -9.528 2.775 1.00 0.00 O ATOM 34 OP2 DT A 2 3.916 -8.636 3.479 1.00 0.00 O ATOM 35 O5' DT A 2 5.806 -7.062 3.011 1.00 0.00 O ATOM 36 C5' DT A 2 7.011 -6.657 2.379 1.00 0.00 C ATOM 37 C4' DT A 2 7.546 -5.321 2.911 1.00 0.00 C ATOM 38 O4' DT A 2 6.622 -4.279 2.628 1.00 0.00 O ATOM 39 C3' DT A 2 7.814 -5.326 4.420 1.00 0.00 C ATOM 40 O3' DT A 2 9.005 -4.595 4.668 1.00 0.00 O ATOM 41 C2' DT A 2 6.572 -4.642 4.967 1.00 0.00 C ATOM 42 C1' DT A 2 6.245 -3.656 3.843 1.00 0.00 C ATOM 43 N1 DT A 2 4.810 -3.265 3.765 1.00 0.00 N ATOM 44 C2 DT A 2 4.511 -1.904 3.639 1.00 0.00 C ATOM 45 O2 DT A 2 5.353 -1.012 3.676 1.00 0.00 O ATOM 46 N3 DT A 2 3.188 -1.578 3.446 1.00 0.00 N ATOM 47 C4 DT A 2 2.138 -2.469 3.370 1.00 0.00 C ATOM 48 O4 DT A 2 1.018 -2.035 3.123 1.00 0.00 O ATOM 49 C5 DT A 2 2.505 -3.868 3.577 1.00 0.00 C ATOM 50 C7 DT A 2 1.433 -4.949 3.581 1.00 0.00 C ATOM 51 C6 DT A 2 3.806 -4.215 3.752 1.00 0.00 C ATOM 0 H5' DT A 2 6.842 -6.573 1.306 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.768 -7.428 2.523 1.00 0.00 H new ATOM 0 H4' DT A 2 8.497 -5.158 2.404 1.00 0.00 H new ATOM 0 H3' DT A 2 7.969 -6.305 4.875 1.00 0.00 H new ATOM 0 H2' DT A 2 5.760 -5.347 5.143 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.766 -4.136 5.913 1.00 0.00 H new ATOM 0 H1' DT A 2 6.789 -2.732 4.041 1.00 0.00 H new ATOM 0 H3 DT A 2 2.964 -0.588 3.350 1.00 0.00 H new ATOM 0 H71 DT A 2 0.495 -4.530 3.944 1.00 0.00 H new ATOM 0 H72 DT A 2 1.294 -5.327 2.568 1.00 0.00 H new ATOM 0 H73 DT A 2 1.742 -5.766 4.233 1.00 0.00 H new ATOM 0 H6 DT A 2 4.062 -5.256 3.884 1.00 0.00 H new ATOM 64 P DA A 3 9.684 -4.533 6.131 1.00 0.00 P ATOM 65 OP1 DA A 3 11.133 -4.298 5.949 1.00 0.00 O ATOM 66 OP2 DA A 3 9.215 -5.696 6.912 1.00 0.00 O ATOM 67 O5' DA A 3 9.025 -3.200 6.753 1.00 0.00 O ATOM 68 C5' DA A 3 9.434 -1.917 6.308 1.00 0.00 C ATOM 69 C4' DA A 3 8.763 -0.772 7.076 1.00 0.00 C ATOM 70 O4' DA A 3 7.423 -0.607 6.628 1.00 0.00 O ATOM 71 C3' DA A 3 8.742 -0.971 8.599 1.00 0.00 C ATOM 72 O3' DA A 3 9.259 0.206 9.198 1.00 0.00 O ATOM 73 C2' DA A 3 7.253 -1.179 8.871 1.00 0.00 C ATOM 74 C1' DA A 3 6.593 -0.378 7.750 1.00 0.00 C ATOM 75 N9 DA A 3 5.212 -0.818 7.429 1.00 0.00 N ATOM 76 C8 DA A 3 4.722 -2.099 7.335 1.00 0.00 C ATOM 77 N7 DA A 3 3.476 -2.178 6.959 1.00 0.00 N ATOM 78 C5 DA A 3 3.104 -0.836 6.819 1.00 0.00 C ATOM 79 C6 DA A 3 1.913 -0.179 6.435 1.00 0.00 C ATOM 80 N6 DA A 3 0.818 -0.820 6.068 1.00 0.00 N ATOM 81 N1 DA A 3 1.844 1.158 6.407 1.00 0.00 N ATOM 82 C2 DA A 3 2.939 1.841 6.736 1.00 0.00 C ATOM 83 N3 DA A 3 4.130 1.362 7.088 1.00 0.00 N ATOM 84 C4 DA A 3 4.150 -0.001 7.112 1.00 0.00 C ATOM 0 H5' DA A 3 9.206 -1.817 5.247 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.516 -1.831 6.411 1.00 0.00 H new ATOM 0 H4' DA A 3 9.366 0.113 6.872 1.00 0.00 H new ATOM 0 H3' DA A 3 9.339 -1.795 8.990 1.00 0.00 H new ATOM 0 H2' DA A 3 6.977 -2.233 8.832 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.966 -0.810 9.856 1.00 0.00 H new ATOM 0 H1' DA A 3 6.499 0.668 8.043 1.00 0.00 H new ATOM 0 H8 DA A 3 5.321 -2.970 7.555 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.015 -0.295 5.800 1.00 0.00 H new ATOM 0 H62 DA A 3 0.805 -1.840 6.052 1.00 0.00 H new ATOM 0 H2 DA A 3 2.850 2.917 6.715 1.00 0.00 H new ATOM 96 P DC A 4 9.366 0.419 10.797 1.00 0.00 P ATOM 97 OP1 DC A 4 10.629 1.132 11.086 1.00 0.00 O ATOM 98 OP2 DC A 4 9.048 -0.853 11.483 1.00 0.00 O ATOM 99 O5' DC A 4 8.141 1.439 11.010 1.00 0.00 O ATOM 100 C5' DC A 4 8.174 2.710 10.380 1.00 0.00 C ATOM 101 C4' DC A 4 6.859 3.477 10.522 1.00 0.00 C ATOM 102 O4' DC A 4 5.815 2.697 9.960 1.00 0.00 O ATOM 103 C3' DC A 4 6.495 3.814 11.972 1.00 0.00 C ATOM 104 O3' DC A 4 6.207 5.202 12.036 1.00 0.00 O ATOM 105 C2' DC A 4 5.252 2.974 12.227 1.00 0.00 C ATOM 106 C1' DC A 4 4.695 2.770 10.815 1.00 0.00 C ATOM 107 N1 DC A 4 3.877 1.535 10.658 1.00 0.00 N ATOM 108 C2 DC A 4 2.604 1.643 10.091 1.00 0.00 C ATOM 109 O2 DC A 4 2.140 2.726 9.735 1.00 0.00 O ATOM 110 N3 DC A 4 1.835 0.539 9.927 1.00 0.00 N ATOM 111 C4 DC A 4 2.282 -0.633 10.341 1.00 0.00 C ATOM 112 N4 DC A 4 1.489 -1.656 10.145 1.00 0.00 N ATOM 113 C5 DC A 4 3.568 -0.803 10.930 1.00 0.00 C ATOM 114 C6 DC A 4 4.349 0.303 11.052 1.00 0.00 C ATOM 0 H5' DC A 4 8.401 2.580 9.322 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.983 3.302 10.809 1.00 0.00 H new ATOM 0 H4' DC A 4 6.988 4.425 10.000 1.00 0.00 H new ATOM 0 H3' DC A 4 7.276 3.608 12.704 1.00 0.00 H new ATOM 0 H2' DC A 4 5.494 2.027 12.709 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.541 3.488 12.874 1.00 0.00 H new ATOM 0 H1' DC A 4 4.023 3.596 10.582 1.00 0.00 H new ATOM 0 H41 DC A 4 1.776 -2.588 10.442 1.00 0.00 H new ATOM 0 H42 DC A 4 0.584 -1.521 9.695 1.00 0.00 H new ATOM 0 H5 DC A 4 3.909 -1.771 11.266 1.00 0.00 H new ATOM 0 H6 DC A 4 5.345 0.215 11.460 1.00 0.00 H new HETATM 126 P NCX A 5 6.258 6.018 13.426 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.509 7.442 13.114 1.00 0.00 O HETATM 128 OP2 NCX A 5 7.150 5.300 14.363 1.00 0.00 O HETATM 129 O5' NCX A 5 4.750 5.872 13.958 1.00 0.00 O HETATM 130 C5' NCX A 5 3.706 6.673 13.430 1.00 0.00 C HETATM 131 C4' NCX A 5 2.379 6.439 14.162 1.00 0.00 C HETATM 132 O4' NCX A 5 1.754 5.252 13.692 1.00 0.00 O HETATM 133 C1' NCX A 5 1.359 4.483 14.814 1.00 0.00 C HETATM 134 N9 NCX A 5 1.264 3.061 14.420 1.00 0.00 N HETATM 135 C8 NCX A 5 2.144 2.005 14.670 1.00 0.00 C HETATM 136 C7 NCX A 5 1.579 0.825 14.189 1.00 0.00 C HETATM 137 CO7 NCX A 5 2.184 -0.519 14.197 1.00 0.00 C HETATM 138 O7 NCX A 5 1.727 -1.535 13.730 1.00 0.00 O HETATM 139 NH7 NCX A 5 3.376 -0.593 14.784 1.00 0.00 N HETATM 140 C5 NCX A 5 0.314 1.197 13.652 1.00 0.00 C HETATM 141 C4 NCX A 5 0.191 2.545 13.790 1.00 0.00 C HETATM 142 C3 NCX A 5 -0.923 3.234 13.329 1.00 0.00 C HETATM 143 C2 NCX A 5 -1.925 2.501 12.699 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.816 1.106 12.551 1.00 0.00 C HETATM 145 N1 NCX A 5 -2.866 0.356 11.816 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.557 -0.737 11.380 1.00 0.00 O HETATM 147 O12 NCX A 5 -3.958 0.880 11.672 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.695 0.433 13.072 1.00 0.00 C HETATM 149 C3' NCX A 5 2.544 6.309 15.682 1.00 0.00 C HETATM 150 C2' NCX A 5 2.388 4.809 15.893 1.00 0.00 C HETATM 151 O3' NCX A 5 1.500 7.042 16.292 1.00 0.00 O HETATM 0 HH72 NCX A 5 3.865 -1.486 14.834 1.00 0.00 H new HETATM 0 HH71 NCX A 5 3.800 0.244 15.184 1.00 0.00 H new HETATM 0 H5'' NCX A 5 3.982 7.725 13.506 1.00 0.00 H new HETATM 0 H2'' NCX A 5 2.031 4.566 16.894 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.114 2.090 15.161 1.00 0.00 H new HETATM 0 H6 NCX A 5 -0.619 -0.653 13.023 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.580 6.452 12.370 1.00 0.00 H new HETATM 0 H4' NCX A 5 1.768 7.317 13.953 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.479 6.686 16.097 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.010 4.313 13.456 1.00 0.00 H new HETATM 0 H2' NCX A 5 3.325 4.270 15.749 1.00 0.00 H new HETATM 0 H2 NCX A 5 -2.806 3.015 12.315 1.00 0.00 H new HETATM 0 H1' NCX A 5 0.368 4.712 15.206 1.00 0.00 H new ATOM 165 P DA A 6 1.585 7.567 17.810 1.00 0.00 P ATOM 166 OP1 DA A 6 2.063 8.965 17.807 1.00 0.00 O ATOM 167 OP2 DA A 6 2.250 6.540 18.638 1.00 0.00 O ATOM 168 O5' DA A 6 0.030 7.549 18.189 1.00 0.00 O ATOM 169 C5' DA A 6 -0.911 8.364 17.511 1.00 0.00 C ATOM 170 C4' DA A 6 -2.346 7.865 17.738 1.00 0.00 C ATOM 171 O4' DA A 6 -2.468 6.547 17.217 1.00 0.00 O ATOM 172 C3' DA A 6 -2.765 7.818 19.210 1.00 0.00 C ATOM 173 O3' DA A 6 -4.167 8.056 19.289 1.00 0.00 O ATOM 174 C2' DA A 6 -2.374 6.396 19.587 1.00 0.00 C ATOM 175 C1' DA A 6 -2.629 5.630 18.289 1.00 0.00 C ATOM 176 N9 DA A 6 -1.768 4.439 18.073 1.00 0.00 N ATOM 177 C8 DA A 6 -0.425 4.237 18.303 1.00 0.00 C ATOM 178 N7 DA A 6 0.006 3.051 17.947 1.00 0.00 N ATOM 179 C5 DA A 6 -1.139 2.422 17.443 1.00 0.00 C ATOM 180 C6 DA A 6 -1.429 1.163 16.856 1.00 0.00 C ATOM 181 N6 DA A 6 -0.564 0.182 16.634 1.00 0.00 N ATOM 182 N1 DA A 6 -2.665 0.882 16.441 1.00 0.00 N ATOM 183 C2 DA A 6 -3.611 1.795 16.620 1.00 0.00 C ATOM 184 N3 DA A 6 -3.492 3.004 17.144 1.00 0.00 N ATOM 185 C4 DA A 6 -2.217 3.263 17.532 1.00 0.00 C ATOM 0 H5' DA A 6 -0.690 8.368 16.444 1.00 0.00 H new ATOM 0 H5'' DA A 6 -0.822 9.393 17.859 1.00 0.00 H new ATOM 0 H4' DA A 6 -2.995 8.580 17.233 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.310 8.556 19.870 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.332 6.331 19.899 1.00 0.00 H new ATOM 0 H2'' DA A 6 -2.978 6.013 20.410 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.639 5.225 18.349 1.00 0.00 H new ATOM 0 H8 DA A 6 0.216 4.989 18.738 1.00 0.00 H new ATOM 0 H61 DA A 6 -0.879 -0.688 16.204 1.00 0.00 H new ATOM 0 H62 DA A 6 0.416 0.298 16.893 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.603 1.516 16.297 1.00 0.00 H new ATOM 197 P DC A 7 -4.982 8.045 20.685 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.164 8.923 20.539 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.023 8.269 21.788 1.00 0.00 O ATOM 200 O5' DC A 7 -5.494 6.516 20.764 1.00 0.00 O ATOM 201 C5' DC A 7 -6.503 6.041 19.887 1.00 0.00 C ATOM 202 C4' DC A 7 -6.765 4.535 20.041 1.00 0.00 C ATOM 203 O4' DC A 7 -5.589 3.777 19.753 1.00 0.00 O ATOM 204 C3' DC A 7 -7.239 4.125 21.444 1.00 0.00 C ATOM 205 O3' DC A 7 -8.280 3.174 21.294 1.00 0.00 O ATOM 206 C2' DC A 7 -5.957 3.560 22.016 1.00 0.00 C ATOM 207 C1' DC A 7 -5.420 2.822 20.788 1.00 0.00 C ATOM 208 N1 DC A 7 -3.995 2.409 20.917 1.00 0.00 N ATOM 209 C2 DC A 7 -3.638 1.069 20.711 1.00 0.00 C ATOM 210 O2 DC A 7 -4.468 0.220 20.391 1.00 0.00 O ATOM 211 N3 DC A 7 -2.352 0.670 20.901 1.00 0.00 N ATOM 212 C4 DC A 7 -1.457 1.548 21.318 1.00 0.00 C ATOM 213 N4 DC A 7 -0.235 1.119 21.511 1.00 0.00 N ATOM 214 C5 DC A 7 -1.777 2.909 21.581 1.00 0.00 C ATOM 215 C6 DC A 7 -3.051 3.303 21.346 1.00 0.00 C ATOM 0 H5' DC A 7 -6.212 6.251 18.858 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.428 6.587 20.075 1.00 0.00 H new ATOM 0 H4' DC A 7 -7.563 4.322 19.329 1.00 0.00 H new ATOM 0 H3' DC A 7 -7.660 4.901 22.084 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.278 4.338 22.364 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.136 2.892 22.859 1.00 0.00 H new ATOM 0 H1' DC A 7 -5.942 1.880 20.617 1.00 0.00 H new ATOM 0 H41 DC A 7 0.487 1.764 21.833 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.005 0.140 21.340 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.034 3.599 21.953 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.326 4.336 21.499 1.00 0.00 H new ATOM 227 P DG A 8 -9.134 2.602 22.535 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.573 2.766 22.236 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.571 3.115 23.802 1.00 0.00 O ATOM 230 O5' DG A 8 -8.775 1.043 22.427 1.00 0.00 O ATOM 231 C5' DG A 8 -9.161 0.289 21.288 1.00 0.00 C ATOM 232 C4' DG A 8 -8.904 -1.209 21.487 1.00 0.00 C ATOM 233 O4' DG A 8 -7.505 -1.439 21.525 1.00 0.00 O ATOM 234 C3' DG A 8 -9.514 -1.739 22.797 1.00 0.00 C ATOM 235 O3' DG A 8 -9.991 -3.070 22.662 1.00 0.00 O ATOM 236 C2' DG A 8 -8.318 -1.722 23.737 1.00 0.00 C ATOM 237 C1' DG A 8 -7.172 -2.014 22.774 1.00 0.00 C ATOM 238 N9 DG A 8 -5.889 -1.477 23.263 1.00 0.00 N ATOM 239 C8 DG A 8 -5.520 -0.171 23.449 1.00 0.00 C ATOM 240 N7 DG A 8 -4.284 -0.020 23.850 1.00 0.00 N ATOM 241 C5 DG A 8 -3.804 -1.332 23.945 1.00 0.00 C ATOM 242 C6 DG A 8 -2.513 -1.861 24.297 1.00 0.00 C ATOM 243 O6 DG A 8 -1.474 -1.275 24.594 1.00 0.00 O ATOM 244 N1 DG A 8 -2.464 -3.244 24.275 1.00 0.00 N ATOM 245 C2 DG A 8 -3.516 -4.044 23.951 1.00 0.00 C ATOM 246 N2 DG A 8 -3.308 -5.339 23.930 1.00 0.00 N ATOM 247 N3 DG A 8 -4.728 -3.595 23.628 1.00 0.00 N ATOM 248 C4 DG A 8 -4.803 -2.230 23.630 1.00 0.00 C ATOM 0 H5' DG A 8 -8.610 0.640 20.415 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.219 0.453 21.084 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.374 -1.733 20.655 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.370 -1.151 23.129 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.201 -0.759 24.235 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.400 -2.477 24.519 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.369 -3.370 23.515 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.041 -3.092 22.684 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.189 0.659 23.280 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.581 -3.693 24.518 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.070 -5.974 23.692 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.384 -5.711 24.152 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.871 -8.740 25.622 1.00 0.00 O ATOM 263 C5' DC B 9 3.972 -9.766 25.993 1.00 0.00 C ATOM 264 C4' DC B 9 2.607 -9.548 25.327 1.00 0.00 C ATOM 265 O4' DC B 9 2.171 -8.213 25.568 1.00 0.00 O ATOM 266 C3' DC B 9 2.617 -9.762 23.806 1.00 0.00 C ATOM 267 O3' DC B 9 1.552 -10.641 23.486 1.00 0.00 O ATOM 268 C2' DC B 9 2.385 -8.359 23.263 1.00 0.00 C ATOM 269 C1' DC B 9 1.551 -7.745 24.383 1.00 0.00 C ATOM 270 N1 DC B 9 1.500 -6.254 24.374 1.00 0.00 N ATOM 271 C2 DC B 9 0.251 -5.624 24.440 1.00 0.00 C ATOM 272 O2 DC B 9 -0.797 -6.267 24.490 1.00 0.00 O ATOM 273 N3 DC B 9 0.164 -4.271 24.463 1.00 0.00 N ATOM 274 C4 DC B 9 1.269 -3.549 24.381 1.00 0.00 C ATOM 275 N4 DC B 9 1.119 -2.248 24.402 1.00 0.00 N ATOM 276 C5 DC B 9 2.570 -4.133 24.327 1.00 0.00 C ATOM 277 C6 DC B 9 2.645 -5.489 24.332 1.00 0.00 C ATOM 0 H5' DC B 9 3.856 -9.783 27.077 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.376 -10.735 25.701 1.00 0.00 H new ATOM 0 H4' DC B 9 1.939 -10.290 25.765 1.00 0.00 H new ATOM 0 H3' DC B 9 3.527 -10.203 23.398 1.00 0.00 H new ATOM 0 H2' DC B 9 3.319 -7.820 23.102 1.00 0.00 H new ATOM 0 H2'' DC B 9 1.854 -8.368 22.311 1.00 0.00 H new ATOM 0 HO5' DC B 9 4.375 -7.908 25.474 1.00 0.00 H new ATOM 0 H1' DC B 9 0.506 -8.038 24.277 1.00 0.00 H new ATOM 0 H41 DC B 9 1.935 -1.639 24.342 1.00 0.00 H new ATOM 0 H42 DC B 9 0.186 -1.843 24.478 1.00 0.00 H new ATOM 0 H5 DC B 9 3.459 -3.521 24.284 1.00 0.00 H new ATOM 0 H6 DC B 9 3.611 -5.972 24.303 1.00 0.00 H new ATOM 290 P DG B 10 1.337 -11.225 21.996 1.00 0.00 P ATOM 291 OP1 DG B 10 0.749 -12.576 22.121 1.00 0.00 O ATOM 292 OP2 DG B 10 2.590 -11.025 21.238 1.00 0.00 O ATOM 293 O5' DG B 10 0.214 -10.228 21.407 1.00 0.00 O ATOM 294 C5' DG B 10 -1.122 -10.289 21.880 1.00 0.00 C ATOM 295 C4' DG B 10 -2.064 -9.324 21.147 1.00 0.00 C ATOM 296 O4' DG B 10 -1.823 -7.995 21.586 1.00 0.00 O ATOM 297 C3' DG B 10 -1.951 -9.345 19.615 1.00 0.00 C ATOM 298 O3' DG B 10 -3.267 -9.347 19.080 1.00 0.00 O ATOM 299 C2' DG B 10 -1.215 -8.043 19.337 1.00 0.00 C ATOM 300 C1' DG B 10 -1.790 -7.168 20.441 1.00 0.00 C ATOM 301 N9 DG B 10 -0.974 -5.970 20.702 1.00 0.00 N ATOM 302 C8 DG B 10 0.386 -5.863 20.836 1.00 0.00 C ATOM 303 N7 DG B 10 0.804 -4.652 21.080 1.00 0.00 N ATOM 304 C5 DG B 10 -0.368 -3.888 21.049 1.00 0.00 C ATOM 305 C6 DG B 10 -0.590 -2.474 21.172 1.00 0.00 C ATOM 306 O6 DG B 10 0.219 -1.572 21.368 1.00 0.00 O ATOM 307 N1 DG B 10 -1.918 -2.115 21.016 1.00 0.00 N ATOM 308 C2 DG B 10 -2.927 -2.993 20.761 1.00 0.00 C ATOM 309 N2 DG B 10 -4.121 -2.501 20.538 1.00 0.00 N ATOM 310 N3 DG B 10 -2.759 -4.308 20.649 1.00 0.00 N ATOM 311 C4 DG B 10 -1.458 -4.693 20.804 1.00 0.00 C ATOM 0 H5' DG B 10 -1.135 -10.061 22.946 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.495 -11.307 21.768 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.068 -9.668 21.394 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.440 -10.205 19.181 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.133 -8.152 19.414 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.426 -7.650 18.342 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.773 -6.792 20.157 1.00 0.00 H new ATOM 0 H8 DG B 10 1.053 -6.708 20.747 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.156 -1.127 21.098 1.00 0.00 H new ATOM 0 H21 DG B 10 -4.902 -3.127 20.343 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.269 -1.492 20.559 1.00 0.00 H new ATOM 323 P DT B 11 -3.564 -9.381 17.494 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.672 -10.332 17.261 1.00 0.00 O ATOM 325 OP2 DT B 11 -2.283 -9.540 16.773 1.00 0.00 O ATOM 326 O5' DT B 11 -4.102 -7.882 17.233 1.00 0.00 O ATOM 327 C5' DT B 11 -5.396 -7.487 17.670 1.00 0.00 C ATOM 328 C4' DT B 11 -5.873 -6.183 17.014 1.00 0.00 C ATOM 329 O4' DT B 11 -5.210 -5.084 17.638 1.00 0.00 O ATOM 330 C3' DT B 11 -5.657 -6.183 15.505 1.00 0.00 C ATOM 331 O3' DT B 11 -6.850 -5.859 14.804 1.00 0.00 O ATOM 332 C2' DT B 11 -4.652 -5.069 15.351 1.00 0.00 C ATOM 333 C1' DT B 11 -4.476 -4.349 16.680 1.00 0.00 C ATOM 334 N1 DT B 11 -3.066 -4.105 17.107 1.00 0.00 N ATOM 335 C2 DT B 11 -2.757 -2.809 17.542 1.00 0.00 C ATOM 336 O2 DT B 11 -3.583 -1.908 17.636 1.00 0.00 O ATOM 337 N3 DT B 11 -1.440 -2.536 17.831 1.00 0.00 N ATOM 338 C4 DT B 11 -0.383 -3.397 17.637 1.00 0.00 C ATOM 339 O4 DT B 11 0.751 -2.989 17.861 1.00 0.00 O ATOM 340 C5 DT B 11 -0.761 -4.732 17.176 1.00 0.00 C ATOM 341 C7 DT B 11 0.314 -5.771 16.921 1.00 0.00 C ATOM 342 C6 DT B 11 -2.066 -5.045 16.943 1.00 0.00 C ATOM 0 H5' DT B 11 -5.386 -7.361 18.753 1.00 0.00 H new ATOM 0 H5'' DT B 11 -6.108 -8.282 17.448 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.949 -6.090 17.161 1.00 0.00 H new ATOM 0 H3' DT B 11 -5.342 -7.149 15.111 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.696 -5.472 15.016 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.987 -4.367 14.588 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.854 -3.333 16.569 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.229 -1.618 18.222 1.00 0.00 H new ATOM 0 H71 DT B 11 1.233 -5.275 16.610 1.00 0.00 H new ATOM 0 H72 DT B 11 0.498 -6.336 17.835 1.00 0.00 H new ATOM 0 H73 DT B 11 -0.016 -6.450 16.135 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.324 -6.044 16.625 1.00 0.00 H new ATOM 355 P DT B 12 -7.006 -6.171 13.220 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.235 -6.970 13.026 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.709 -6.662 12.702 1.00 0.00 O ATOM 358 O5' DT B 12 -7.244 -4.717 12.588 1.00 0.00 O ATOM 359 C5' DT B 12 -8.492 -4.057 12.710 1.00 0.00 C ATOM 360 C4' DT B 12 -8.422 -2.598 12.238 1.00 0.00 C ATOM 361 O4' DT B 12 -7.470 -1.922 13.039 1.00 0.00 O ATOM 362 C3' DT B 12 -8.014 -2.403 10.775 1.00 0.00 C ATOM 363 O3' DT B 12 -8.644 -1.232 10.269 1.00 0.00 O ATOM 364 C2' DT B 12 -6.502 -2.253 10.890 1.00 0.00 C ATOM 365 C1' DT B 12 -6.320 -1.598 12.271 1.00 0.00 C ATOM 366 N1 DT B 12 -5.096 -1.950 13.069 1.00 0.00 N ATOM 367 C2 DT B 12 -4.756 -1.028 14.072 1.00 0.00 C ATOM 368 O2 DT B 12 -5.467 -0.092 14.424 1.00 0.00 O ATOM 369 N3 DT B 12 -3.530 -1.182 14.674 1.00 0.00 N ATOM 370 C4 DT B 12 -2.552 -2.077 14.314 1.00 0.00 C ATOM 371 O4 DT B 12 -1.472 -2.012 14.894 1.00 0.00 O ATOM 372 C5 DT B 12 -2.942 -3.006 13.256 1.00 0.00 C ATOM 373 C7 DT B 12 -1.933 -4.004 12.700 1.00 0.00 C ATOM 374 C6 DT B 12 -4.195 -2.952 12.717 1.00 0.00 C ATOM 0 H5' DT B 12 -8.817 -4.086 13.750 1.00 0.00 H new ATOM 0 H5'' DT B 12 -9.242 -4.591 12.127 1.00 0.00 H new ATOM 0 H4' DT B 12 -9.435 -2.206 12.331 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.300 -3.204 10.094 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.996 -3.216 10.831 1.00 0.00 H new ATOM 0 H2'' DT B 12 -6.097 -1.631 10.092 1.00 0.00 H new ATOM 0 H1' DT B 12 -6.184 -0.537 12.062 1.00 0.00 H new ATOM 0 H3 DT B 12 -3.326 -0.572 15.466 1.00 0.00 H new ATOM 0 H71 DT B 12 -2.455 -4.900 12.365 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.404 -3.556 11.859 1.00 0.00 H new ATOM 0 H73 DT B 12 -1.218 -4.270 13.478 1.00 0.00 H new ATOM 0 H6 DT B 12 -4.494 -3.703 12.001 1.00 0.00 H new ATOM 387 P DG B 13 -8.871 -0.989 8.686 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.323 -0.846 8.448 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.094 -1.999 7.937 1.00 0.00 O ATOM 390 O5' DG B 13 -8.172 0.436 8.423 1.00 0.00 O ATOM 391 C5' DG B 13 -8.706 1.633 8.962 1.00 0.00 C ATOM 392 C4' DG B 13 -7.780 2.839 8.731 1.00 0.00 C ATOM 393 O4' DG B 13 -6.506 2.550 9.299 1.00 0.00 O ATOM 394 C3' DG B 13 -7.565 3.234 7.261 1.00 0.00 C ATOM 395 O3' DG B 13 -7.420 4.647 7.174 1.00 0.00 O ATOM 396 C2' DG B 13 -6.294 2.484 6.944 1.00 0.00 C ATOM 397 C1' DG B 13 -5.539 2.505 8.263 1.00 0.00 C ATOM 398 N9 DG B 13 -4.650 1.327 8.359 1.00 0.00 N ATOM 399 C8 DG B 13 -4.927 -0.002 8.145 1.00 0.00 C ATOM 400 N7 DG B 13 -3.880 -0.780 8.178 1.00 0.00 N ATOM 401 C5 DG B 13 -2.823 0.098 8.433 1.00 0.00 C ATOM 402 C6 DG B 13 -1.417 -0.130 8.622 1.00 0.00 C ATOM 403 O6 DG B 13 -0.784 -1.185 8.640 1.00 0.00 O ATOM 404 N1 DG B 13 -0.706 1.036 8.844 1.00 0.00 N ATOM 405 C2 DG B 13 -1.267 2.271 8.937 1.00 0.00 C ATOM 406 N2 DG B 13 -0.474 3.282 9.194 1.00 0.00 N ATOM 407 N3 DG B 13 -2.562 2.521 8.774 1.00 0.00 N ATOM 408 C4 DG B 13 -3.291 1.390 8.534 1.00 0.00 C ATOM 0 H5' DG B 13 -8.873 1.505 10.032 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.678 1.831 8.509 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.280 3.685 9.203 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.374 2.993 6.572 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.499 1.466 6.614 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.728 2.969 6.149 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.891 3.378 8.344 1.00 0.00 H new ATOM 0 H8 DG B 13 -5.926 -0.371 7.965 1.00 0.00 H new ATOM 0 H1 DG B 13 0.306 0.964 8.945 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.857 4.224 9.271 1.00 0.00 H new ATOM 0 H22 DG B 13 0.527 3.127 9.317 1.00 0.00 H new ATOM 420 P DT B 14 -7.164 5.432 5.780 1.00 0.00 P ATOM 421 OP1 DT B 14 -8.006 6.646 5.775 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.251 4.466 4.662 1.00 0.00 O ATOM 423 O5' DT B 14 -5.621 5.889 5.915 1.00 0.00 O ATOM 424 C5' DT B 14 -5.231 6.833 6.902 1.00 0.00 C ATOM 425 C4' DT B 14 -3.747 7.224 6.827 1.00 0.00 C ATOM 426 O4' DT B 14 -2.935 6.077 7.046 1.00 0.00 O ATOM 427 C3' DT B 14 -3.324 7.858 5.494 1.00 0.00 C ATOM 428 O3' DT B 14 -2.390 8.898 5.752 1.00 0.00 O ATOM 429 C2' DT B 14 -2.703 6.678 4.768 1.00 0.00 C ATOM 430 C1' DT B 14 -2.089 5.885 5.924 1.00 0.00 C ATOM 431 N1 DT B 14 -1.954 4.428 5.653 1.00 0.00 N ATOM 432 C2 DT B 14 -0.718 3.825 5.909 1.00 0.00 C ATOM 433 O2 DT B 14 0.278 4.437 6.277 1.00 0.00 O ATOM 434 N3 DT B 14 -0.644 2.462 5.722 1.00 0.00 N ATOM 435 C4 DT B 14 -1.670 1.655 5.278 1.00 0.00 C ATOM 436 O4 DT B 14 -1.464 0.452 5.167 1.00 0.00 O ATOM 437 C5 DT B 14 -2.922 2.349 4.988 1.00 0.00 C ATOM 438 C7 DT B 14 -4.118 1.573 4.459 1.00 0.00 C ATOM 439 C6 DT B 14 -3.026 3.689 5.190 1.00 0.00 C ATOM 0 H5' DT B 14 -5.440 6.421 7.889 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.840 7.730 6.795 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.608 7.978 7.601 1.00 0.00 H new ATOM 0 H3' DT B 14 -4.124 8.322 4.916 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.446 6.096 4.223 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.952 6.993 4.044 1.00 0.00 H new ATOM 0 H1' DT B 14 -1.075 6.249 6.088 1.00 0.00 H new ATOM 0 H3 DT B 14 0.247 2.011 5.930 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.770 0.720 3.876 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.721 1.219 5.295 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.722 2.223 3.826 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.963 4.185 4.985 1.00 0.00 H new ATOM 452 P DA B 15 -1.762 9.813 4.575 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.427 11.134 5.148 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.643 9.719 3.391 1.00 0.00 O ATOM 455 O5' DA B 15 -0.385 9.040 4.241 1.00 0.00 O ATOM 456 C5' DA B 15 0.707 9.078 5.147 1.00 0.00 C ATOM 457 C4' DA B 15 1.930 8.308 4.630 1.00 0.00 C ATOM 458 O4' DA B 15 1.666 6.910 4.634 1.00 0.00 O ATOM 459 C3' DA B 15 2.351 8.710 3.211 1.00 0.00 C ATOM 460 O3' DA B 15 3.741 9.004 3.201 1.00 0.00 O ATOM 461 C2' DA B 15 2.016 7.457 2.417 1.00 0.00 C ATOM 462 C1' DA B 15 2.204 6.350 3.453 1.00 0.00 C ATOM 463 N9 DA B 15 1.485 5.095 3.119 1.00 0.00 N ATOM 464 C8 DA B 15 0.184 4.942 2.705 1.00 0.00 C ATOM 465 N7 DA B 15 -0.190 3.703 2.533 1.00 0.00 N ATOM 466 C5 DA B 15 0.965 2.978 2.852 1.00 0.00 C ATOM 467 C6 DA B 15 1.284 1.601 2.894 1.00 0.00 C ATOM 468 N6 DA B 15 0.413 0.635 2.659 1.00 0.00 N ATOM 469 N1 DA B 15 2.523 1.197 3.198 1.00 0.00 N ATOM 470 C2 DA B 15 3.428 2.126 3.485 1.00 0.00 C ATOM 471 N3 DA B 15 3.270 3.448 3.505 1.00 0.00 N ATOM 472 C4 DA B 15 1.998 3.816 3.184 1.00 0.00 C ATOM 0 H5' DA B 15 0.396 8.658 6.103 1.00 0.00 H new ATOM 0 H5'' DA B 15 0.986 10.116 5.330 1.00 0.00 H new ATOM 0 H4' DA B 15 2.747 8.561 5.306 1.00 0.00 H new ATOM 0 H3' DA B 15 1.862 9.598 2.811 1.00 0.00 H new ATOM 0 H2' DA B 15 0.997 7.482 2.030 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.679 7.329 1.561 1.00 0.00 H new ATOM 0 H1' DA B 15 3.252 6.058 3.525 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.476 5.780 2.535 1.00 0.00 H new ATOM 0 H61 DA B 15 0.708 -0.340 2.705 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.554 0.865 2.431 1.00 0.00 H new ATOM 0 H2 DA B 15 4.415 1.764 3.733 1.00 0.00 H new ATOM 484 P DC B 16 4.490 9.593 1.896 1.00 0.00 P ATOM 485 OP1 DC B 16 5.605 10.459 2.332 1.00 0.00 O ATOM 486 OP2 DC B 16 3.477 10.103 0.946 1.00 0.00 O ATOM 487 O5' DC B 16 5.116 8.253 1.273 1.00 0.00 O ATOM 488 C5' DC B 16 6.248 7.640 1.864 1.00 0.00 C ATOM 489 C4' DC B 16 6.627 6.354 1.128 1.00 0.00 C ATOM 490 O4' DC B 16 5.754 5.298 1.477 1.00 0.00 O ATOM 491 C3' DC B 16 6.559 6.457 -0.397 1.00 0.00 C ATOM 492 O3' DC B 16 7.734 7.020 -0.950 1.00 0.00 O ATOM 493 C2' DC B 16 6.410 4.992 -0.789 1.00 0.00 C ATOM 494 C1' DC B 16 5.798 4.324 0.450 1.00 0.00 C ATOM 495 N1 DC B 16 4.420 3.833 0.194 1.00 0.00 N ATOM 496 C2 DC B 16 4.192 2.455 0.148 1.00 0.00 C ATOM 497 O2 DC B 16 5.097 1.643 0.331 1.00 0.00 O ATOM 498 N3 DC B 16 2.951 1.983 -0.119 1.00 0.00 N ATOM 499 C4 DC B 16 1.964 2.836 -0.329 1.00 0.00 C ATOM 500 N4 DC B 16 0.782 2.305 -0.512 1.00 0.00 N ATOM 501 C5 DC B 16 2.146 4.251 -0.321 1.00 0.00 C ATOM 502 C6 DC B 16 3.396 4.713 -0.051 1.00 0.00 C ATOM 0 H5' DC B 16 6.039 7.416 2.910 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.090 8.333 1.849 1.00 0.00 H new ATOM 0 H4' DC B 16 7.658 6.171 1.432 1.00 0.00 H new ATOM 0 H3' DC B 16 5.760 7.106 -0.756 1.00 0.00 H new ATOM 0 H2' DC B 16 5.766 4.878 -1.661 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.373 4.549 -1.044 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.648 7.065 -1.925 1.00 0.00 H new ATOM 0 H1' DC B 16 6.407 3.463 0.726 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.026 2.905 -0.680 1.00 0.00 H new ATOM 0 H42 DC B 16 0.669 1.292 -0.487 1.00 0.00 H new ATOM 0 H5 DC B 16 1.327 4.926 -0.521 1.00 0.00 H new ATOM 0 H6 DC B 16 3.584 5.776 -0.029 1.00 0.00 H new TER 515 DC B 16