USER MOD reduce.3.24.130724 H: found=0, std=0, add=170, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 170 hydrogens (30 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 DA O5' : rot 35:sc= 0.00909 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.0118 (180deg=-0.554) USER MOD Single : A 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DA O5' : rot 21:sc= 0.00222 USER MOD Single : B 2 DT C7 :methyl -30:sc=-0.00292 (180deg=-0.005) USER MOD Single : B 6 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -3.802 7.791 -13.070 1.00 10.00 O ATOM 2 C5' DA A 1 -5.011 8.458 -12.777 1.00 10.00 C ATOM 3 C4' DA A 1 -5.688 7.838 -11.551 1.00 10.00 C ATOM 4 O4' DA A 1 -5.914 6.453 -11.748 1.00 10.00 O ATOM 5 C3' DA A 1 -4.842 7.932 -10.283 1.00 10.00 C ATOM 6 O3' DA A 1 -5.004 9.192 -9.655 1.00 10.00 O ATOM 7 C2' DA A 1 -5.400 6.777 -9.458 1.00 10.00 C ATOM 8 C1' DA A 1 -6.030 5.830 -10.479 1.00 10.00 C ATOM 9 N9 DA A 1 -5.356 4.520 -10.476 1.00 10.00 N ATOM 10 C8 DA A 1 -4.188 4.199 -11.094 1.00 10.00 C ATOM 11 N7 DA A 1 -3.853 2.941 -11.012 1.00 10.00 N ATOM 12 C5 DA A 1 -4.883 2.387 -10.258 1.00 10.00 C ATOM 13 C6 DA A 1 -5.153 1.075 -9.814 1.00 10.00 C ATOM 14 N6 DA A 1 -4.376 0.029 -10.119 1.00 10.00 N ATOM 15 N1 DA A 1 -6.247 0.871 -9.055 1.00 10.00 N ATOM 16 C2 DA A 1 -7.033 1.903 -8.757 1.00 10.00 C ATOM 17 N3 DA A 1 -6.901 3.175 -9.126 1.00 10.00 N ATOM 18 C4 DA A 1 -5.789 3.353 -9.891 1.00 10.00 C ATOM 0 H5' DA A 1 -5.680 8.402 -13.635 1.00 10.00 H new ATOM 0 H5'' DA A 1 -4.814 9.514 -12.595 1.00 10.00 H new ATOM 0 H4' DA A 1 -6.612 8.403 -11.430 1.00 10.00 H new ATOM 0 H3' DA A 1 -3.766 7.859 -10.443 1.00 10.00 H new ATOM 0 H2' DA A 1 -4.612 6.280 -8.892 1.00 10.00 H new ATOM 0 H2'' DA A 1 -6.138 7.128 -8.737 1.00 10.00 H new ATOM 0 HO5' DA A 1 -3.897 6.837 -12.865 1.00 10.00 H new ATOM 0 H1' DA A 1 -7.075 5.644 -10.232 1.00 10.00 H new ATOM 0 H8 DA A 1 -3.584 4.929 -11.613 1.00 10.00 H new ATOM 0 H61 DA A 1 -4.614 -0.901 -9.774 1.00 10.00 H new ATOM 0 H62 DA A 1 -3.546 0.162 -10.697 1.00 10.00 H new ATOM 0 H2 DA A 1 -7.888 1.680 -8.136 1.00 10.00 H new ATOM 31 P DT A 2 -4.047 9.673 -8.444 1.00 10.00 P ATOM 32 OP1 DT A 2 -4.404 11.069 -8.105 1.00 10.00 O ATOM 33 OP2 DT A 2 -2.650 9.343 -8.804 1.00 10.00 O ATOM 34 O5' DT A 2 -4.479 8.726 -7.215 1.00 10.00 O ATOM 35 C5' DT A 2 -5.649 8.971 -6.453 1.00 10.00 C ATOM 36 C4' DT A 2 -5.871 7.803 -5.487 1.00 10.00 C ATOM 37 O4' DT A 2 -5.891 6.584 -6.207 1.00 10.00 O ATOM 38 C3' DT A 2 -4.749 7.678 -4.453 1.00 10.00 C ATOM 39 O3' DT A 2 -5.101 8.359 -3.258 1.00 10.00 O ATOM 40 C2' DT A 2 -4.607 6.173 -4.264 1.00 10.00 C ATOM 41 C1' DT A 2 -5.478 5.537 -5.352 1.00 10.00 C ATOM 42 N1 DT A 2 -4.708 4.534 -6.128 1.00 10.00 N ATOM 43 C2 DT A 2 -5.104 3.197 -6.126 1.00 10.00 C ATOM 44 O2 DT A 2 -6.106 2.788 -5.545 1.00 10.00 O ATOM 45 N3 DT A 2 -4.287 2.319 -6.825 1.00 10.00 N ATOM 46 C4 DT A 2 -3.134 2.655 -7.522 1.00 10.00 C ATOM 47 O4 DT A 2 -2.471 1.773 -8.062 1.00 10.00 O ATOM 48 C5 DT A 2 -2.827 4.077 -7.521 1.00 10.00 C ATOM 49 C7 DT A 2 -1.640 4.606 -8.302 1.00 10.00 C ATOM 50 C6 DT A 2 -3.606 4.946 -6.829 1.00 10.00 C ATOM 0 H5' DT A 2 -6.510 9.083 -7.112 1.00 10.00 H new ATOM 0 H5'' DT A 2 -5.548 9.904 -5.898 1.00 10.00 H new ATOM 0 H4' DT A 2 -6.816 8.000 -4.980 1.00 10.00 H new ATOM 0 H3' DT A 2 -3.807 8.131 -4.761 1.00 10.00 H new ATOM 0 H2' DT A 2 -3.567 5.862 -4.363 1.00 10.00 H new ATOM 0 H2'' DT A 2 -4.937 5.870 -3.270 1.00 10.00 H new ATOM 0 H1' DT A 2 -6.329 5.023 -4.905 1.00 10.00 H new ATOM 0 H3 DT A 2 -4.559 1.336 -6.827 1.00 10.00 H new ATOM 0 H71 DT A 2 -0.864 3.842 -8.347 1.00 10.00 H new ATOM 0 H72 DT A 2 -1.955 4.863 -9.313 1.00 10.00 H new ATOM 0 H73 DT A 2 -1.246 5.494 -7.808 1.00 10.00 H new ATOM 0 H6 DT A 2 -3.349 5.995 -6.831 1.00 10.00 H new ATOM 63 P DG A 3 -4.143 8.391 -1.952 1.00 10.00 P ATOM 64 OP1 DG A 3 -4.414 9.647 -1.218 1.00 10.00 O ATOM 65 OP2 DG A 3 -2.760 8.079 -2.378 1.00 10.00 O ATOM 66 O5' DG A 3 -4.662 7.161 -1.038 1.00 10.00 O ATOM 67 C5' DG A 3 -5.966 7.129 -0.482 1.00 10.00 C ATOM 68 C4' DG A 3 -6.110 5.941 0.483 1.00 10.00 C ATOM 69 O4' DG A 3 -5.509 4.767 -0.055 1.00 10.00 O ATOM 70 C3' DG A 3 -5.454 6.228 1.836 1.00 10.00 C ATOM 71 O3' DG A 3 -6.277 5.692 2.861 1.00 10.00 O ATOM 72 C2' DG A 3 -4.122 5.503 1.703 1.00 10.00 C ATOM 73 C1' DG A 3 -4.479 4.310 0.812 1.00 10.00 C ATOM 74 N9 DG A 3 -3.322 3.825 0.016 1.00 10.00 N ATOM 75 C8 DG A 3 -2.426 4.565 -0.717 1.00 10.00 C ATOM 76 N7 DG A 3 -1.493 3.864 -1.295 1.00 10.00 N ATOM 77 C5 DG A 3 -1.791 2.557 -0.939 1.00 10.00 C ATOM 78 C6 DG A 3 -1.107 1.348 -1.265 1.00 10.00 C ATOM 79 O6 DG A 3 -0.078 1.224 -1.924 1.00 10.00 O ATOM 80 N1 DG A 3 -1.740 0.219 -0.756 1.00 10.00 N ATOM 81 C2 DG A 3 -2.897 0.255 0.001 1.00 10.00 C ATOM 82 N2 DG A 3 -3.381 -0.919 0.419 1.00 10.00 N ATOM 83 N3 DG A 3 -3.523 1.397 0.343 1.00 10.00 N ATOM 84 C4 DG A 3 -2.926 2.514 -0.160 1.00 10.00 C ATOM 0 H5' DG A 3 -6.706 7.050 -1.279 1.00 10.00 H new ATOM 0 H5'' DG A 3 -6.165 8.061 0.047 1.00 10.00 H new ATOM 0 H4' DG A 3 -7.180 5.787 0.621 1.00 10.00 H new ATOM 0 H3' DG A 3 -5.319 7.280 2.088 1.00 10.00 H new ATOM 0 H2' DG A 3 -3.360 6.135 1.248 1.00 10.00 H new ATOM 0 H2'' DG A 3 -3.735 5.185 2.671 1.00 10.00 H new ATOM 0 H1' DG A 3 -4.792 3.466 1.427 1.00 10.00 H new ATOM 0 H8 DG A 3 -2.490 5.639 -0.806 1.00 10.00 H new ATOM 0 H1 DG A 3 -1.325 -0.692 -0.953 1.00 10.00 H new ATOM 0 H21 DG A 3 -4.232 -0.949 0.981 1.00 10.00 H new ATOM 0 H22 DG A 3 -2.899 -1.785 0.176 1.00 10.00 H new ATOM 96 P DC A 4 -5.967 5.915 4.433 1.00 10.00 P ATOM 97 OP1 DC A 4 -7.250 6.157 5.129 1.00 10.00 O ATOM 98 OP2 DC A 4 -4.862 6.890 4.568 1.00 10.00 O ATOM 99 O5' DC A 4 -5.414 4.470 4.875 1.00 10.00 O ATOM 100 C5' DC A 4 -6.291 3.380 5.096 1.00 10.00 C ATOM 101 C4' DC A 4 -5.483 2.086 5.213 1.00 10.00 C ATOM 102 O4' DC A 4 -4.705 1.927 4.043 1.00 10.00 O ATOM 103 C3' DC A 4 -4.502 2.059 6.390 1.00 10.00 C ATOM 104 O3' DC A 4 -5.074 1.435 7.533 1.00 10.00 O ATOM 105 C2' DC A 4 -3.192 1.529 5.808 1.00 10.00 C ATOM 106 C1' DC A 4 -3.556 1.169 4.366 1.00 10.00 C ATOM 107 N1 DC A 4 -2.442 1.567 3.474 1.00 10.00 N ATOM 108 C2 DC A 4 -1.603 0.597 2.920 1.00 10.00 C ATOM 109 O2 DC A 4 -1.780 -0.601 3.129 1.00 10.00 O ATOM 110 N3 DC A 4 -0.565 1.014 2.138 1.00 10.00 N ATOM 111 C4 DC A 4 -0.337 2.321 1.934 1.00 10.00 C ATOM 112 N4 DC A 4 0.704 2.680 1.185 1.00 10.00 N ATOM 113 C5 DC A 4 -1.166 3.330 2.523 1.00 10.00 C ATOM 114 C6 DC A 4 -2.198 2.901 3.276 1.00 10.00 C ATOM 0 H5' DC A 4 -7.004 3.302 4.276 1.00 10.00 H new ATOM 0 H5'' DC A 4 -6.868 3.544 6.006 1.00 10.00 H new ATOM 0 H4' DC A 4 -6.216 1.294 5.363 1.00 10.00 H new ATOM 0 H3' DC A 4 -4.268 3.030 6.827 1.00 10.00 H new ATOM 0 H2' DC A 4 -2.404 2.281 5.846 1.00 10.00 H new ATOM 0 H2'' DC A 4 -2.831 0.660 6.359 1.00 10.00 H new ATOM 0 H1' DC A 4 -3.738 0.100 4.251 1.00 10.00 H new ATOM 0 H41 DC A 4 0.895 3.668 1.017 1.00 10.00 H new ATOM 0 H42 DC A 4 1.310 1.967 0.779 1.00 10.00 H new ATOM 0 H5 DC A 4 -0.974 4.382 2.371 1.00 10.00 H new ATOM 0 H6 DC A 4 -2.851 3.628 3.736 1.00 10.00 H new ATOM 126 P DA A 5 -4.861 -0.112 7.958 1.00 10.00 P ATOM 127 OP1 DA A 5 -5.009 -0.927 6.730 1.00 10.00 O ATOM 128 OP2 DA A 5 -5.743 -0.383 9.114 1.00 10.00 O ATOM 129 O5' DA A 5 -3.333 -0.253 8.473 1.00 10.00 O ATOM 130 C5' DA A 5 -2.672 -1.501 8.378 1.00 10.00 C ATOM 131 C4' DA A 5 -1.233 -1.493 8.907 1.00 10.00 C ATOM 132 O4' DA A 5 -0.340 -0.782 8.063 1.00 10.00 O ATOM 133 C3' DA A 5 -1.043 -0.905 10.312 1.00 10.00 C ATOM 134 O3' DA A 5 -1.093 -1.944 11.278 1.00 10.00 O ATOM 135 C2' DA A 5 0.321 -0.201 10.216 1.00 10.00 C ATOM 136 C1' DA A 5 0.835 -0.540 8.817 1.00 10.00 C ATOM 137 N9 DA A 5 1.678 0.521 8.231 1.00 10.00 N ATOM 138 C8 DA A 5 1.386 1.847 8.102 1.00 10.00 C ATOM 139 N7 DA A 5 2.274 2.536 7.439 1.00 10.00 N ATOM 140 C5 DA A 5 3.236 1.588 7.105 1.00 10.00 C ATOM 141 C6 DA A 5 4.427 1.645 6.349 1.00 10.00 C ATOM 142 N6 DA A 5 4.864 2.759 5.750 1.00 10.00 N ATOM 143 N1 DA A 5 5.143 0.515 6.200 1.00 10.00 N ATOM 144 C2 DA A 5 4.708 -0.610 6.762 1.00 10.00 C ATOM 145 N3 DA A 5 3.605 -0.798 7.481 1.00 10.00 N ATOM 146 C4 DA A 5 2.897 0.358 7.614 1.00 10.00 C ATOM 0 H5' DA A 5 -2.662 -1.815 7.334 1.00 10.00 H new ATOM 0 H5'' DA A 5 -3.246 -2.246 8.929 1.00 10.00 H new ATOM 0 H4' DA A 5 -1.008 -2.559 8.936 1.00 10.00 H new ATOM 0 H3' DA A 5 -1.817 -0.206 10.628 1.00 10.00 H new ATOM 0 H2' DA A 5 0.221 0.876 10.351 1.00 10.00 H new ATOM 0 H2'' DA A 5 1.005 -0.557 10.986 1.00 10.00 H new ATOM 0 H1' DA A 5 1.501 -1.403 8.832 1.00 10.00 H new ATOM 0 H8 DA A 5 0.492 2.291 8.515 1.00 10.00 H new ATOM 0 H61 DA A 5 5.733 2.743 5.215 1.00 10.00 H new ATOM 0 H62 DA A 5 4.328 3.624 5.828 1.00 10.00 H new ATOM 0 H2 DA A 5 5.330 -1.481 6.616 1.00 10.00 H new ATOM 158 P DT A 6 -0.882 -1.677 12.860 1.00 10.00 P ATOM 159 OP1 DT A 6 -1.503 -2.792 13.608 1.00 10.00 O ATOM 160 OP2 DT A 6 -1.266 -0.280 13.164 1.00 10.00 O ATOM 161 O5' DT A 6 0.718 -1.803 13.013 1.00 10.00 O ATOM 162 C5' DT A 6 1.374 -3.040 12.816 1.00 10.00 C ATOM 163 C4' DT A 6 2.885 -2.841 12.676 1.00 10.00 C ATOM 164 O4' DT A 6 3.191 -2.083 11.522 1.00 10.00 O ATOM 165 C3' DT A 6 3.532 -2.064 13.822 1.00 10.00 C ATOM 166 O3' DT A 6 3.856 -2.903 14.910 1.00 10.00 O ATOM 167 C2' DT A 6 4.781 -1.479 13.163 1.00 10.00 C ATOM 168 C1' DT A 6 4.524 -1.628 11.656 1.00 10.00 C ATOM 169 N1 DT A 6 4.706 -0.338 10.936 1.00 10.00 N ATOM 170 C2 DT A 6 5.723 -0.232 9.986 1.00 10.00 C ATOM 171 O2 DT A 6 6.458 -1.166 9.674 1.00 10.00 O ATOM 172 N3 DT A 6 5.878 1.011 9.391 1.00 10.00 N ATOM 173 C4 DT A 6 5.121 2.143 9.650 1.00 10.00 C ATOM 174 O4 DT A 6 5.365 3.191 9.056 1.00 10.00 O ATOM 175 C5 DT A 6 4.071 1.946 10.635 1.00 10.00 C ATOM 176 C7 DT A 6 3.170 3.107 11.007 1.00 10.00 C ATOM 177 C6 DT A 6 3.904 0.739 11.233 1.00 10.00 C ATOM 0 H5' DT A 6 0.983 -3.525 11.922 1.00 10.00 H new ATOM 0 H5'' DT A 6 1.167 -3.704 13.655 1.00 10.00 H new ATOM 0 H4' DT A 6 3.272 -3.860 12.648 1.00 10.00 H new ATOM 0 H3' DT A 6 2.877 -1.307 14.253 1.00 10.00 H new ATOM 0 H2' DT A 6 4.924 -0.435 13.440 1.00 10.00 H new ATOM 0 H2'' DT A 6 5.679 -2.016 13.468 1.00 10.00 H new ATOM 0 HO3' DT A 6 4.269 -2.371 15.622 1.00 10.00 H new ATOM 0 H1' DT A 6 5.235 -2.328 11.217 1.00 10.00 H new ATOM 0 H3 DT A 6 6.620 1.101 8.697 1.00 10.00 H new ATOM 0 H71 DT A 6 2.188 2.729 11.292 1.00 10.00 H new ATOM 0 H72 DT A 6 3.606 3.652 11.844 1.00 10.00 H new ATOM 0 H73 DT A 6 3.067 3.776 10.153 1.00 10.00 H new ATOM 0 H6 DT A 6 3.118 0.621 11.964 1.00 10.00 H new TER 191 DT A 6 ATOM 192 O5' DA B 1 15.221 3.003 3.552 1.00 10.00 O ATOM 193 C5' DA B 1 15.808 1.764 3.890 1.00 10.00 C ATOM 194 C4' DA B 1 14.736 0.707 4.170 1.00 10.00 C ATOM 195 O4' DA B 1 13.868 1.123 5.211 1.00 10.00 O ATOM 196 C3' DA B 1 13.826 0.436 2.974 1.00 10.00 C ATOM 197 O3' DA B 1 14.421 -0.485 2.076 1.00 10.00 O ATOM 198 C2' DA B 1 12.581 -0.119 3.658 1.00 10.00 C ATOM 199 C1' DA B 1 12.644 0.416 5.088 1.00 10.00 C ATOM 200 N9 DA B 1 11.497 1.294 5.382 1.00 10.00 N ATOM 201 C8 DA B 1 11.356 2.601 5.033 1.00 10.00 C ATOM 202 N7 DA B 1 10.279 3.175 5.491 1.00 10.00 N ATOM 203 C5 DA B 1 9.644 2.152 6.188 1.00 10.00 C ATOM 204 C6 DA B 1 8.443 2.091 6.927 1.00 10.00 C ATOM 205 N6 DA B 1 7.649 3.151 7.114 1.00 10.00 N ATOM 206 N1 DA B 1 8.084 0.909 7.464 1.00 10.00 N ATOM 207 C2 DA B 1 8.869 -0.151 7.287 1.00 10.00 C ATOM 208 N3 DA B 1 10.025 -0.221 6.630 1.00 10.00 N ATOM 209 C4 DA B 1 10.364 0.985 6.097 1.00 10.00 C ATOM 0 H5' DA B 1 16.442 1.886 4.768 1.00 10.00 H new ATOM 0 H5'' DA B 1 16.451 1.428 3.076 1.00 10.00 H new ATOM 0 H4' DA B 1 15.301 -0.189 4.428 1.00 10.00 H new ATOM 0 H3' DA B 1 13.618 1.306 2.352 1.00 10.00 H new ATOM 0 H2' DA B 1 11.673 0.211 3.153 1.00 10.00 H new ATOM 0 H2'' DA B 1 12.576 -1.209 3.644 1.00 10.00 H new ATOM 0 HO5' DA B 1 14.300 3.031 3.887 1.00 10.00 H new ATOM 0 H1' DA B 1 12.596 -0.404 5.804 1.00 10.00 H new ATOM 0 H8 DA B 1 12.080 3.122 4.424 1.00 10.00 H new ATOM 0 H61 DA B 1 6.790 3.056 7.656 1.00 10.00 H new ATOM 0 H62 DA B 1 7.902 4.055 6.714 1.00 10.00 H new ATOM 0 H2 DA B 1 8.524 -1.072 7.733 1.00 10.00 H new ATOM 222 P DT B 2 13.815 -0.753 0.600 1.00 10.00 P ATOM 223 OP1 DT B 2 14.731 -1.673 -0.109 1.00 10.00 O ATOM 224 OP2 DT B 2 13.481 0.557 -0.003 1.00 10.00 O ATOM 225 O5' DT B 2 12.435 -1.534 0.887 1.00 10.00 O ATOM 226 C5' DT B 2 12.406 -2.915 1.201 1.00 10.00 C ATOM 227 C4' DT B 2 10.983 -3.313 1.606 1.00 10.00 C ATOM 228 O4' DT B 2 10.533 -2.473 2.652 1.00 10.00 O ATOM 229 C3' DT B 2 9.977 -3.160 0.463 1.00 10.00 C ATOM 230 O3' DT B 2 9.819 -4.393 -0.223 1.00 10.00 O ATOM 231 C2' DT B 2 8.704 -2.712 1.173 1.00 10.00 C ATOM 232 C1' DT B 2 9.121 -2.406 2.613 1.00 10.00 C ATOM 233 N1 DT B 2 8.673 -1.050 3.010 1.00 10.00 N ATOM 234 C2 DT B 2 7.756 -0.899 4.049 1.00 10.00 C ATOM 235 O2 DT B 2 7.311 -1.839 4.702 1.00 10.00 O ATOM 236 N3 DT B 2 7.350 0.401 4.314 1.00 10.00 N ATOM 237 C4 DT B 2 7.763 1.542 3.643 1.00 10.00 C ATOM 238 O4 DT B 2 7.274 2.631 3.938 1.00 10.00 O ATOM 239 C5 DT B 2 8.759 1.300 2.612 1.00 10.00 C ATOM 240 C7 DT B 2 9.361 2.457 1.838 1.00 10.00 C ATOM 241 C6 DT B 2 9.159 0.035 2.329 1.00 10.00 C ATOM 0 H5' DT B 2 13.101 -3.130 2.013 1.00 10.00 H new ATOM 0 H5'' DT B 2 12.729 -3.502 0.341 1.00 10.00 H new ATOM 0 H4' DT B 2 11.034 -4.360 1.905 1.00 10.00 H new ATOM 0 H3' DT B 2 10.281 -2.449 -0.305 1.00 10.00 H new ATOM 0 H2' DT B 2 8.277 -1.831 0.693 1.00 10.00 H new ATOM 0 H2'' DT B 2 7.943 -3.492 1.143 1.00 10.00 H new ATOM 0 H1' DT B 2 8.669 -3.119 3.303 1.00 10.00 H new ATOM 0 H3 DT B 2 6.684 0.530 5.076 1.00 10.00 H new ATOM 0 H71 DT B 2 8.633 3.265 1.767 1.00 10.00 H new ATOM 0 H72 DT B 2 10.252 2.816 2.354 1.00 10.00 H new ATOM 0 H73 DT B 2 9.632 2.123 0.836 1.00 10.00 H new ATOM 0 H6 DT B 2 9.883 -0.122 1.543 1.00 10.00 H new ATOM 254 P DG B 3 8.822 -4.572 -1.488 1.00 10.00 P ATOM 255 OP1 DG B 3 9.357 -5.662 -2.334 1.00 10.00 O ATOM 256 OP2 DG B 3 8.586 -3.238 -2.085 1.00 10.00 O ATOM 257 O5' DG B 3 7.422 -5.078 -0.852 1.00 10.00 O ATOM 258 C5' DG B 3 7.285 -6.347 -0.234 1.00 10.00 C ATOM 259 C4' DG B 3 5.803 -6.677 -0.001 1.00 10.00 C ATOM 260 O4' DG B 3 5.087 -5.565 0.528 1.00 10.00 O ATOM 261 C3' DG B 3 5.113 -7.096 -1.302 1.00 10.00 C ATOM 262 O3' DG B 3 4.233 -8.167 -0.999 1.00 10.00 O ATOM 263 C2' DG B 3 4.397 -5.816 -1.711 1.00 10.00 C ATOM 264 C1' DG B 3 4.034 -5.203 -0.358 1.00 10.00 C ATOM 265 N9 DG B 3 3.903 -3.727 -0.404 1.00 10.00 N ATOM 266 C8 DG B 3 4.720 -2.813 -1.021 1.00 10.00 C ATOM 267 N7 DG B 3 4.317 -1.577 -0.919 1.00 10.00 N ATOM 268 C5 DG B 3 3.165 -1.667 -0.148 1.00 10.00 C ATOM 269 C6 DG B 3 2.274 -0.640 0.287 1.00 10.00 C ATOM 270 O6 DG B 3 2.334 0.561 0.035 1.00 10.00 O ATOM 271 N1 DG B 3 1.245 -1.125 1.088 1.00 10.00 N ATOM 272 C2 DG B 3 1.074 -2.459 1.407 1.00 10.00 C ATOM 273 N2 DG B 3 0.025 -2.770 2.175 1.00 10.00 N ATOM 274 N3 DG B 3 1.888 -3.434 0.964 1.00 10.00 N ATOM 275 C4 DG B 3 2.916 -2.975 0.198 1.00 10.00 C ATOM 0 H5' DG B 3 7.819 -6.354 0.716 1.00 10.00 H new ATOM 0 H5'' DG B 3 7.740 -7.114 -0.861 1.00 10.00 H new ATOM 0 H4' DG B 3 5.790 -7.498 0.716 1.00 10.00 H new ATOM 0 H3' DG B 3 5.758 -7.458 -2.103 1.00 10.00 H new ATOM 0 H2' DG B 3 5.040 -5.159 -2.296 1.00 10.00 H new ATOM 0 H2'' DG B 3 3.514 -6.019 -2.316 1.00 10.00 H new ATOM 0 H1' DG B 3 3.061 -5.575 -0.037 1.00 10.00 H new ATOM 0 H8 DG B 3 5.621 -3.094 -1.547 1.00 10.00 H new ATOM 0 H1 DG B 3 0.575 -0.454 1.463 1.00 10.00 H new ATOM 0 H21 DG B 3 -0.144 -3.741 2.438 1.00 10.00 H new ATOM 0 H22 DG B 3 -0.606 -2.036 2.498 1.00 10.00 H new ATOM 287 P DC B 4 3.381 -8.945 -2.128 1.00 10.00 P ATOM 288 OP1 DC B 4 3.328 -10.379 -1.765 1.00 10.00 O ATOM 289 OP2 DC B 4 3.877 -8.541 -3.463 1.00 10.00 O ATOM 290 O5' DC B 4 1.916 -8.313 -1.925 1.00 10.00 O ATOM 291 C5' DC B 4 1.063 -8.735 -0.874 1.00 10.00 C ATOM 292 C4' DC B 4 -0.179 -7.839 -0.828 1.00 10.00 C ATOM 293 O4' DC B 4 0.275 -6.516 -0.616 1.00 10.00 O ATOM 294 C3' DC B 4 -0.931 -7.876 -2.179 1.00 10.00 C ATOM 295 O3' DC B 4 -2.233 -8.439 -2.335 1.00 10.00 O ATOM 296 C2' DC B 4 -1.182 -6.389 -2.425 1.00 10.00 C ATOM 297 C1' DC B 4 -0.668 -5.647 -1.192 1.00 10.00 C ATOM 298 N1 DC B 4 -0.026 -4.377 -1.608 1.00 10.00 N ATOM 299 C2 DC B 4 -0.610 -3.150 -1.282 1.00 10.00 C ATOM 300 O2 DC B 4 -1.631 -3.081 -0.602 1.00 10.00 O ATOM 301 N3 DC B 4 -0.018 -2.009 -1.744 1.00 10.00 N ATOM 302 C4 DC B 4 1.088 -2.061 -2.504 1.00 10.00 C ATOM 303 N4 DC B 4 1.634 -0.916 -2.922 1.00 10.00 N ATOM 304 C5 DC B 4 1.700 -3.315 -2.846 1.00 10.00 C ATOM 305 C6 DC B 4 1.105 -4.432 -2.378 1.00 10.00 C ATOM 0 H5' DC B 4 1.592 -8.689 0.078 1.00 10.00 H new ATOM 0 H5'' DC B 4 0.769 -9.774 -1.026 1.00 10.00 H new ATOM 0 H4' DC B 4 -0.852 -8.180 -0.042 1.00 10.00 H new ATOM 0 H3' DC B 4 -0.310 -8.509 -2.813 1.00 10.00 H new ATOM 0 H2' DC B 4 -0.664 -6.052 -3.323 1.00 10.00 H new ATOM 0 H2'' DC B 4 -2.244 -6.196 -2.578 1.00 10.00 H new ATOM 0 H1' DC B 4 -1.462 -5.391 -0.491 1.00 10.00 H new ATOM 0 H41 DC B 4 2.474 -0.933 -3.500 1.00 10.00 H new ATOM 0 H42 DC B 4 1.211 -0.025 -2.663 1.00 10.00 H new ATOM 0 H5 DC B 4 2.594 -3.361 -3.449 1.00 10.00 H new ATOM 0 H6 DC B 4 1.532 -5.395 -2.617 1.00 10.00 H new ATOM 317 P DA B 5 -3.376 -8.603 -1.199 1.00 10.00 P ATOM 318 OP1 DA B 5 -3.064 -7.767 -0.018 1.00 10.00 O ATOM 319 OP2 DA B 5 -3.705 -10.036 -1.041 1.00 10.00 O ATOM 320 O5' DA B 5 -4.569 -7.871 -2.014 1.00 10.00 O ATOM 321 C5' DA B 5 -5.554 -7.094 -1.360 1.00 10.00 C ATOM 322 C4' DA B 5 -6.397 -6.281 -2.353 1.00 10.00 C ATOM 323 O4' DA B 5 -5.622 -5.322 -3.059 1.00 10.00 O ATOM 324 C3' DA B 5 -7.124 -7.115 -3.420 1.00 10.00 C ATOM 325 O3' DA B 5 -8.480 -7.293 -3.043 1.00 10.00 O ATOM 326 C2' DA B 5 -6.935 -6.295 -4.706 1.00 10.00 C ATOM 327 C1' DA B 5 -6.344 -4.972 -4.228 1.00 10.00 C ATOM 328 N9 DA B 5 -5.487 -4.313 -5.235 1.00 10.00 N ATOM 329 C8 DA B 5 -4.419 -4.846 -5.895 1.00 10.00 C ATOM 330 N7 DA B 5 -3.741 -3.994 -6.613 1.00 10.00 N ATOM 331 C5 DA B 5 -4.418 -2.795 -6.414 1.00 10.00 C ATOM 332 C6 DA B 5 -4.170 -1.469 -6.829 1.00 10.00 C ATOM 333 N6 DA B 5 -3.103 -1.122 -7.558 1.00 10.00 N ATOM 334 N1 DA B 5 -5.028 -0.506 -6.444 1.00 10.00 N ATOM 335 C2 DA B 5 -6.072 -0.834 -5.685 1.00 10.00 C ATOM 336 N3 DA B 5 -6.400 -2.033 -5.209 1.00 10.00 N ATOM 337 C4 DA B 5 -5.515 -2.988 -5.610 1.00 10.00 C ATOM 0 H5' DA B 5 -5.072 -6.417 -0.654 1.00 10.00 H new ATOM 0 H5'' DA B 5 -6.206 -7.748 -0.781 1.00 10.00 H new ATOM 0 H4' DA B 5 -7.136 -5.809 -1.706 1.00 10.00 H new ATOM 0 H3' DA B 5 -6.741 -8.127 -3.551 1.00 10.00 H new ATOM 0 H2' DA B 5 -6.267 -6.799 -5.404 1.00 10.00 H new ATOM 0 H2'' DA B 5 -7.882 -6.143 -5.224 1.00 10.00 H new ATOM 0 H1' DA B 5 -7.122 -4.232 -4.039 1.00 10.00 H new ATOM 0 H8 DA B 5 -4.155 -5.891 -5.828 1.00 10.00 H new ATOM 0 H61 DA B 5 -2.968 -0.149 -7.833 1.00 10.00 H new ATOM 0 H62 DA B 5 -2.425 -1.830 -7.838 1.00 10.00 H new ATOM 0 H2 DA B 5 -6.737 -0.024 -5.422 1.00 10.00 H new ATOM 349 P DT B 6 -9.542 -8.106 -3.955 1.00 10.00 P ATOM 350 OP1 DT B 6 -10.648 -8.562 -3.085 1.00 10.00 O ATOM 351 OP2 DT B 6 -8.806 -9.085 -4.786 1.00 10.00 O ATOM 352 O5' DT B 6 -10.110 -6.951 -4.924 1.00 10.00 O ATOM 353 C5' DT B 6 -10.880 -5.884 -4.407 1.00 10.00 C ATOM 354 C4' DT B 6 -11.041 -4.762 -5.436 1.00 10.00 C ATOM 355 O4' DT B 6 -9.799 -4.146 -5.720 1.00 10.00 O ATOM 356 C3' DT B 6 -11.566 -5.212 -6.799 1.00 10.00 C ATOM 357 O3' DT B 6 -12.977 -5.252 -6.827 1.00 10.00 O ATOM 358 C2' DT B 6 -11.013 -4.145 -7.745 1.00 10.00 C ATOM 359 C1' DT B 6 -9.967 -3.393 -6.908 1.00 10.00 C ATOM 360 N1 DT B 6 -8.672 -3.259 -7.628 1.00 10.00 N ATOM 361 C2 DT B 6 -8.226 -1.985 -7.982 1.00 10.00 C ATOM 362 O2 DT B 6 -8.834 -0.953 -7.709 1.00 10.00 O ATOM 363 N3 DT B 6 -7.028 -1.927 -8.679 1.00 10.00 N ATOM 364 C4 DT B 6 -6.244 -3.008 -9.051 1.00 10.00 C ATOM 365 O4 DT B 6 -5.194 -2.819 -9.662 1.00 10.00 O ATOM 366 C5 DT B 6 -6.774 -4.298 -8.643 1.00 10.00 C ATOM 367 C7 DT B 6 -6.019 -5.563 -8.999 1.00 10.00 C ATOM 368 C6 DT B 6 -7.945 -4.378 -7.961 1.00 10.00 C ATOM 0 H5' DT B 6 -10.403 -5.491 -3.509 1.00 10.00 H new ATOM 0 H5'' DT B 6 -11.862 -6.252 -4.111 1.00 10.00 H new ATOM 0 H4' DT B 6 -11.761 -4.095 -4.962 1.00 10.00 H new ATOM 0 H3' DT B 6 -11.257 -6.223 -7.065 1.00 10.00 H new ATOM 0 H2' DT B 6 -10.564 -4.594 -8.631 1.00 10.00 H new ATOM 0 H2'' DT B 6 -11.800 -3.475 -8.091 1.00 10.00 H new ATOM 0 HO3' DT B 6 -13.279 -5.542 -7.713 1.00 10.00 H new ATOM 0 H1' DT B 6 -10.303 -2.377 -6.701 1.00 10.00 H new ATOM 0 H3 DT B 6 -6.692 -1.001 -8.943 1.00 10.00 H new ATOM 0 H71 DT B 6 -6.201 -6.322 -8.238 1.00 10.00 H new ATOM 0 H72 DT B 6 -6.361 -5.931 -9.967 1.00 10.00 H new ATOM 0 H73 DT B 6 -4.952 -5.348 -9.049 1.00 10.00 H new ATOM 0 H6 DT B 6 -8.317 -5.350 -7.671 1.00 10.00 H new TER 382 DT B 6 HETATM 383 O11 NF A 7 0.086 -0.159 -5.477 1.00 10.00 O HETATM 384 C11 NF A 7 -0.895 0.296 -4.953 1.00 10.00 C HETATM 385 N21 NF A 7 -1.106 1.677 -4.897 1.00 10.00 N HETATM 386 C12 NF A 7 -0.070 2.562 -5.497 1.00 10.00 C HETATM 387 C31 NF A 7 -2.225 2.268 -4.298 1.00 10.00 C HETATM 388 O31 NF A 7 -2.350 3.462 -4.282 1.00 10.00 O HETATM 389 CX3 NF A 7 -3.243 1.367 -3.664 1.00 10.00 C HETATM 390 CXD NF A 7 -3.058 -0.038 -3.690 1.00 10.00 C HETATM 391 CXT NF A 7 -1.920 -0.595 -4.329 1.00 10.00 C HETATM 392 C91 NF A 7 -1.753 -1.959 -4.379 1.00 10.00 C HETATM 393 C81 NF A 7 -2.687 -2.812 -3.778 1.00 10.00 C HETATM 394 C71 NF A 7 -3.803 -2.297 -3.106 1.00 10.00 C HETATM 395 CXN NF A 7 -4.015 -0.891 -3.071 1.00 10.00 C HETATM 396 C61 NF A 7 -5.152 -0.309 -2.441 1.00 10.00 C HETATM 397 C51 NF A 7 -5.314 1.083 -2.439 1.00 10.00 C HETATM 398 C41 NF A 7 -4.353 1.904 -3.048 1.00 10.00 C HETATM 399 C22 NF A 7 0.963 3.086 -4.491 1.00 10.00 C HETATM 400 N32 NF A 7 0.384 4.122 -3.612 1.00 10.00 N HETATM 401 C42 NF A 7 1.340 4.919 -2.813 1.00 10.00 C HETATM 402 C52 NF A 7 1.840 4.196 -1.554 1.00 10.00 C HETATM 403 C62 NF A 7 3.205 3.513 -1.687 1.00 10.00 C HETATM 404 N72 NF A 7 3.656 3.026 -0.367 1.00 10.00 N HETATM 405 C82 NF A 7 5.016 2.459 -0.317 1.00 10.00 C HETATM 406 O13 NF A 7 3.345 3.096 2.598 1.00 10.00 O HETATM 407 C13 NF A 7 3.626 1.930 2.684 1.00 10.00 C HETATM 408 N23 NF A 7 4.711 1.405 1.975 1.00 10.00 N HETATM 409 C92 NF A 7 5.513 2.333 1.128 1.00 10.00 C HETATM 410 C33 NF A 7 5.088 0.058 2.015 1.00 10.00 C HETATM 411 O33 NF A 7 6.029 -0.336 1.380 1.00 10.00 O HETATM 412 CX5 NF A 7 4.277 -0.873 2.864 1.00 10.00 C HETATM 413 CXF NF A 7 3.161 -0.383 3.590 1.00 10.00 C HETATM 414 CXV NF A 7 2.815 0.992 3.525 1.00 10.00 C HETATM 415 C93 NF A 7 1.734 1.467 4.236 1.00 10.00 C HETATM 416 C83 NF A 7 0.948 0.599 5.011 1.00 10.00 C HETATM 417 C73 NF A 7 1.264 -0.764 5.092 1.00 10.00 C HETATM 418 CXP NF A 7 2.385 -1.276 4.382 1.00 10.00 C HETATM 419 C63 NF A 7 2.757 -2.649 4.437 1.00 10.00 C HETATM 420 C53 NF A 7 3.866 -3.104 3.711 1.00 10.00 C HETATM 421 C43 NF A 7 4.612 -2.208 2.931 1.00 10.00 C HETATM 0 H922 NF A 7 6.548 1.991 1.115 1.00 10.00 H new HETATM 0 H912 NF A 7 5.509 3.321 1.588 1.00 10.00 H new HETATM 0 H822 NF A 7 5.021 1.478 -0.793 1.00 10.00 H new HETATM 0 H812 NF A 7 5.698 3.092 -0.885 1.00 10.00 H new HETATM 0 H722 NF A 7 3.606 3.800 0.295 1.00 10.00 H new HETATM 0 H712 NF A 7 2.999 2.315 -0.045 1.00 10.00 H new HETATM 0 H622 NF A 7 3.138 2.681 -2.388 1.00 10.00 H new HETATM 0 H612 NF A 7 3.934 4.214 -2.094 1.00 10.00 H new HETATM 0 H522 NF A 7 1.891 4.917 -0.738 1.00 10.00 H new HETATM 0 H512 NF A 7 1.103 3.445 -1.270 1.00 10.00 H new HETATM 0 H422 NF A 7 2.195 5.178 -3.437 1.00 10.00 H new HETATM 0 H412 NF A 7 0.864 5.855 -2.520 1.00 10.00 H new HETATM 0 H322 NF A 7 -0.161 4.762 -4.189 1.00 10.00 H new HETATM 0 H312 NF A 7 -0.268 3.669 -2.971 1.00 10.00 H new HETATM 0 H222 NF A 7 1.335 2.259 -3.885 1.00 10.00 H new HETATM 0 H212 NF A 7 1.818 3.498 -5.027 1.00 10.00 H new HETATM 0 H122 NF A 7 0.449 2.014 -6.283 1.00 10.00 H new HETATM 0 H112 NF A 7 -0.563 3.411 -5.971 1.00 10.00 H new HETATM 0 H93 NF A 7 1.487 2.528 4.196 1.00 10.00 H new HETATM 0 H91 NF A 7 -0.887 -2.379 -4.890 1.00 10.00 H new HETATM 0 H83 NF A 7 0.086 0.988 5.553 1.00 10.00 H new HETATM 0 H81 NF A 7 -2.544 -3.891 -3.834 1.00 10.00 H new HETATM 0 H73 NF A 7 0.651 -1.431 5.698 1.00 10.00 H new HETATM 0 H71 NF A 7 -4.505 -2.970 -2.613 1.00 10.00 H new HETATM 0 H63 NF A 7 2.179 -3.346 5.044 1.00 10.00 H new HETATM 0 H61 NF A 7 -5.895 -0.946 -1.961 1.00 10.00 H new HETATM 0 H53 NF A 7 4.149 -4.156 3.752 1.00 10.00 H new HETATM 0 H51 NF A 7 -6.188 1.529 -1.964 1.00 10.00 H new HETATM 0 H43 NF A 7 5.471 -2.574 2.369 1.00 10.00 H new HETATM 0 H41 NF A 7 -4.487 2.986 -3.034 1.00 10.00 H new